data_25447 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25447 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 25447 _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 1 1 MET N N 1 120.668 120.668 114.923 5.745 25447 2 1 1 . 1 1 1 1 MET HA H 1 4.484 4.484 4.213 0.271 25447 3 1 1 . 1 1 1 1 MET CA C 1 55.257 55.257 56.831 -1.574 25447 4 1 1 . 1 1 1 1 MET CB C 1 34.517 34.517 33.126 1.391 25447 5 1 1 . 1 1 1 1 MET H H 1 8.313 8.313 7.779 0.534 25447 6 1 1 . 1 1 2 2 GLN N N 2 123.739 123.739 113.088 10.651 25447 7 1 1 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.726 0.304 25447 8 1 1 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.700 1.174 25447 9 1 1 . 1 1 2 2 GLN CB C 2 29.938 29.938 26.113 3.825 25447 10 1 1 . 1 1 2 2 GLN H H 2 9.455 9.455 7.631 1.824 25447 11 1 1 . 1 1 3 3 HIS N N 3 119.115 119.115 110.184 8.931 25447 12 1 1 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.220 0.896 25447 13 1 1 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.016 -0.522 25447 14 1 1 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.507 3.508 25447 15 1 1 . 1 1 3 3 HIS H H 3 9.783 9.783 8.250 1.533 25447 16 1 1 . 1 1 4 4 ALA N N 4 122.648 122.648 122.800 -0.152 25447 17 1 1 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.029 -0.126 25447 18 1 1 . 1 1 4 4 ALA CA C 4 56.479 56.479 54.587 1.893 25447 19 1 1 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.940 0.254 25447 20 1 1 . 1 1 4 4 ALA H H 4 7.551 7.551 8.438 -0.887 25447 21 1 1 . 1 1 5 5 SER N N 5 112.599 112.599 114.760 -2.161 25447 22 1 1 . 1 1 5 5 SER HA H 5 4.298 4.298 4.157 0.141 25447 23 1 1 . 1 1 5 5 SER CA C 5 62.117 62.117 62.053 0.064 25447 24 1 1 . 1 1 5 5 SER CB C 5 62.334 62.334 62.611 -0.277 25447 25 1 1 . 1 1 5 5 SER H H 5 8.736 8.736 8.409 0.327 25447 26 1 1 . 1 1 6 6 VAL N N 6 122.866 122.866 122.916 -0.050 25447 27 1 1 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.726 0.379 25447 28 1 1 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.422 -0.690 25447 29 1 1 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.862 0.875 25447 30 1 1 . 1 1 6 6 VAL H H 6 7.660 7.660 7.830 -0.170 25447 31 1 1 . 1 1 7 7 ILE N N 7 121.715 121.715 119.795 1.920 25447 32 1 1 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.050 0.174 25447 33 1 1 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.794 -0.465 25447 34 1 1 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.719 0.974 25447 35 1 1 . 1 1 7 7 ILE H H 7 8.519 8.519 7.674 0.845 25447 36 1 1 . 1 1 8 8 ALA N N 8 121.373 121.373 121.247 0.126 25447 37 1 1 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.016 -0.121 25447 38 1 1 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.282 0.975 25447 39 1 1 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.012 0.628 25447 40 1 1 . 1 1 8 8 ALA H H 8 8.940 8.940 8.018 0.922 25447 41 1 1 . 1 1 9 9 GLN N N 9 115.076 115.076 119.481 -4.405 25447 42 1 1 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.884 -0.014 25447 43 1 1 . 1 1 9 9 GLN CA C 9 59.192 59.192 59.099 0.093 25447 44 1 1 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.523 -0.385 25447 45 1 1 . 1 1 9 9 GLN H H 9 7.729 7.729 8.312 -0.583 25447 46 1 1 . 1 1 10 10 PHE N N 10 120.207 120.207 118.096 2.111 25447 47 1 1 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.859 0.226 25447 48 1 1 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.334 -0.440 25447 49 1 1 . 1 1 10 10 PHE CB C 10 38.932 38.932 37.904 1.028 25447 50 1 1 . 1 1 10 10 PHE H H 10 7.301 7.301 7.778 -0.477 25447 51 1 1 . 1 1 11 11 VAL N N 11 117.569 117.569 119.166 -1.597 25447 52 1 1 . 1 1 11 11 VAL HA H 11 3.307 3.307 4.221 -0.914 25447 53 1 1 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.213 1.295 25447 54 1 1 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.160 0.327 25447 55 1 1 . 1 1 11 11 VAL H H 11 8.370 8.370 7.806 0.564 25447 56 1 1 . 1 1 12 12 VAL N N 12 117.909 117.909 121.028 -3.119 25447 57 1 1 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.668 0.073 25447 58 1 1 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.855 -0.979 25447 59 1 1 . 1 1 12 12 VAL CB C 12 31.312 31.312 30.934 0.378 25447 60 1 1 . 1 1 12 12 VAL H H 12 8.294 8.294 8.556 -0.262 25447 61 1 1 . 1 1 13 13 GLU N N 13 117.918 117.918 118.151 -0.233 25447 62 1 1 . 1 1 13 13 GLU HA H 13 3.742 3.742 4.003 -0.261 25447 63 1 1 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.278 1.030 25447 64 1 1 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.176 0.313 25447 65 1 1 . 1 1 13 13 GLU H H 13 7.750 7.750 8.047 -0.297 25447 66 1 1 . 1 1 14 14 GLU N N 14 113.478 113.478 117.487 -4.009 25447 67 1 1 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.127 -0.349 25447 68 1 1 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.756 -1.956 25447 69 1 1 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.113 -0.470 25447 70 1 1 . 1 1 14 14 GLU H H 14 7.603 7.603 8.156 -0.553 25447 71 1 1 . 1 1 15 15 PHE N N 15 114.193 114.193 114.766 -0.573 25447 72 1 1 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.628 0.311 25447 73 1 1 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.492 -0.397 25447 74 1 1 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.341 -0.246 25447 75 1 1 . 1 1 15 15 PHE H H 15 7.908 7.908 7.507 0.401 25447 76 1 1 . 1 1 16 16 LEU N N 16 121.492 121.492 121.718 -0.226 25447 77 1 1 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.797 0.170 25447 78 1 1 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.200 0.177 25447 79 1 1 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.436 1.297 25447 80 1 1 . 1 1 16 16 LEU H H 16 8.015 8.015 8.053 -0.038 25447 81 1 1 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.416 -0.033 25447 82 1 1 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.893 0.965 25447 83 1 1 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.824 0.005 25447 84 1 1 . 1 1 18 18 ASP N N 18 116.508 116.508 118.351 -1.843 25447 85 1 1 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.698 -0.130 25447 86 1 1 . 1 1 18 18 ASP CA C 18 54.688 54.688 54.044 0.644 25447 87 1 1 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.516 0.110 25447 88 1 1 . 1 1 18 18 ASP H H 18 8.399 8.399 8.614 -0.215 25447 89 1 1 . 1 1 19 19 VAL N N 19 122.135 122.135 120.822 1.313 25447 90 1 1 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.150 -0.032 25447 91 1 1 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.498 0.795 25447 92 1 1 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.458 0.124 25447 93 1 1 . 1 1 19 19 VAL H H 19 7.760 7.760 7.249 0.511 25447 94 1 1 . 1 1 20 20 ALA N N 20 129.301 129.301 130.828 -1.527 25447 95 1 1 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.493 0.106 25447 96 1 1 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.227 0.042 25447 97 1 1 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.266 -0.838 25447 98 1 1 . 1 1 20 20 ALA H H 20 8.761 8.761 8.343 0.418 25447 99 1 1 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.158 -0.081 25447 100 1 1 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.369 0.834 25447 101 1 1 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.748 -0.340 25447 102 1 1 . 1 1 22 22 ALA N N 22 116.106 116.106 117.786 -1.680 25447 103 1 1 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.130 -0.013 25447 104 1 1 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.145 -0.149 25447 105 1 1 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.205 0.639 25447 106 1 1 . 1 1 22 22 ALA H H 22 8.064 8.064 7.900 0.164 25447 107 1 1 . 1 1 23 23 ASP N N 23 115.541 115.541 118.089 -2.548 25447 108 1 1 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.630 0.047 25447 109 1 1 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.934 0.402 25447 110 1 1 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.961 0.392 25447 111 1 1 . 1 1 23 23 ASP H H 23 8.003 8.003 8.150 -0.147 25447 112 1 1 . 1 1 24 24 VAL N N 24 121.517 121.517 120.645 0.872 25447 113 1 1 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.145 -0.324 25447 114 1 1 . 1 1 24 24 VAL CA C 24 62.345 62.345 62.005 0.340 25447 115 1 1 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.337 -1.604 25447 116 1 1 . 1 1 24 24 VAL H H 24 7.069 7.069 7.416 -0.347 25447 117 1 1 . 1 1 25 25 ASP N N 25 129.329 129.329 126.889 2.440 25447 118 1 1 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.824 -0.250 25447 119 1 1 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.520 1.046 25447 120 1 1 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.565 0.768 25447 121 1 1 . 1 1 25 25 ASP H H 25 8.474 8.474 8.691 -0.217 25447 122 1 1 . 1 1 26 26 VAL N N 26 121.920 121.920 120.269 1.651 25447 123 1 1 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.055 0.053 25447 124 1 1 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.593 0.925 25447 125 1 1 . 1 1 26 26 VAL CB C 26 31.198 31.198 32.094 -0.896 25447 126 1 1 . 1 1 26 26 VAL H H 26 8.591 8.591 8.586 0.005 25447 127 1 1 . 1 1 27 27 ASP N N 27 116.286 116.286 118.908 -2.622 25447 128 1 1 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.638 0.507 25447 129 1 1 . 1 1 27 27 ASP CA C 27 54.181 54.181 55.198 -1.017 25447 130 1 1 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.536 2.039 25447 131 1 1 . 1 1 27 27 ASP H H 27 8.609 8.609 8.245 0.364 25447 132 1 1 . 1 1 28 28 LEU N N 28 125.116 125.116 122.008 3.108 25447 133 1 1 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.474 -0.463 25447 134 1 1 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.339 1.748 25447 135 1 1 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.846 -0.525 25447 136 1 1 . 1 1 28 28 LEU H H 28 7.374 7.374 7.320 0.054 25447 137 1 1 . 1 1 29 29 ASP N N 29 125.924 125.924 125.227 0.697 25447 138 1 1 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.639 0.195 25447 139 1 1 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.005 -1.085 25447 140 1 1 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.482 -0.103 25447 141 1 1 . 1 1 29 29 ASP H H 29 8.699 8.699 8.621 0.078 25447 142 1 1 . 1 1 30 30 LEU N N 30 129.975 129.975 123.704 6.271 25447 143 1 1 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.150 -0.233 25447 144 1 1 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.325 -0.938 25447 145 1 1 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.576 -0.337 25447 146 1 1 . 1 1 30 30 LEU H H 30 9.718 9.718 8.437 1.281 25447 147 1 1 . 1 1 31 31 VAL N N 31 121.212 121.212 117.743 3.469 25447 148 1 1 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.591 0.602 25447 149 1 1 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.699 -2.266 25447 150 1 1 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.698 0.477 25447 151 1 1 . 1 1 31 31 VAL H H 31 8.163 8.163 7.731 0.432 25447 152 1 1 . 1 1 32 32 ASP N N 32 124.893 124.893 118.689 6.204 25447 153 1 1 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.324 0.034 25447 154 1 1 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.798 0.427 25447 155 1 1 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.092 0.643 25447 156 1 1 . 1 1 32 32 ASP H H 32 9.385 9.385 8.770 0.615 25447 157 1 1 . 1 1 33 33 ASN N N 33 111.484 111.484 116.554 -5.070 25447 158 1 1 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.559 0.161 25447 159 1 1 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.926 -0.040 25447 160 1 1 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.227 -0.221 25447 161 1 1 . 1 1 33 33 ASN H H 33 7.396 7.396 7.634 -0.238 25447 162 1 1 . 1 1 34 34 GLY N N 34 106.957 106.957 106.440 0.517 25447 163 1 1 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.668 0.939 25447 164 1 1 . 1 1 34 34 GLY H H 34 7.618 7.618 7.867 -0.249 25447 165 1 1 . 1 1 35 35 VAL N N 35 120.424 120.424 118.616 1.808 25447 166 1 1 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.566 0.200 25447 167 1 1 . 1 1 35 35 VAL CA C 35 65.125 65.125 65.122 0.003 25447 168 1 1 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.831 0.048 25447 169 1 1 . 1 1 35 35 VAL H H 35 7.792 7.792 7.860 -0.068 25447 170 1 1 . 1 1 36 36 ILE N N 36 116.364 116.364 119.813 -3.449 25447 171 1 1 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.958 -0.221 25447 172 1 1 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.736 -1.051 25447 173 1 1 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.683 1.124 25447 174 1 1 . 1 1 36 36 ILE H H 36 7.331 7.331 7.972 -0.641 25447 175 1 1 . 1 1 37 37 ASP N N 37 127.306 127.306 127.794 -0.488 25447 176 1 1 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.742 -0.078 25447 177 1 1 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.890 -1.274 25447 178 1 1 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.788 -1.579 25447 179 1 1 . 1 1 37 37 ASP H H 37 7.874 7.874 7.975 -0.101 25447 180 1 1 . 1 1 38 38 ALA N N 38 120.352 120.352 123.034 -2.682 25447 181 1 1 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.105 -0.110 25447 182 1 1 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.361 0.930 25447 183 1 1 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.587 -0.275 25447 184 1 1 . 1 1 38 38 ALA H H 38 8.244 8.244 8.330 -0.086 25447 185 1 1 . 1 1 39 39 LEU N N 39 117.438 117.438 118.354 -0.916 25447 186 1 1 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.192 0.058 25447 187 1 1 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.063 0.292 25447 188 1 1 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.163 0.073 25447 189 1 1 . 1 1 39 39 LEU H H 39 7.688 7.688 8.405 -0.717 25447 190 1 1 . 1 1 40 40 GLY N N 40 112.015 112.015 107.861 4.154 25447 191 1 1 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.179 0.920 25447 192 1 1 . 1 1 40 40 GLY H H 40 8.732 8.732 8.317 0.415 25447 193 1 1 . 1 1 41 41 LEU N N 41 122.983 122.983 123.445 -0.462 25447 194 1 1 . 1 1 41 41 LEU HA H 41 3.851 3.851 4.137 -0.286 25447 195 1 1 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.731 0.601 25447 196 1 1 . 1 1 41 41 LEU CB C 41 41.639 41.639 42.023 -0.384 25447 197 1 1 . 1 1 41 41 LEU H H 41 8.548 8.548 8.344 0.204 25447 198 1 1 . 1 1 42 42 LEU N N 42 116.076 116.076 119.994 -3.918 25447 199 1 1 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.897 0.131 25447 200 1 1 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.521 -0.457 25447 201 1 1 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.813 -0.873 25447 202 1 1 . 1 1 42 42 LEU H H 42 7.168 7.168 7.637 -0.469 25447 203 1 1 . 1 1 43 43 LYS N N 43 119.831 119.831 119.103 0.728 25447 204 1 1 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.037 0.247 25447 205 1 1 . 1 1 43 43 LYS CA C 43 59.644 59.644 60.060 -0.416 25447 206 1 1 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.365 0.162 25447 207 1 1 . 1 1 43 43 LYS H H 43 7.640 7.640 8.290 -0.650 25447 208 1 1 . 1 1 44 44 VAL N N 44 121.046 121.046 120.449 0.597 25447 209 1 1 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.051 -0.102 25447 210 1 1 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.972 -0.329 25447 211 1 1 . 1 1 44 44 VAL H H 44 8.269 8.269 7.949 0.320 25447 212 1 1 . 1 1 45 45 ILE N N 45 119.333 119.333 119.400 -0.067 25447 213 1 1 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.608 -0.204 25447 214 1 1 . 1 1 45 45 ILE CA C 45 66.148 66.148 63.808 2.340 25447 215 1 1 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.145 1.132 25447 216 1 1 . 1 1 45 45 ILE H H 45 8.145 8.145 7.762 0.383 25447 217 1 1 . 1 1 46 46 ALA N N 46 121.213 121.213 123.569 -2.356 25447 218 1 1 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.096 0.161 25447 219 1 1 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.270 -0.106 25447 220 1 1 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.343 0.025 25447 221 1 1 . 1 1 46 46 ALA H H 46 7.792 7.792 8.236 -0.444 25447 222 1 1 . 1 1 47 47 TRP N N 47 121.416 121.416 120.046 1.370 25447 223 1 1 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.449 -0.215 25447 224 1 1 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.574 2.096 25447 225 1 1 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.403 -1.164 25447 226 1 1 . 1 1 47 47 TRP H H 47 8.093 8.093 7.944 0.149 25447 227 1 1 . 1 1 48 48 LEU N N 48 118.963 118.963 121.021 -2.058 25447 228 1 1 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.723 0.863 25447 229 1 1 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.729 0.466 25447 230 1 1 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.173 1.078 25447 231 1 1 . 1 1 48 48 LEU H H 48 8.693 8.693 7.214 1.479 25447 232 1 1 . 1 1 49 49 GLU N N 49 119.131 119.131 117.439 1.692 25447 233 1 1 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.992 0.058 25447 234 1 1 . 1 1 49 49 GLU CA C 49 59.862 59.862 58.944 0.918 25447 235 1 1 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.776 0.810 25447 236 1 1 . 1 1 49 49 GLU H H 49 7.771 7.771 7.942 -0.171 25447 237 1 1 . 1 1 50 50 ASP N N 50 119.941 119.941 120.068 -0.127 25447 238 1 1 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.403 -0.166 25447 239 1 1 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.983 0.372 25447 240 1 1 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.940 1.443 25447 241 1 1 . 1 1 50 50 ASP H H 50 7.697 7.697 7.569 0.128 25447 242 1 1 . 1 1 51 51 ARG N N 51 116.911 116.911 117.743 -0.832 25447 243 1 1 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.008 -0.272 25447 244 1 1 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.404 -2.040 25447 245 1 1 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.258 -0.943 25447 246 1 1 . 1 1 51 51 ARG H H 51 8.881 8.881 7.826 1.055 25447 247 1 1 . 1 1 52 52 PHE N N 52 112.328 112.328 116.437 -4.109 25447 248 1 1 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.632 0.043 25447 249 1 1 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.993 -0.580 25447 250 1 1 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.343 1.549 25447 251 1 1 . 1 1 52 52 PHE H H 52 7.284 7.284 7.502 -0.218 25447 252 1 1 . 1 1 53 53 GLY N N 53 109.826 109.826 108.795 1.031 25447 253 1 1 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.601 1.200 25447 254 1 1 . 1 1 53 53 GLY H H 53 7.427 7.427 7.939 -0.512 25447 255 1 1 . 1 1 54 54 ILE N N 54 119.127 119.127 115.078 4.049 25447 256 1 1 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.508 -0.557 25447 257 1 1 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.348 1.337 25447 258 1 1 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.885 -0.395 25447 259 1 1 . 1 1 54 54 ILE H H 54 6.876 6.876 7.594 -0.718 25447 260 1 1 . 1 1 55 55 ALA N N 55 129.823 129.823 124.390 5.433 25447 261 1 1 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.564 -0.150 25447 262 1 1 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.643 0.967 25447 263 1 1 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.148 -0.886 25447 264 1 1 . 1 1 55 55 ALA H H 55 8.499 8.499 8.301 0.198 25447 265 1 1 . 1 1 56 56 ALA N N 56 126.300 126.300 126.665 -0.365 25447 266 1 1 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.085 0.184 25447 267 1 1 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.587 -1.113 25447 268 1 1 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.421 0.823 25447 269 1 1 . 1 1 56 56 ALA H H 56 8.641 8.641 8.983 -0.342 25447 270 1 1 . 1 1 57 57 ASP N N 57 116.395 116.395 117.275 -0.880 25447 271 1 1 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.362 0.117 25447 272 1 1 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.393 -1.167 25447 273 1 1 . 1 1 57 57 ASP CB C 57 40.922 40.922 39.963 0.959 25447 274 1 1 . 1 1 57 57 ASP H H 57 8.337 8.337 8.561 -0.224 25447 275 1 1 . 1 1 58 58 ASP N N 58 118.557 118.557 118.834 -0.277 25447 276 1 1 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.431 0.205 25447 277 1 1 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.803 -0.659 25447 278 1 1 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.563 -0.059 25447 279 1 1 . 1 1 58 58 ASP H H 58 8.027 8.027 7.942 0.085 25447 280 1 1 . 1 1 59 59 VAL N N 59 118.898 118.898 118.433 0.465 25447 281 1 1 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.266 -0.090 25447 282 1 1 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.133 1.167 25447 283 1 1 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.868 -1.790 25447 284 1 1 . 1 1 59 59 VAL H H 59 7.716 7.716 7.488 0.228 25447 285 1 1 . 1 1 60 60 GLU N N 60 122.888 122.888 126.534 -3.646 25447 286 1 1 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.424 -0.140 25447 287 1 1 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.945 0.601 25447 288 1 1 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.583 -0.801 25447 289 1 1 . 1 1 60 60 GLU H H 60 8.367 8.367 8.395 -0.028 25447 290 1 1 . 1 1 61 61 LEU N N 61 124.827 124.827 125.049 -0.222 25447 291 1 1 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.458 -0.100 25447 292 1 1 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.300 0.516 25447 293 1 1 . 1 1 61 61 LEU CB C 61 41.937 41.937 42.547 -0.610 25447 294 1 1 . 1 1 61 61 LEU H H 61 8.198 8.198 8.402 -0.204 25447 295 1 1 . 1 1 62 62 SER N N 62 118.715 118.715 119.454 -0.739 25447 296 1 1 . 1 1 62 62 SER HA H 62 4.809 4.809 4.957 -0.148 25447 297 1 1 . 1 1 62 62 SER CA C 62 55.732 55.732 55.603 0.129 25447 298 1 1 . 1 1 62 62 SER CB C 62 64.017 64.017 65.029 -1.012 25447 299 1 1 . 1 1 62 62 SER H H 62 8.137 8.137 8.291 -0.154 25447 300 1 1 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.305 -0.052 25447 301 1 1 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.154 -0.258 25447 302 1 1 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.830 0.222 25447 303 1 1 . 1 1 64 64 GLU N N 64 116.554 116.554 119.127 -2.573 25447 304 1 1 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.151 -0.278 25447 305 1 1 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.876 -0.157 25447 306 1 1 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.250 -0.569 25447 307 1 1 . 1 1 64 64 GLU H H 64 8.316 8.316 8.525 -0.209 25447 308 1 1 . 1 1 65 65 HIS N N 65 115.487 115.487 119.672 -4.185 25447 309 1 1 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.258 0.022 25447 310 1 1 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.145 -0.493 25447 311 1 1 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.465 0.417 25447 312 1 1 . 1 1 65 65 HIS H H 65 7.274 7.274 8.364 -1.090 25447 313 1 1 . 1 1 66 66 PHE N N 66 116.127 116.127 116.690 -0.563 25447 314 1 1 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.685 0.081 25447 315 1 1 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.479 -1.697 25447 316 1 1 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.738 1.170 25447 317 1 1 . 1 1 66 66 PHE H H 66 7.239 7.239 7.840 -0.601 25447 318 1 1 . 1 1 67 67 ARG N N 67 112.468 112.468 119.976 -7.508 25447 319 1 1 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.995 0.090 25447 320 1 1 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.221 -0.934 25447 321 1 1 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.424 1.336 25447 322 1 1 . 1 1 67 67 ARG H H 67 6.628 6.628 7.918 -1.290 25447 323 1 1 . 1 1 68 68 SER N N 68 109.305 109.305 110.360 -1.055 25447 324 1 1 . 1 1 68 68 SER HA H 68 4.980 4.980 4.746 0.234 25447 325 1 1 . 1 1 68 68 SER CA C 68 55.785 55.785 56.842 -1.057 25447 326 1 1 . 1 1 68 68 SER CB C 68 67.691 67.691 66.515 1.176 25447 327 1 1 . 1 1 68 68 SER H H 68 8.145 8.145 7.344 0.801 25447 328 1 1 . 1 1 69 69 ILE N N 69 122.602 122.602 122.690 -0.088 25447 329 1 1 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.720 -0.044 25447 330 1 1 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.290 1.464 25447 331 1 1 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.594 -0.298 25447 332 1 1 . 1 1 69 69 ILE H H 69 9.775 9.775 9.112 0.663 25447 333 1 1 . 1 1 70 70 ARG N N 70 118.764 118.764 118.527 0.237 25447 334 1 1 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.882 0.073 25447 335 1 1 . 1 1 70 70 ARG CA C 70 60.533 60.533 60.156 0.377 25447 336 1 1 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.543 0.875 25447 337 1 1 . 1 1 70 70 ARG H H 70 8.910 8.910 8.485 0.425 25447 338 1 1 . 1 1 71 71 SER N N 71 117.670 117.670 115.260 2.410 25447 339 1 1 . 1 1 71 71 SER HA H 71 4.330 4.330 4.166 0.164 25447 340 1 1 . 1 1 71 71 SER CA C 71 62.287 62.287 61.460 0.827 25447 341 1 1 . 1 1 71 71 SER CB C 71 63.278 63.278 62.765 0.513 25447 342 1 1 . 1 1 71 71 SER H H 71 8.518 8.518 7.455 1.063 25447 343 1 1 . 1 1 72 72 ILE N N 72 127.447 127.447 121.917 5.530 25447 344 1 1 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.533 0.377 25447 345 1 1 . 1 1 72 72 ILE CA C 72 66.811 66.811 63.561 3.250 25447 346 1 1 . 1 1 72 72 ILE CB C 72 38.398 38.398 36.320 2.078 25447 347 1 1 . 1 1 72 72 ILE H H 72 8.762 8.762 7.338 1.424 25447 348 1 1 . 1 1 73 73 ASP N N 73 121.636 121.636 120.632 1.004 25447 349 1 1 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.314 -0.301 25447 350 1 1 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.465 1.683 25447 351 1 1 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.636 2.904 25447 352 1 1 . 1 1 73 73 ASP H H 73 8.677 8.677 7.895 0.782 25447 353 1 1 . 1 1 74 74 ALA N N 74 118.793 118.793 121.820 -3.027 25447 354 1 1 . 1 1 74 74 ALA HA H 74 4.044 4.044 3.970 0.074 25447 355 1 1 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.191 0.131 25447 356 1 1 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.444 -0.499 25447 357 1 1 . 1 1 74 74 ALA H H 74 8.005 8.005 7.569 0.436 25447 358 1 1 . 1 1 75 75 PHE N N 75 121.235 121.235 119.904 1.331 25447 359 1 1 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.073 -0.035 25447 360 1 1 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.933 -0.918 25447 361 1 1 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.421 -0.584 25447 362 1 1 . 1 1 75 75 PHE H H 75 8.353 8.353 8.482 -0.129 25447 363 1 1 . 1 1 76 76 VAL N N 76 120.866 120.866 119.044 1.822 25447 364 1 1 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.358 -0.415 25447 365 1 1 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.889 0.012 25447 366 1 1 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.280 -0.033 25447 367 1 1 . 1 1 76 76 VAL H H 76 8.544 8.544 8.343 0.201 25447 368 1 1 . 1 1 77 77 VAL N N 77 121.408 121.408 119.744 1.664 25447 369 1 1 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.652 -0.157 25447 370 1 1 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.490 0.343 25447 371 1 1 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.177 0.753 25447 372 1 1 . 1 1 77 77 VAL H H 77 8.708 8.708 8.107 0.601 25447 373 1 1 . 1 1 78 78 GLY N N 78 106.402 106.402 107.246 -0.844 25447 374 1 1 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.000 -0.160 25447 375 1 1 . 1 1 78 78 GLY H H 78 7.945 7.945 8.614 -0.669 25447 376 1 1 . 1 1 79 79 ALA N N 79 121.146 121.146 122.267 -1.121 25447 377 1 1 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.965 0.242 25447 378 1 1 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.435 -1.506 25447 379 1 1 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.447 0.814 25447 380 1 1 . 1 1 79 79 ALA H H 79 7.639 7.639 7.473 0.166 25447 381 1 1 . 1 1 80 80 THR N N 80 107.668 107.668 109.590 -1.922 25447 382 1 1 . 1 1 80 80 THR HA H 80 4.443 4.443 4.389 0.054 25447 383 1 1 . 1 1 80 80 THR CA C 80 61.406 61.406 62.654 -1.248 25447 384 1 1 . 1 1 80 80 THR CB C 80 70.767 70.767 70.071 0.696 25447 385 1 1 . 1 1 80 80 THR H H 80 7.449 7.449 7.688 -0.239 25447 386 1 1 . 1 1 81 81 THR N N 81 119.953 119.953 117.143 2.810 25447 387 1 1 . 1 1 81 81 THR HA H 81 4.665 4.665 4.811 -0.146 25447 388 1 1 . 1 1 81 81 THR CA C 81 60.412 60.412 59.303 1.109 25447 389 1 1 . 1 1 81 81 THR CB C 81 70.113 70.113 69.251 0.862 25447 390 1 1 . 1 1 81 81 THR H H 81 7.685 7.685 7.980 -0.295 25447 391 1 1 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.346 0.343 25447 392 1 1 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.383 -0.695 25447 393 1 1 . 1 1 82 82 PRO CB C 82 30.969 30.969 31.163 -0.194 25447 394 1 1 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.328 0.153 25447 395 1 1 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.459 0.472 25447 396 1 1 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.151 0.042 25447 397 1 1 . 1 1 84 84 VAL N N 84 120.691 120.691 121.818 -1.127 25447 398 1 1 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.140 -0.047 25447 399 1 1 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.882 0.457 25447 400 1 1 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.727 0.124 25447 401 1 1 . 1 1 84 84 VAL H H 84 8.257 8.257 8.188 0.069 25447 402 1 1 . 1 1 85 85 GLU N N 85 127.655 127.655 122.487 5.168 25447 403 1 1 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.803 0.481 25447 404 1 1 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.679 0.075 25447 405 1 1 . 1 1 85 85 GLU CB C 85 30.559 30.559 27.965 2.594 25447 406 1 1 . 1 1 85 85 GLU H H 85 8.202 8.202 8.785 -0.583 25447 407 1 1 . 1 1 86 86 ALA N N 86 126.437 126.437 120.520 5.917 25447 408 1 1 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.131 -0.080 25447 409 1 1 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.593 -0.445 25447 410 1 1 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.646 -0.186 25447 411 1 1 . 1 1 86 86 ALA H H 86 8.323 8.323 8.123 0.200 25447 412 1 1 . 1 1 87 87 LYS N N 87 121.796 121.796 122.265 -0.469 25447 413 1 1 . 1 1 87 87 LYS HA H 87 4.347 4.347 3.958 0.389 25447 414 1 1 . 1 1 87 87 LYS CA C 87 56.297 56.297 58.511 -2.214 25447 415 1 1 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.144 1.133 25447 416 1 1 . 1 1 87 87 LYS H H 87 8.333 8.333 8.596 -0.263 25447 417 1 1 . 1 1 88 88 LEU N N 88 125.576 125.576 119.479 6.097 25447 418 1 1 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.117 -0.210 25447 419 1 1 . 1 1 88 88 LEU CA C 88 55.772 55.772 56.767 -0.995 25447 420 1 1 . 1 1 88 88 LEU CB C 88 42.472 42.472 41.790 0.682 25447 421 1 1 . 1 1 88 88 LEU H H 88 8.444 8.444 8.077 0.367 25447 422 1 2 . 1 1 1 1 MET N N 1 120.668 120.668 124.727 -4.059 25447 423 1 2 . 1 1 1 1 MET HA H 1 4.484 4.484 4.395 0.089 25447 424 1 2 . 1 1 1 1 MET CA C 1 55.257 55.257 55.040 0.217 25447 425 1 2 . 1 1 1 1 MET CB C 1 34.517 34.517 31.711 2.806 25447 426 1 2 . 1 1 1 1 MET H H 1 8.313 8.313 8.640 -0.327 25447 427 1 2 . 1 1 2 2 GLN N N 2 123.739 123.739 116.842 6.897 25447 428 1 2 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.670 0.360 25447 429 1 2 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.425 1.449 25447 430 1 2 . 1 1 2 2 GLN CB C 2 29.938 29.938 26.033 3.905 25447 431 1 2 . 1 1 2 2 GLN H H 2 9.455 9.455 8.024 1.431 25447 432 1 2 . 1 1 3 3 HIS N N 3 119.115 119.115 109.185 9.930 25447 433 1 2 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.280 0.836 25447 434 1 2 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.675 -1.181 25447 435 1 2 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.162 3.853 25447 436 1 2 . 1 1 3 3 HIS H H 3 9.783 9.783 8.368 1.415 25447 437 1 2 . 1 1 4 4 ALA N N 4 122.648 122.648 123.110 -0.462 25447 438 1 2 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.149 -0.246 25447 439 1 2 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.414 1.065 25447 440 1 2 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.655 0.538 25447 441 1 2 . 1 1 4 4 ALA H H 4 7.551 7.551 8.432 -0.881 25447 442 1 2 . 1 1 5 5 SER N N 5 112.599 112.599 114.191 -1.592 25447 443 1 2 . 1 1 5 5 SER HA H 5 4.298 4.298 4.282 0.016 25447 444 1 2 . 1 1 5 5 SER CA C 5 62.117 62.117 61.242 0.875 25447 445 1 2 . 1 1 5 5 SER CB C 5 62.334 62.334 62.258 0.076 25447 446 1 2 . 1 1 5 5 SER H H 5 8.736 8.736 8.290 0.446 25447 447 1 2 . 1 1 6 6 VAL N N 6 122.866 122.866 123.457 -0.591 25447 448 1 2 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.814 0.291 25447 449 1 2 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.368 -0.636 25447 450 1 2 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.480 1.257 25447 451 1 2 . 1 1 6 6 VAL H H 6 7.660 7.660 7.763 -0.103 25447 452 1 2 . 1 1 7 7 ILE N N 7 121.715 121.715 119.901 1.814 25447 453 1 2 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.121 0.103 25447 454 1 2 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.829 -0.500 25447 455 1 2 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.517 1.176 25447 456 1 2 . 1 1 7 7 ILE H H 7 8.519 8.519 7.761 0.758 25447 457 1 2 . 1 1 8 8 ALA N N 8 121.373 121.373 121.770 -0.397 25447 458 1 2 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.001 -0.106 25447 459 1 2 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.404 0.853 25447 460 1 2 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.052 0.588 25447 461 1 2 . 1 1 8 8 ALA H H 8 8.940 8.940 7.844 1.096 25447 462 1 2 . 1 1 9 9 GLN N N 9 115.076 115.076 118.622 -3.546 25447 463 1 2 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.895 -0.025 25447 464 1 2 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.937 0.255 25447 465 1 2 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.604 -0.466 25447 466 1 2 . 1 1 9 9 GLN H H 9 7.729 7.729 7.901 -0.172 25447 467 1 2 . 1 1 10 10 PHE N N 10 120.207 120.207 119.308 0.899 25447 468 1 2 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.806 0.279 25447 469 1 2 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.633 -0.740 25447 470 1 2 . 1 1 10 10 PHE CB C 10 38.932 38.932 37.829 1.103 25447 471 1 2 . 1 1 10 10 PHE H H 10 7.301 7.301 7.890 -0.589 25447 472 1 2 . 1 1 11 11 VAL N N 11 117.569 117.569 117.222 0.347 25447 473 1 2 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.885 -0.578 25447 474 1 2 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.812 0.696 25447 475 1 2 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.506 -0.019 25447 476 1 2 . 1 1 11 11 VAL H H 11 8.370 8.370 7.731 0.639 25447 477 1 2 . 1 1 12 12 VAL N N 12 117.909 117.909 121.117 -3.208 25447 478 1 2 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.573 0.168 25447 479 1 2 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.624 -0.748 25447 480 1 2 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.649 -0.337 25447 481 1 2 . 1 1 12 12 VAL H H 12 8.294 8.294 8.276 0.018 25447 482 1 2 . 1 1 13 13 GLU N N 13 117.918 117.918 118.104 -0.186 25447 483 1 2 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.977 -0.235 25447 484 1 2 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.336 0.971 25447 485 1 2 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.169 0.320 25447 486 1 2 . 1 1 13 13 GLU H H 13 7.750 7.750 8.403 -0.653 25447 487 1 2 . 1 1 14 14 GLU N N 14 113.478 113.478 117.877 -4.399 25447 488 1 2 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.125 -0.347 25447 489 1 2 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.693 -1.893 25447 490 1 2 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.221 -0.578 25447 491 1 2 . 1 1 14 14 GLU H H 14 7.603 7.603 7.976 -0.373 25447 492 1 2 . 1 1 15 15 PHE N N 15 114.193 114.193 115.678 -1.485 25447 493 1 2 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.573 0.366 25447 494 1 2 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.515 -0.420 25447 495 1 2 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.217 -0.122 25447 496 1 2 . 1 1 15 15 PHE H H 15 7.908 7.908 7.552 0.356 25447 497 1 2 . 1 1 16 16 LEU N N 16 121.492 121.492 121.731 -0.239 25447 498 1 2 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.794 0.173 25447 499 1 2 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.163 0.214 25447 500 1 2 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.402 1.331 25447 501 1 2 . 1 1 16 16 LEU H H 16 8.015 8.015 7.959 0.056 25447 502 1 2 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.382 0.001 25447 503 1 2 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.061 0.798 25447 504 1 2 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.839 -0.010 25447 505 1 2 . 1 1 18 18 ASP N N 18 116.508 116.508 118.126 -1.618 25447 506 1 2 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.723 -0.155 25447 507 1 2 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.855 0.833 25447 508 1 2 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.495 0.131 25447 509 1 2 . 1 1 18 18 ASP H H 18 8.399 8.399 8.510 -0.111 25447 510 1 2 . 1 1 19 19 VAL N N 19 122.135 122.135 120.875 1.260 25447 511 1 2 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.154 -0.036 25447 512 1 2 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.190 1.103 25447 513 1 2 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.303 0.279 25447 514 1 2 . 1 1 19 19 VAL H H 19 7.760 7.760 7.271 0.489 25447 515 1 2 . 1 1 20 20 ALA N N 20 129.301 129.301 130.929 -1.628 25447 516 1 2 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.498 0.101 25447 517 1 2 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.242 0.028 25447 518 1 2 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.281 -0.853 25447 519 1 2 . 1 1 20 20 ALA H H 20 8.761 8.761 8.333 0.428 25447 520 1 2 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.158 -0.081 25447 521 1 2 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.362 0.841 25447 522 1 2 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.777 -0.369 25447 523 1 2 . 1 1 22 22 ALA N N 22 116.106 116.106 117.932 -1.826 25447 524 1 2 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.130 -0.013 25447 525 1 2 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.159 -0.163 25447 526 1 2 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.214 0.630 25447 527 1 2 . 1 1 22 22 ALA H H 22 8.064 8.064 7.896 0.168 25447 528 1 2 . 1 1 23 23 ASP N N 23 115.541 115.541 118.092 -2.551 25447 529 1 2 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.629 0.048 25447 530 1 2 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.919 0.417 25447 531 1 2 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.938 0.415 25447 532 1 2 . 1 1 23 23 ASP H H 23 8.003 8.003 8.147 -0.144 25447 533 1 2 . 1 1 24 24 VAL N N 24 121.517 121.517 120.672 0.845 25447 534 1 2 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.130 -0.309 25447 535 1 2 . 1 1 24 24 VAL CA C 24 62.345 62.345 62.103 0.242 25447 536 1 2 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.255 -1.522 25447 537 1 2 . 1 1 24 24 VAL H H 24 7.069 7.069 7.420 -0.351 25447 538 1 2 . 1 1 25 25 ASP N N 25 129.329 129.329 127.726 1.603 25447 539 1 2 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.803 -0.229 25447 540 1 2 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.207 1.359 25447 541 1 2 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.743 0.590 25447 542 1 2 . 1 1 25 25 ASP H H 25 8.474 8.474 8.706 -0.232 25447 543 1 2 . 1 1 26 26 VAL N N 26 121.920 121.920 121.113 0.807 25447 544 1 2 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.964 0.144 25447 545 1 2 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.363 1.155 25447 546 1 2 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.639 -0.441 25447 547 1 2 . 1 1 26 26 VAL H H 26 8.591 8.591 8.648 -0.057 25447 548 1 2 . 1 1 27 27 ASP N N 27 116.286 116.286 118.284 -1.998 25447 549 1 2 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.693 0.452 25447 550 1 2 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.478 -0.297 25447 551 1 2 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.770 1.805 25447 552 1 2 . 1 1 27 27 ASP H H 27 8.609 8.609 8.095 0.514 25447 553 1 2 . 1 1 28 28 LEU N N 28 125.116 125.116 122.348 2.768 25447 554 1 2 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.502 -0.491 25447 555 1 2 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.226 1.861 25447 556 1 2 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.029 -0.708 25447 557 1 2 . 1 1 28 28 LEU H H 28 7.374 7.374 7.408 -0.034 25447 558 1 2 . 1 1 29 29 ASP N N 29 125.924 125.924 125.324 0.600 25447 559 1 2 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.786 0.048 25447 560 1 2 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.478 -0.559 25447 561 1 2 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.425 -0.046 25447 562 1 2 . 1 1 29 29 ASP H H 29 8.699 8.699 8.633 0.066 25447 563 1 2 . 1 1 30 30 LEU N N 30 129.975 129.975 123.588 6.387 25447 564 1 2 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.040 -0.123 25447 565 1 2 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.801 -1.413 25447 566 1 2 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.187 0.052 25447 567 1 2 . 1 1 30 30 LEU H H 30 9.718 9.718 7.970 1.748 25447 568 1 2 . 1 1 31 31 VAL N N 31 121.212 121.212 118.493 2.719 25447 569 1 2 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.582 0.611 25447 570 1 2 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.720 -2.287 25447 571 1 2 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.636 0.539 25447 572 1 2 . 1 1 31 31 VAL H H 31 8.163 8.163 7.694 0.469 25447 573 1 2 . 1 1 32 32 ASP N N 32 124.893 124.893 118.776 6.117 25447 574 1 2 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.321 0.037 25447 575 1 2 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.813 0.411 25447 576 1 2 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.070 0.665 25447 577 1 2 . 1 1 32 32 ASP H H 32 9.385 9.385 8.775 0.610 25447 578 1 2 . 1 1 33 33 ASN N N 33 111.484 111.484 116.098 -4.614 25447 579 1 2 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.571 0.149 25447 580 1 2 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.615 0.271 25447 581 1 2 . 1 1 33 33 ASN CB C 33 39.006 39.006 38.825 0.181 25447 582 1 2 . 1 1 33 33 ASN H H 33 7.396 7.396 7.471 -0.075 25447 583 1 2 . 1 1 34 34 GLY N N 34 106.957 106.957 106.223 0.734 25447 584 1 2 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.788 0.819 25447 585 1 2 . 1 1 34 34 GLY H H 34 7.618 7.618 7.857 -0.239 25447 586 1 2 . 1 1 35 35 VAL N N 35 120.424 120.424 118.709 1.715 25447 587 1 2 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.398 0.368 25447 588 1 2 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.572 0.553 25447 589 1 2 . 1 1 35 35 VAL CB C 35 31.879 31.879 32.031 -0.152 25447 590 1 2 . 1 1 35 35 VAL H H 35 7.792 7.792 7.702 0.090 25447 591 1 2 . 1 1 36 36 ILE N N 36 116.364 116.364 119.878 -3.514 25447 592 1 2 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.911 -0.174 25447 593 1 2 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.547 -0.862 25447 594 1 2 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.680 1.127 25447 595 1 2 . 1 1 36 36 ILE H H 36 7.331 7.331 7.799 -0.468 25447 596 1 2 . 1 1 37 37 ASP N N 37 127.306 127.306 127.680 -0.374 25447 597 1 2 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.725 -0.061 25447 598 1 2 . 1 1 37 37 ASP CA C 37 51.616 51.616 53.088 -1.472 25447 599 1 2 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.402 -1.193 25447 600 1 2 . 1 1 37 37 ASP H H 37 7.874 7.874 8.065 -0.191 25447 601 1 2 . 1 1 38 38 ALA N N 38 120.352 120.352 122.881 -2.529 25447 602 1 2 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.120 -0.125 25447 603 1 2 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.134 1.158 25447 604 1 2 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.608 -0.296 25447 605 1 2 . 1 1 38 38 ALA H H 38 8.244 8.244 8.264 -0.020 25447 606 1 2 . 1 1 39 39 LEU N N 39 117.438 117.438 118.548 -1.110 25447 607 1 2 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.142 0.108 25447 608 1 2 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.019 0.336 25447 609 1 2 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.133 0.103 25447 610 1 2 . 1 1 39 39 LEU H H 39 7.688 7.688 8.419 -0.731 25447 611 1 2 . 1 1 40 40 GLY N N 40 112.015 112.015 107.681 4.334 25447 612 1 2 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.134 0.965 25447 613 1 2 . 1 1 40 40 GLY H H 40 8.732 8.732 8.294 0.438 25447 614 1 2 . 1 1 41 41 LEU N N 41 122.983 122.983 123.244 -0.261 25447 615 1 2 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.908 -0.057 25447 616 1 2 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.503 0.829 25447 617 1 2 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.850 -0.211 25447 618 1 2 . 1 1 41 41 LEU H H 41 8.548 8.548 7.661 0.887 25447 619 1 2 . 1 1 42 42 LEU N N 42 116.076 116.076 120.015 -3.939 25447 620 1 2 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.892 0.136 25447 621 1 2 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.511 -0.447 25447 622 1 2 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.795 -0.855 25447 623 1 2 . 1 1 42 42 LEU H H 42 7.168 7.168 7.618 -0.450 25447 624 1 2 . 1 1 43 43 LYS N N 43 119.831 119.831 119.001 0.830 25447 625 1 2 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.026 0.258 25447 626 1 2 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.971 -0.327 25447 627 1 2 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.297 0.230 25447 628 1 2 . 1 1 43 43 LYS H H 43 7.640 7.640 8.346 -0.706 25447 629 1 2 . 1 1 44 44 VAL N N 44 121.046 121.046 120.241 0.805 25447 630 1 2 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.068 -0.119 25447 631 1 2 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.706 -0.063 25447 632 1 2 . 1 1 44 44 VAL H H 44 8.269 8.269 7.770 0.499 25447 633 1 2 . 1 1 45 45 ILE N N 45 119.333 119.333 119.708 -0.375 25447 634 1 2 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.616 -0.212 25447 635 1 2 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.740 1.409 25447 636 1 2 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.278 1.000 25447 637 1 2 . 1 1 45 45 ILE H H 45 8.145 8.145 7.730 0.415 25447 638 1 2 . 1 1 46 46 ALA N N 46 121.213 121.213 123.191 -1.978 25447 639 1 2 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.129 0.128 25447 640 1 2 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.203 -0.039 25447 641 1 2 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.248 0.120 25447 642 1 2 . 1 1 46 46 ALA H H 46 7.792 7.792 8.089 -0.297 25447 643 1 2 . 1 1 47 47 TRP N N 47 121.416 121.416 120.157 1.259 25447 644 1 2 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.452 -0.218 25447 645 1 2 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.438 2.232 25447 646 1 2 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.391 -1.152 25447 647 1 2 . 1 1 47 47 TRP H H 47 8.093 8.093 7.882 0.211 25447 648 1 2 . 1 1 48 48 LEU N N 48 118.963 118.963 120.998 -2.035 25447 649 1 2 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.775 0.811 25447 650 1 2 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.655 0.540 25447 651 1 2 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.148 1.103 25447 652 1 2 . 1 1 48 48 LEU H H 48 8.693 8.693 7.392 1.301 25447 653 1 2 . 1 1 49 49 GLU N N 49 119.131 119.131 117.546 1.585 25447 654 1 2 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.974 0.076 25447 655 1 2 . 1 1 49 49 GLU CA C 49 59.862 59.862 58.902 0.960 25447 656 1 2 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.727 0.859 25447 657 1 2 . 1 1 49 49 GLU H H 49 7.771 7.771 7.738 0.033 25447 658 1 2 . 1 1 50 50 ASP N N 50 119.941 119.941 120.460 -0.519 25447 659 1 2 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.416 -0.179 25447 660 1 2 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.298 1.057 25447 661 1 2 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.806 1.577 25447 662 1 2 . 1 1 50 50 ASP H H 50 7.697 7.697 7.631 0.066 25447 663 1 2 . 1 1 51 51 ARG N N 51 116.911 116.911 117.778 -0.867 25447 664 1 2 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.027 -0.291 25447 665 1 2 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.364 -2.000 25447 666 1 2 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.311 -0.996 25447 667 1 2 . 1 1 51 51 ARG H H 51 8.881 8.881 7.773 1.108 25447 668 1 2 . 1 1 52 52 PHE N N 52 112.328 112.328 116.435 -4.107 25447 669 1 2 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.647 0.028 25447 670 1 2 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.987 -0.574 25447 671 1 2 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.377 1.515 25447 672 1 2 . 1 1 52 52 PHE H H 52 7.284 7.284 7.565 -0.281 25447 673 1 2 . 1 1 53 53 GLY N N 53 109.826 109.826 108.884 0.942 25447 674 1 2 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.641 1.160 25447 675 1 2 . 1 1 53 53 GLY H H 53 7.427 7.427 7.995 -0.568 25447 676 1 2 . 1 1 54 54 ILE N N 54 119.127 119.127 114.757 4.370 25447 677 1 2 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.506 -0.555 25447 678 1 2 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.183 1.502 25447 679 1 2 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.698 -0.208 25447 680 1 2 . 1 1 54 54 ILE H H 54 6.876 6.876 7.473 -0.597 25447 681 1 2 . 1 1 55 55 ALA N N 55 129.823 129.823 124.217 5.606 25447 682 1 2 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.674 -0.260 25447 683 1 2 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.400 1.210 25447 684 1 2 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.481 -1.219 25447 685 1 2 . 1 1 55 55 ALA H H 55 8.499 8.499 8.559 -0.060 25447 686 1 2 . 1 1 56 56 ALA N N 56 126.300 126.300 126.371 -0.071 25447 687 1 2 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.066 0.203 25447 688 1 2 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.272 -0.798 25447 689 1 2 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.466 0.778 25447 690 1 2 . 1 1 56 56 ALA H H 56 8.641 8.641 8.937 -0.296 25447 691 1 2 . 1 1 57 57 ASP N N 57 116.395 116.395 118.074 -1.679 25447 692 1 2 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.360 0.119 25447 693 1 2 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.468 -1.242 25447 694 1 2 . 1 1 57 57 ASP CB C 57 40.922 40.922 39.930 0.992 25447 695 1 2 . 1 1 57 57 ASP H H 57 8.337 8.337 8.615 -0.278 25447 696 1 2 . 1 1 58 58 ASP N N 58 118.557 118.557 118.796 -0.239 25447 697 1 2 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.435 0.201 25447 698 1 2 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.910 -0.766 25447 699 1 2 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.348 0.156 25447 700 1 2 . 1 1 58 58 ASP H H 58 8.027 8.027 7.966 0.061 25447 701 1 2 . 1 1 59 59 VAL N N 59 118.898 118.898 118.124 0.774 25447 702 1 2 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.261 -0.085 25447 703 1 2 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.135 1.165 25447 704 1 2 . 1 1 59 59 VAL CB C 59 33.078 33.078 35.274 -2.196 25447 705 1 2 . 1 1 59 59 VAL H H 59 7.716 7.716 7.493 0.223 25447 706 1 2 . 1 1 60 60 GLU N N 60 122.888 122.888 126.728 -3.840 25447 707 1 2 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.459 -0.175 25447 708 1 2 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.812 0.734 25447 709 1 2 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.635 -0.853 25447 710 1 2 . 1 1 60 60 GLU H H 60 8.367 8.367 8.386 -0.019 25447 711 1 2 . 1 1 61 61 LEU N N 61 124.827 124.827 125.038 -0.211 25447 712 1 2 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.472 -0.114 25447 713 1 2 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.045 0.771 25447 714 1 2 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.068 -1.131 25447 715 1 2 . 1 1 61 61 LEU H H 61 8.198 8.198 8.500 -0.302 25447 716 1 2 . 1 1 62 62 SER N N 62 118.715 118.715 118.682 0.033 25447 717 1 2 . 1 1 62 62 SER HA H 62 4.809 4.809 4.978 -0.169 25447 718 1 2 . 1 1 62 62 SER CA C 62 55.732 55.732 55.275 0.457 25447 719 1 2 . 1 1 62 62 SER CB C 62 64.017 64.017 64.559 -0.542 25447 720 1 2 . 1 1 62 62 SER H H 62 8.137 8.137 8.165 -0.028 25447 721 1 2 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.248 0.005 25447 722 1 2 . 1 1 63 63 PRO CA C 63 64.896 64.896 64.875 0.021 25447 723 1 2 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.697 0.355 25447 724 1 2 . 1 1 64 64 GLU N N 64 116.554 116.554 118.666 -2.112 25447 725 1 2 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.135 -0.262 25447 726 1 2 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.867 -0.148 25447 727 1 2 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.212 -0.531 25447 728 1 2 . 1 1 64 64 GLU H H 64 8.316 8.316 8.472 -0.156 25447 729 1 2 . 1 1 65 65 HIS N N 65 115.487 115.487 119.670 -4.183 25447 730 1 2 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.244 0.036 25447 731 1 2 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.270 -0.618 25447 732 1 2 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.715 0.167 25447 733 1 2 . 1 1 65 65 HIS H H 65 7.274 7.274 8.232 -0.958 25447 734 1 2 . 1 1 66 66 PHE N N 66 116.127 116.127 117.002 -0.875 25447 735 1 2 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.433 0.333 25447 736 1 2 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.837 -2.055 25447 737 1 2 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.340 1.568 25447 738 1 2 . 1 1 66 66 PHE H H 66 7.239 7.239 7.644 -0.405 25447 739 1 2 . 1 1 67 67 ARG N N 67 112.468 112.468 119.267 -6.799 25447 740 1 2 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.939 0.146 25447 741 1 2 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.039 -0.752 25447 742 1 2 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.495 1.265 25447 743 1 2 . 1 1 67 67 ARG H H 67 6.628 6.628 7.892 -1.264 25447 744 1 2 . 1 1 68 68 SER N N 68 109.305 109.305 109.691 -0.386 25447 745 1 2 . 1 1 68 68 SER HA H 68 4.980 4.980 4.691 0.289 25447 746 1 2 . 1 1 68 68 SER CA C 68 55.785 55.785 56.963 -1.178 25447 747 1 2 . 1 1 68 68 SER CB C 68 67.691 67.691 65.113 2.578 25447 748 1 2 . 1 1 68 68 SER H H 68 8.145 8.145 7.530 0.615 25447 749 1 2 . 1 1 69 69 ILE N N 69 122.602 122.602 124.175 -1.573 25447 750 1 2 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.726 -0.050 25447 751 1 2 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.560 1.194 25447 752 1 2 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.466 -0.170 25447 753 1 2 . 1 1 69 69 ILE H H 69 9.775 9.775 9.216 0.559 25447 754 1 2 . 1 1 70 70 ARG N N 70 118.764 118.764 119.086 -0.322 25447 755 1 2 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.977 -0.022 25447 756 1 2 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.635 0.898 25447 757 1 2 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.392 1.026 25447 758 1 2 . 1 1 70 70 ARG H H 70 8.910 8.910 7.767 1.143 25447 759 1 2 . 1 1 71 71 SER N N 71 117.670 117.670 116.833 0.837 25447 760 1 2 . 1 1 71 71 SER HA H 71 4.330 4.330 4.294 0.036 25447 761 1 2 . 1 1 71 71 SER CA C 71 62.287 62.287 61.178 1.109 25447 762 1 2 . 1 1 71 71 SER CB C 71 63.278 63.278 62.123 1.155 25447 763 1 2 . 1 1 71 71 SER H H 71 8.518 8.518 7.544 0.974 25447 764 1 2 . 1 1 72 72 ILE N N 72 127.447 127.447 124.479 2.968 25447 765 1 2 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.855 0.055 25447 766 1 2 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.200 1.611 25447 767 1 2 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.496 0.902 25447 768 1 2 . 1 1 72 72 ILE H H 72 8.762 8.762 7.474 1.288 25447 769 1 2 . 1 1 73 73 ASP N N 73 121.636 121.636 120.352 1.284 25447 770 1 2 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.325 -0.312 25447 771 1 2 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.369 1.779 25447 772 1 2 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.645 2.895 25447 773 1 2 . 1 1 73 73 ASP H H 73 8.677 8.677 8.133 0.544 25447 774 1 2 . 1 1 74 74 ALA N N 74 118.793 118.793 122.088 -3.295 25447 775 1 2 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.088 -0.044 25447 776 1 2 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.080 0.241 25447 777 1 2 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.316 -0.371 25447 778 1 2 . 1 1 74 74 ALA H H 74 8.005 8.005 7.760 0.245 25447 779 1 2 . 1 1 75 75 PHE N N 75 121.235 121.235 119.857 1.378 25447 780 1 2 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.023 0.015 25447 781 1 2 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.779 -0.764 25447 782 1 2 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.373 -0.536 25447 783 1 2 . 1 1 75 75 PHE H H 75 8.353 8.353 8.339 0.014 25447 784 1 2 . 1 1 76 76 VAL N N 76 120.866 120.866 118.346 2.520 25447 785 1 2 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.349 -0.406 25447 786 1 2 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.799 0.102 25447 787 1 2 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.349 -0.102 25447 788 1 2 . 1 1 76 76 VAL H H 76 8.544 8.544 8.392 0.152 25447 789 1 2 . 1 1 77 77 VAL N N 77 121.408 121.408 119.425 1.983 25447 790 1 2 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.683 -0.188 25447 791 1 2 . 1 1 77 77 VAL CA C 77 66.833 66.833 65.688 1.145 25447 792 1 2 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.191 0.739 25447 793 1 2 . 1 1 77 77 VAL H H 77 8.708 8.708 8.115 0.593 25447 794 1 2 . 1 1 78 78 GLY N N 78 106.402 106.402 106.295 0.107 25447 795 1 2 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.796 0.044 25447 796 1 2 . 1 1 78 78 GLY H H 78 7.945 7.945 8.436 -0.491 25447 797 1 2 . 1 1 79 79 ALA N N 79 121.146 121.146 121.976 -0.830 25447 798 1 2 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.981 0.226 25447 799 1 2 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.025 -1.096 25447 800 1 2 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.772 0.489 25447 801 1 2 . 1 1 79 79 ALA H H 79 7.639 7.639 7.165 0.473 25447 802 1 2 . 1 1 80 80 THR N N 80 107.668 107.668 107.045 0.623 25447 803 1 2 . 1 1 80 80 THR HA H 80 4.443 4.443 4.443 0.000 25447 804 1 2 . 1 1 80 80 THR CA C 80 61.406 61.406 62.129 -0.723 25447 805 1 2 . 1 1 80 80 THR CB C 80 70.767 70.767 70.318 0.449 25447 806 1 2 . 1 1 80 80 THR H H 80 7.449 7.449 7.821 -0.372 25447 807 1 2 . 1 1 81 81 THR N N 81 119.953 119.953 117.390 2.563 25447 808 1 2 . 1 1 81 81 THR HA H 81 4.665 4.665 4.860 -0.195 25447 809 1 2 . 1 1 81 81 THR CA C 81 60.412 60.412 59.170 1.242 25447 810 1 2 . 1 1 81 81 THR CB C 81 70.113 70.113 69.892 0.221 25447 811 1 2 . 1 1 81 81 THR H H 81 7.685 7.685 8.306 -0.621 25447 812 1 2 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.525 0.164 25447 813 1 2 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.083 -0.395 25447 814 1 2 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.857 0.112 25447 815 1 2 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.481 0.000 25447 816 1 2 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.484 0.446 25447 817 1 2 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.566 -0.373 25447 818 1 2 . 1 1 84 84 VAL N N 84 120.691 120.691 118.354 2.337 25447 819 1 2 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.275 -0.182 25447 820 1 2 . 1 1 84 84 VAL CA C 84 62.339 62.339 60.868 1.471 25447 821 1 2 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.928 -0.077 25447 822 1 2 . 1 1 84 84 VAL H H 84 8.257 8.257 7.971 0.286 25447 823 1 2 . 1 1 85 85 GLU N N 85 127.655 127.655 124.649 3.006 25447 824 1 2 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.837 0.447 25447 825 1 2 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.174 0.580 25447 826 1 2 . 1 1 85 85 GLU CB C 85 30.559 30.559 29.640 0.919 25447 827 1 2 . 1 1 85 85 GLU H H 85 8.202 8.202 8.688 -0.486 25447 828 1 2 . 1 1 86 86 ALA N N 86 126.437 126.437 122.618 3.819 25447 829 1 2 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.176 -0.125 25447 830 1 2 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.820 -0.672 25447 831 1 2 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.474 -0.014 25447 832 1 2 . 1 1 86 86 ALA H H 86 8.323 8.323 8.177 0.146 25447 833 1 2 . 1 1 87 87 LYS N N 87 121.796 121.796 121.829 -0.033 25447 834 1 2 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.050 0.297 25447 835 1 2 . 1 1 87 87 LYS CA C 87 56.297 56.297 57.898 -1.601 25447 836 1 2 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.616 0.660 25447 837 1 2 . 1 1 87 87 LYS H H 87 8.333 8.333 8.520 -0.187 25447 838 1 2 . 1 1 88 88 LEU N N 88 125.576 125.576 120.561 5.015 25447 839 1 2 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.456 -0.549 25447 840 1 2 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.754 1.018 25447 841 1 2 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.362 0.110 25447 842 1 2 . 1 1 88 88 LEU H H 88 8.444 8.444 7.644 0.800 25447 843 1 3 . 1 1 1 1 MET N N 1 120.668 120.668 121.258 -0.590 25447 844 1 3 . 1 1 1 1 MET HA H 1 4.484 4.484 4.657 -0.173 25447 845 1 3 . 1 1 1 1 MET CA C 1 55.257 55.257 55.072 0.186 25447 846 1 3 . 1 1 1 1 MET CB C 1 34.517 34.517 34.106 0.411 25447 847 1 3 . 1 1 1 1 MET H H 1 8.313 8.313 8.094 0.219 25447 848 1 3 . 1 1 2 2 GLN N N 2 123.739 123.739 118.393 5.346 25447 849 1 3 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.544 -0.514 25447 850 1 3 . 1 1 2 2 GLN CA C 2 57.874 57.874 54.865 3.009 25447 851 1 3 . 1 1 2 2 GLN CB C 2 29.938 29.938 29.750 0.188 25447 852 1 3 . 1 1 2 2 GLN H H 2 9.455 9.455 8.425 1.030 25447 853 1 3 . 1 1 3 3 HIS N N 3 119.115 119.115 118.761 0.354 25447 854 1 3 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.137 0.979 25447 855 1 3 . 1 1 3 3 HIS CA C 3 55.494 55.494 57.246 -1.752 25447 856 1 3 . 1 1 3 3 HIS CB C 3 31.015 31.015 28.442 2.573 25447 857 1 3 . 1 1 3 3 HIS H H 3 9.783 9.783 8.691 1.092 25447 858 1 3 . 1 1 4 4 ALA N N 4 122.648 122.648 121.452 1.196 25447 859 1 3 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.017 -0.114 25447 860 1 3 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.127 1.351 25447 861 1 3 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.476 0.718 25447 862 1 3 . 1 1 4 4 ALA H H 4 7.551 7.551 8.651 -1.100 25447 863 1 3 . 1 1 5 5 SER N N 5 112.599 112.599 113.759 -1.160 25447 864 1 3 . 1 1 5 5 SER HA H 5 4.298 4.298 4.251 0.047 25447 865 1 3 . 1 1 5 5 SER CA C 5 62.117 62.117 61.780 0.337 25447 866 1 3 . 1 1 5 5 SER CB C 5 62.334 62.334 62.408 -0.075 25447 867 1 3 . 1 1 5 5 SER H H 5 8.736 8.736 8.530 0.206 25447 868 1 3 . 1 1 6 6 VAL N N 6 122.866 122.866 122.668 0.198 25447 869 1 3 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.798 0.307 25447 870 1 3 . 1 1 6 6 VAL CA C 6 65.732 65.732 65.891 -0.159 25447 871 1 3 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.608 1.129 25447 872 1 3 . 1 1 6 6 VAL H H 6 7.660 7.660 7.581 0.079 25447 873 1 3 . 1 1 7 7 ILE N N 7 121.715 121.715 120.054 1.661 25447 874 1 3 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.104 0.120 25447 875 1 3 . 1 1 7 7 ILE CA C 7 65.329 65.329 66.093 -0.764 25447 876 1 3 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.523 1.170 25447 877 1 3 . 1 1 7 7 ILE H H 7 8.519 8.519 7.766 0.753 25447 878 1 3 . 1 1 8 8 ALA N N 8 121.373 121.373 121.301 0.072 25447 879 1 3 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.024 -0.129 25447 880 1 3 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.310 0.947 25447 881 1 3 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.004 0.636 25447 882 1 3 . 1 1 8 8 ALA H H 8 8.940 8.940 8.142 0.798 25447 883 1 3 . 1 1 9 9 GLN N N 9 115.076 115.076 119.227 -4.151 25447 884 1 3 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.913 -0.043 25447 885 1 3 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.982 0.210 25447 886 1 3 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.555 -0.417 25447 887 1 3 . 1 1 9 9 GLN H H 9 7.729 7.729 8.195 -0.466 25447 888 1 3 . 1 1 10 10 PHE N N 10 120.207 120.207 118.052 2.155 25447 889 1 3 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.918 0.167 25447 890 1 3 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.387 -0.494 25447 891 1 3 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.276 0.656 25447 892 1 3 . 1 1 10 10 PHE H H 10 7.301 7.301 7.766 -0.465 25447 893 1 3 . 1 1 11 11 VAL N N 11 117.569 117.569 118.721 -1.152 25447 894 1 3 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.868 -0.561 25447 895 1 3 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.746 0.762 25447 896 1 3 . 1 1 11 11 VAL CB C 11 31.487 31.487 32.156 -0.669 25447 897 1 3 . 1 1 11 11 VAL H H 11 8.370 8.370 7.784 0.586 25447 898 1 3 . 1 1 12 12 VAL N N 12 117.909 117.909 116.613 1.296 25447 899 1 3 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.708 0.033 25447 900 1 3 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.261 -0.385 25447 901 1 3 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.113 0.199 25447 902 1 3 . 1 1 12 12 VAL H H 12 8.294 8.294 8.031 0.263 25447 903 1 3 . 1 1 13 13 GLU N N 13 117.918 117.918 119.351 -1.433 25447 904 1 3 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.937 -0.195 25447 905 1 3 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.697 0.610 25447 906 1 3 . 1 1 13 13 GLU CB C 13 29.489 29.489 28.978 0.511 25447 907 1 3 . 1 1 13 13 GLU H H 13 7.750 7.750 7.990 -0.240 25447 908 1 3 . 1 1 14 14 GLU N N 14 113.478 113.478 117.189 -3.711 25447 909 1 3 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.109 -0.331 25447 910 1 3 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.686 -1.886 25447 911 1 3 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.097 -0.454 25447 912 1 3 . 1 1 14 14 GLU H H 14 7.603 7.603 8.203 -0.600 25447 913 1 3 . 1 1 15 15 PHE N N 15 114.193 114.193 114.599 -0.406 25447 914 1 3 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.598 0.341 25447 915 1 3 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.323 -0.228 25447 916 1 3 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.265 -0.170 25447 917 1 3 . 1 1 15 15 PHE H H 15 7.908 7.908 7.490 0.418 25447 918 1 3 . 1 1 16 16 LEU N N 16 121.492 121.492 121.836 -0.344 25447 919 1 3 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.766 0.201 25447 920 1 3 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.234 0.143 25447 921 1 3 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.481 1.252 25447 922 1 3 . 1 1 16 16 LEU H H 16 8.015 8.015 8.313 -0.298 25447 923 1 3 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.354 0.029 25447 924 1 3 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.238 0.620 25447 925 1 3 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.856 -0.027 25447 926 1 3 . 1 1 18 18 ASP N N 18 116.508 116.508 117.502 -0.994 25447 927 1 3 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.555 0.013 25447 928 1 3 . 1 1 18 18 ASP CA C 18 54.688 54.688 52.979 1.709 25447 929 1 3 . 1 1 18 18 ASP CB C 18 40.626 40.626 39.773 0.853 25447 930 1 3 . 1 1 18 18 ASP H H 18 8.399 8.399 8.501 -0.102 25447 931 1 3 . 1 1 19 19 VAL N N 19 122.135 122.135 121.410 0.725 25447 932 1 3 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.126 -0.008 25447 933 1 3 . 1 1 19 19 VAL CA C 19 61.293 61.293 61.025 0.268 25447 934 1 3 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.459 0.123 25447 935 1 3 . 1 1 19 19 VAL H H 19 7.760 7.760 7.186 0.574 25447 936 1 3 . 1 1 20 20 ALA N N 20 129.301 129.301 131.341 -2.040 25447 937 1 3 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.475 0.124 25447 938 1 3 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.325 -0.055 25447 939 1 3 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.232 -0.804 25447 940 1 3 . 1 1 20 20 ALA H H 20 8.761 8.761 8.338 0.423 25447 941 1 3 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.152 -0.075 25447 942 1 3 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.464 0.739 25447 943 1 3 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.760 -0.352 25447 944 1 3 . 1 1 22 22 ALA N N 22 116.106 116.106 116.734 -0.628 25447 945 1 3 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.147 -0.030 25447 946 1 3 . 1 1 22 22 ALA CA C 22 53.996 53.996 53.893 0.103 25447 947 1 3 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.147 0.697 25447 948 1 3 . 1 1 22 22 ALA H H 22 8.064 8.064 7.939 0.125 25447 949 1 3 . 1 1 23 23 ASP N N 23 115.541 115.541 117.734 -2.193 25447 950 1 3 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.628 0.049 25447 951 1 3 . 1 1 23 23 ASP CA C 23 54.336 54.336 54.140 0.196 25447 952 1 3 . 1 1 23 23 ASP CB C 23 41.353 41.353 41.212 0.141 25447 953 1 3 . 1 1 23 23 ASP H H 23 8.003 8.003 8.148 -0.145 25447 954 1 3 . 1 1 24 24 VAL N N 24 121.517 121.517 120.447 1.070 25447 955 1 3 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.176 -0.355 25447 956 1 3 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.471 0.874 25447 957 1 3 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.989 -1.256 25447 958 1 3 . 1 1 24 24 VAL H H 24 7.069 7.069 7.375 -0.306 25447 959 1 3 . 1 1 25 25 ASP N N 25 129.329 129.329 126.376 2.953 25447 960 1 3 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.732 -0.158 25447 961 1 3 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.076 1.490 25447 962 1 3 . 1 1 25 25 ASP CB C 25 42.333 42.333 42.102 0.231 25447 963 1 3 . 1 1 25 25 ASP H H 25 8.474 8.474 8.672 -0.198 25447 964 1 3 . 1 1 26 26 VAL N N 26 121.920 121.920 122.584 -0.664 25447 965 1 3 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.116 -0.008 25447 966 1 3 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.409 1.109 25447 967 1 3 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.639 -0.441 25447 968 1 3 . 1 1 26 26 VAL H H 26 8.591 8.591 8.714 -0.123 25447 969 1 3 . 1 1 27 27 ASP N N 27 116.286 116.286 119.427 -3.141 25447 970 1 3 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.686 0.459 25447 971 1 3 . 1 1 27 27 ASP CA C 27 54.181 54.181 55.374 -1.194 25447 972 1 3 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.705 0.870 25447 973 1 3 . 1 1 27 27 ASP H H 27 8.609 8.609 8.227 0.382 25447 974 1 3 . 1 1 28 28 LEU N N 28 125.116 125.116 122.203 2.913 25447 975 1 3 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.400 -0.389 25447 976 1 3 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.584 1.503 25447 977 1 3 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.286 0.035 25447 978 1 3 . 1 1 28 28 LEU H H 28 7.374 7.374 7.347 0.027 25447 979 1 3 . 1 1 29 29 ASP N N 29 125.924 125.924 124.750 1.174 25447 980 1 3 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.629 0.205 25447 981 1 3 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.842 -0.922 25447 982 1 3 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.531 -0.152 25447 983 1 3 . 1 1 29 29 ASP H H 29 8.699 8.699 8.566 0.133 25447 984 1 3 . 1 1 30 30 LEU N N 30 129.975 129.975 126.206 3.769 25447 985 1 3 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.149 -0.232 25447 986 1 3 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.332 -0.944 25447 987 1 3 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.405 -0.166 25447 988 1 3 . 1 1 30 30 LEU H H 30 9.718 9.718 8.243 1.475 25447 989 1 3 . 1 1 31 31 VAL N N 31 121.212 121.212 118.020 3.192 25447 990 1 3 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.613 0.580 25447 991 1 3 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.639 -2.207 25447 992 1 3 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.151 1.024 25447 993 1 3 . 1 1 31 31 VAL H H 31 8.163 8.163 7.459 0.704 25447 994 1 3 . 1 1 32 32 ASP N N 32 124.893 124.893 119.077 5.816 25447 995 1 3 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.343 0.015 25447 996 1 3 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.721 0.504 25447 997 1 3 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.063 0.672 25447 998 1 3 . 1 1 32 32 ASP H H 32 9.385 9.385 8.646 0.739 25447 999 1 3 . 1 1 33 33 ASN N N 33 111.484 111.484 116.339 -4.855 25447 1000 1 3 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.596 0.124 25447 1001 1 3 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.686 0.200 25447 1002 1 3 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.039 -0.033 25447 1003 1 3 . 1 1 33 33 ASN H H 33 7.396 7.396 7.658 -0.262 25447 1004 1 3 . 1 1 34 34 GLY N N 34 106.957 106.957 106.239 0.718 25447 1005 1 3 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.687 0.920 25447 1006 1 3 . 1 1 34 34 GLY H H 34 7.618 7.618 7.973 -0.355 25447 1007 1 3 . 1 1 35 35 VAL N N 35 120.424 120.424 119.126 1.298 25447 1008 1 3 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.589 0.177 25447 1009 1 3 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.687 0.438 25447 1010 1 3 . 1 1 35 35 VAL CB C 35 31.879 31.879 32.061 -0.182 25447 1011 1 3 . 1 1 35 35 VAL H H 35 7.792 7.792 7.772 0.020 25447 1012 1 3 . 1 1 36 36 ILE N N 36 116.364 116.364 120.751 -4.387 25447 1013 1 3 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.923 -0.186 25447 1014 1 3 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.506 -0.821 25447 1015 1 3 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.426 1.381 25447 1016 1 3 . 1 1 36 36 ILE H H 36 7.331 7.331 7.807 -0.476 25447 1017 1 3 . 1 1 37 37 ASP N N 37 127.306 127.306 127.931 -0.625 25447 1018 1 3 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.739 -0.075 25447 1019 1 3 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.703 -1.087 25447 1020 1 3 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.895 -1.685 25447 1021 1 3 . 1 1 37 37 ASP H H 37 7.874 7.874 7.891 -0.017 25447 1022 1 3 . 1 1 38 38 ALA N N 38 120.352 120.352 123.168 -2.816 25447 1023 1 3 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.048 -0.053 25447 1024 1 3 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.403 0.889 25447 1025 1 3 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.593 -0.281 25447 1026 1 3 . 1 1 38 38 ALA H H 38 8.244 8.244 8.365 -0.121 25447 1027 1 3 . 1 1 39 39 LEU N N 39 117.438 117.438 118.177 -0.739 25447 1028 1 3 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.154 0.096 25447 1029 1 3 . 1 1 39 39 LEU CA C 39 57.355 57.355 56.989 0.366 25447 1030 1 3 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.114 0.123 25447 1031 1 3 . 1 1 39 39 LEU H H 39 7.688 7.688 8.388 -0.700 25447 1032 1 3 . 1 1 40 40 GLY N N 40 112.015 112.015 108.057 3.958 25447 1033 1 3 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.145 0.954 25447 1034 1 3 . 1 1 40 40 GLY H H 40 8.732 8.732 8.189 0.543 25447 1035 1 3 . 1 1 41 41 LEU N N 41 122.983 122.983 123.347 -0.364 25447 1036 1 3 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.883 -0.032 25447 1037 1 3 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.737 0.595 25447 1038 1 3 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.852 -0.213 25447 1039 1 3 . 1 1 41 41 LEU H H 41 8.548 8.548 8.369 0.179 25447 1040 1 3 . 1 1 42 42 LEU N N 42 116.076 116.076 119.833 -3.757 25447 1041 1 3 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.918 0.110 25447 1042 1 3 . 1 1 42 42 LEU CA C 42 58.064 58.064 57.975 0.089 25447 1043 1 3 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.478 -0.538 25447 1044 1 3 . 1 1 42 42 LEU H H 42 7.168 7.168 7.586 -0.418 25447 1045 1 3 . 1 1 43 43 LYS N N 43 119.831 119.831 118.967 0.864 25447 1046 1 3 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.024 0.260 25447 1047 1 3 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.915 -0.271 25447 1048 1 3 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.255 0.272 25447 1049 1 3 . 1 1 43 43 LYS H H 43 7.640 7.640 8.270 -0.630 25447 1050 1 3 . 1 1 44 44 VAL N N 44 121.046 121.046 120.326 0.720 25447 1051 1 3 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.045 -0.096 25447 1052 1 3 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.571 0.072 25447 1053 1 3 . 1 1 44 44 VAL H H 44 8.269 8.269 7.782 0.487 25447 1054 1 3 . 1 1 45 45 ILE N N 45 119.333 119.333 119.741 -0.408 25447 1055 1 3 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.633 -0.229 25447 1056 1 3 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.774 1.374 25447 1057 1 3 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.290 0.987 25447 1058 1 3 . 1 1 45 45 ILE H H 45 8.145 8.145 7.772 0.373 25447 1059 1 3 . 1 1 46 46 ALA N N 46 121.213 121.213 123.433 -2.220 25447 1060 1 3 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.105 0.152 25447 1061 1 3 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.200 -0.036 25447 1062 1 3 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.370 -0.003 25447 1063 1 3 . 1 1 46 46 ALA H H 46 7.792 7.792 7.944 -0.152 25447 1064 1 3 . 1 1 47 47 TRP N N 47 121.416 121.416 120.241 1.175 25447 1065 1 3 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.406 -0.172 25447 1066 1 3 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.986 1.684 25447 1067 1 3 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.422 -1.183 25447 1068 1 3 . 1 1 47 47 TRP H H 47 8.093 8.093 7.905 0.188 25447 1069 1 3 . 1 1 48 48 LEU N N 48 118.963 118.963 121.052 -2.089 25447 1070 1 3 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.749 0.837 25447 1071 1 3 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.520 0.675 25447 1072 1 3 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.088 1.163 25447 1073 1 3 . 1 1 48 48 LEU H H 48 8.693 8.693 7.375 1.318 25447 1074 1 3 . 1 1 49 49 GLU N N 49 119.131 119.131 117.546 1.585 25447 1075 1 3 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.986 0.064 25447 1076 1 3 . 1 1 49 49 GLU CA C 49 59.862 59.862 58.921 0.941 25447 1077 1 3 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.738 0.849 25447 1078 1 3 . 1 1 49 49 GLU H H 49 7.771 7.771 7.764 0.007 25447 1079 1 3 . 1 1 50 50 ASP N N 50 119.941 119.941 120.322 -0.381 25447 1080 1 3 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.398 -0.161 25447 1081 1 3 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.105 1.250 25447 1082 1 3 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.756 1.627 25447 1083 1 3 . 1 1 50 50 ASP H H 50 7.697 7.697 7.638 0.059 25447 1084 1 3 . 1 1 51 51 ARG N N 51 116.911 116.911 117.024 -0.113 25447 1085 1 3 . 1 1 51 51 ARG HA H 51 3.736 3.736 3.978 -0.242 25447 1086 1 3 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.051 -1.687 25447 1087 1 3 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.262 -0.947 25447 1088 1 3 . 1 1 51 51 ARG H H 51 8.881 8.881 7.768 1.113 25447 1089 1 3 . 1 1 52 52 PHE N N 52 112.328 112.328 115.373 -3.045 25447 1090 1 3 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.584 0.091 25447 1091 1 3 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.709 -0.296 25447 1092 1 3 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.584 1.308 25447 1093 1 3 . 1 1 52 52 PHE H H 52 7.284 7.284 7.494 -0.210 25447 1094 1 3 . 1 1 53 53 GLY N N 53 109.826 109.826 109.633 0.193 25447 1095 1 3 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.535 1.266 25447 1096 1 3 . 1 1 53 53 GLY H H 53 7.427 7.427 8.184 -0.757 25447 1097 1 3 . 1 1 54 54 ILE N N 54 119.127 119.127 114.947 4.180 25447 1098 1 3 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.488 -0.537 25447 1099 1 3 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.339 1.346 25447 1100 1 3 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.407 0.083 25447 1101 1 3 . 1 1 54 54 ILE H H 54 6.876 6.876 7.501 -0.625 25447 1102 1 3 . 1 1 55 55 ALA N N 55 129.823 129.823 125.193 4.630 25447 1103 1 3 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.563 -0.149 25447 1104 1 3 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.715 0.895 25447 1105 1 3 . 1 1 55 55 ALA CB C 55 19.262 19.262 19.471 -0.209 25447 1106 1 3 . 1 1 55 55 ALA H H 55 8.499 8.499 8.649 -0.150 25447 1107 1 3 . 1 1 56 56 ALA N N 56 126.300 126.300 127.548 -1.248 25447 1108 1 3 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.099 0.170 25447 1109 1 3 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.632 -1.158 25447 1110 1 3 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.536 0.708 25447 1111 1 3 . 1 1 56 56 ALA H H 56 8.641 8.641 9.034 -0.393 25447 1112 1 3 . 1 1 57 57 ASP N N 57 116.395 116.395 116.602 -0.207 25447 1113 1 3 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.406 0.073 25447 1114 1 3 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.162 -0.936 25447 1115 1 3 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.392 0.529 25447 1116 1 3 . 1 1 57 57 ASP H H 57 8.337 8.337 8.518 -0.181 25447 1117 1 3 . 1 1 58 58 ASP N N 58 118.557 118.557 118.758 -0.201 25447 1118 1 3 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.435 0.201 25447 1119 1 3 . 1 1 58 58 ASP CA C 58 55.144 55.144 56.070 -0.926 25447 1120 1 3 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.261 0.243 25447 1121 1 3 . 1 1 58 58 ASP H H 58 8.027 8.027 7.914 0.113 25447 1122 1 3 . 1 1 59 59 VAL N N 59 118.898 118.898 118.583 0.315 25447 1123 1 3 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.256 -0.080 25447 1124 1 3 . 1 1 59 59 VAL CA C 59 62.300 62.300 60.551 1.749 25447 1125 1 3 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.500 -1.422 25447 1126 1 3 . 1 1 59 59 VAL H H 59 7.716 7.716 7.555 0.161 25447 1127 1 3 . 1 1 60 60 GLU N N 60 122.888 122.888 126.004 -3.116 25447 1128 1 3 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.413 -0.129 25447 1129 1 3 . 1 1 60 60 GLU CA C 60 56.546 56.546 56.081 0.465 25447 1130 1 3 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.458 -0.676 25447 1131 1 3 . 1 1 60 60 GLU H H 60 8.367 8.367 8.409 -0.042 25447 1132 1 3 . 1 1 61 61 LEU N N 61 124.827 124.827 125.822 -0.995 25447 1133 1 3 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.552 -0.194 25447 1134 1 3 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.079 0.737 25447 1135 1 3 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.309 -1.372 25447 1136 1 3 . 1 1 61 61 LEU H H 61 8.198 8.198 8.584 -0.386 25447 1137 1 3 . 1 1 62 62 SER N N 62 118.715 118.715 117.721 0.994 25447 1138 1 3 . 1 1 62 62 SER HA H 62 4.809 4.809 4.933 -0.124 25447 1139 1 3 . 1 1 62 62 SER CA C 62 55.732 55.732 55.153 0.579 25447 1140 1 3 . 1 1 62 62 SER CB C 62 64.017 64.017 64.512 -0.495 25447 1141 1 3 . 1 1 62 62 SER H H 62 8.137 8.137 8.287 -0.150 25447 1142 1 3 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.298 -0.045 25447 1143 1 3 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.240 -0.344 25447 1144 1 3 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.768 0.284 25447 1145 1 3 . 1 1 64 64 GLU N N 64 116.554 116.554 118.039 -1.485 25447 1146 1 3 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.120 -0.247 25447 1147 1 3 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.937 -0.218 25447 1148 1 3 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.016 -0.335 25447 1149 1 3 . 1 1 64 64 GLU H H 64 8.316 8.316 8.914 -0.598 25447 1150 1 3 . 1 1 65 65 HIS N N 65 115.487 115.487 119.256 -3.769 25447 1151 1 3 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.227 0.053 25447 1152 1 3 . 1 1 65 65 HIS CA C 65 57.652 57.652 57.799 -0.147 25447 1153 1 3 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.613 0.269 25447 1154 1 3 . 1 1 65 65 HIS H H 65 7.274 7.274 8.258 -0.984 25447 1155 1 3 . 1 1 66 66 PHE N N 66 116.127 116.127 115.911 0.216 25447 1156 1 3 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.445 0.321 25447 1157 1 3 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.654 -1.872 25447 1158 1 3 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.761 1.147 25447 1159 1 3 . 1 1 66 66 PHE H H 66 7.239 7.239 7.649 -0.410 25447 1160 1 3 . 1 1 67 67 ARG N N 67 112.468 112.468 119.768 -7.300 25447 1161 1 3 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.011 0.074 25447 1162 1 3 . 1 1 67 67 ARG CA C 67 58.287 58.287 58.769 -0.482 25447 1163 1 3 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.570 1.190 25447 1164 1 3 . 1 1 67 67 ARG H H 67 6.628 6.628 7.943 -1.315 25447 1165 1 3 . 1 1 68 68 SER N N 68 109.305 109.305 110.856 -1.551 25447 1166 1 3 . 1 1 68 68 SER HA H 68 4.980 4.980 4.888 0.092 25447 1167 1 3 . 1 1 68 68 SER CA C 68 55.785 55.785 56.941 -1.156 25447 1168 1 3 . 1 1 68 68 SER CB C 68 67.691 67.691 65.961 1.730 25447 1169 1 3 . 1 1 68 68 SER H H 68 8.145 8.145 7.484 0.661 25447 1170 1 3 . 1 1 69 69 ILE N N 69 122.602 122.602 122.302 0.300 25447 1171 1 3 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.770 -0.094 25447 1172 1 3 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.407 1.347 25447 1173 1 3 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.707 -0.411 25447 1174 1 3 . 1 1 69 69 ILE H H 69 9.775 9.775 9.010 0.765 25447 1175 1 3 . 1 1 70 70 ARG N N 70 118.764 118.764 119.075 -0.311 25447 1176 1 3 . 1 1 70 70 ARG HA H 70 3.955 3.955 4.066 -0.111 25447 1177 1 3 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.686 0.847 25447 1178 1 3 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.879 0.539 25447 1179 1 3 . 1 1 70 70 ARG H H 70 8.910 8.910 8.585 0.325 25447 1180 1 3 . 1 1 71 71 SER N N 71 117.670 117.670 115.471 2.199 25447 1181 1 3 . 1 1 71 71 SER HA H 71 4.330 4.330 4.329 0.001 25447 1182 1 3 . 1 1 71 71 SER CA C 71 62.287 62.287 61.460 0.827 25447 1183 1 3 . 1 1 71 71 SER CB C 71 63.278 63.278 62.405 0.873 25447 1184 1 3 . 1 1 71 71 SER H H 71 8.518 8.518 7.627 0.891 25447 1185 1 3 . 1 1 72 72 ILE N N 72 127.447 127.447 124.665 2.782 25447 1186 1 3 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.894 0.016 25447 1187 1 3 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.301 1.510 25447 1188 1 3 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.529 0.869 25447 1189 1 3 . 1 1 72 72 ILE H H 72 8.762 8.762 7.387 1.375 25447 1190 1 3 . 1 1 73 73 ASP N N 73 121.636 121.636 120.425 1.211 25447 1191 1 3 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.340 -0.327 25447 1192 1 3 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.411 1.737 25447 1193 1 3 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.684 2.856 25447 1194 1 3 . 1 1 73 73 ASP H H 73 8.677 8.677 8.291 0.386 25447 1195 1 3 . 1 1 74 74 ALA N N 74 118.793 118.793 122.063 -3.270 25447 1196 1 3 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.098 -0.054 25447 1197 1 3 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.066 0.256 25447 1198 1 3 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.345 -0.400 25447 1199 1 3 . 1 1 74 74 ALA H H 74 8.005 8.005 7.755 0.250 25447 1200 1 3 . 1 1 75 75 PHE N N 75 121.235 121.235 119.901 1.334 25447 1201 1 3 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.007 0.031 25447 1202 1 3 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.640 -0.625 25447 1203 1 3 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.254 -0.416 25447 1204 1 3 . 1 1 75 75 PHE H H 75 8.353 8.353 8.439 -0.086 25447 1205 1 3 . 1 1 76 76 VAL N N 76 120.866 120.866 118.864 2.002 25447 1206 1 3 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.329 -0.386 25447 1207 1 3 . 1 1 76 76 VAL CA C 76 66.901 66.901 67.051 -0.150 25447 1208 1 3 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.295 -0.048 25447 1209 1 3 . 1 1 76 76 VAL H H 76 8.544 8.544 8.458 0.086 25447 1210 1 3 . 1 1 77 77 VAL N N 77 121.408 121.408 119.936 1.472 25447 1211 1 3 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.713 -0.218 25447 1212 1 3 . 1 1 77 77 VAL CA C 77 66.833 66.833 65.195 1.638 25447 1213 1 3 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.069 0.861 25447 1214 1 3 . 1 1 77 77 VAL H H 77 8.708 8.708 8.237 0.471 25447 1215 1 3 . 1 1 78 78 GLY N N 78 106.402 106.402 106.745 -0.343 25447 1216 1 3 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.881 -0.041 25447 1217 1 3 . 1 1 78 78 GLY H H 78 7.945 7.945 8.509 -0.564 25447 1218 1 3 . 1 1 79 79 ALA N N 79 121.146 121.146 122.639 -1.493 25447 1219 1 3 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.872 0.335 25447 1220 1 3 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.362 -1.433 25447 1221 1 3 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.184 1.077 25447 1222 1 3 . 1 1 79 79 ALA H H 79 7.639 7.639 7.554 0.085 25447 1223 1 3 . 1 1 80 80 THR N N 80 107.668 107.668 110.277 -2.609 25447 1224 1 3 . 1 1 80 80 THR HA H 80 4.443 4.443 4.250 0.193 25447 1225 1 3 . 1 1 80 80 THR CA C 80 61.406 61.406 63.051 -1.645 25447 1226 1 3 . 1 1 80 80 THR CB C 80 70.767 70.767 69.437 1.330 25447 1227 1 3 . 1 1 80 80 THR H H 80 7.449 7.449 7.668 -0.219 25447 1228 1 3 . 1 1 81 81 THR N N 81 119.953 119.953 116.559 3.394 25447 1229 1 3 . 1 1 81 81 THR HA H 81 4.665 4.665 4.775 -0.110 25447 1230 1 3 . 1 1 81 81 THR CA C 81 60.412 60.412 58.958 1.454 25447 1231 1 3 . 1 1 81 81 THR CB C 81 70.113 70.113 69.447 0.666 25447 1232 1 3 . 1 1 81 81 THR H H 81 7.685 7.685 7.658 0.027 25447 1233 1 3 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.599 0.090 25447 1234 1 3 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.172 -0.485 25447 1235 1 3 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.620 0.348 25447 1236 1 3 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.580 -0.099 25447 1237 1 3 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.331 0.600 25447 1238 1 3 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.894 -0.701 25447 1239 1 3 . 1 1 84 84 VAL N N 84 120.691 120.691 121.239 -0.548 25447 1240 1 3 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.164 -0.071 25447 1241 1 3 . 1 1 84 84 VAL CA C 84 62.339 62.339 62.219 0.120 25447 1242 1 3 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.892 -0.041 25447 1243 1 3 . 1 1 84 84 VAL H H 84 8.257 8.257 8.063 0.194 25447 1244 1 3 . 1 1 85 85 GLU N N 85 127.655 127.655 124.101 3.554 25447 1245 1 3 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.928 0.356 25447 1246 1 3 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.099 0.655 25447 1247 1 3 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.073 2.486 25447 1248 1 3 . 1 1 85 85 GLU H H 85 8.202 8.202 8.733 -0.531 25447 1249 1 3 . 1 1 86 86 ALA N N 86 126.437 126.437 121.959 4.478 25447 1250 1 3 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.194 -0.143 25447 1251 1 3 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.440 -0.292 25447 1252 1 3 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.563 -0.103 25447 1253 1 3 . 1 1 86 86 ALA H H 86 8.323 8.323 8.074 0.249 25447 1254 1 3 . 1 1 87 87 LYS N N 87 121.796 121.796 120.731 1.065 25447 1255 1 3 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.097 0.250 25447 1256 1 3 . 1 1 87 87 LYS CA C 87 56.297 56.297 56.341 -0.044 25447 1257 1 3 . 1 1 87 87 LYS CB C 87 33.276 33.276 33.113 0.163 25447 1258 1 3 . 1 1 87 87 LYS H H 87 8.333 8.333 8.399 -0.066 25447 1259 1 3 . 1 1 88 88 LEU N N 88 125.576 125.576 119.279 6.297 25447 1260 1 3 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.054 -0.147 25447 1261 1 3 . 1 1 88 88 LEU CA C 88 55.772 55.772 56.682 -0.910 25447 1262 1 3 . 1 1 88 88 LEU CB C 88 42.472 42.472 41.919 0.553 25447 1263 1 3 . 1 1 88 88 LEU H H 88 8.444 8.444 8.522 -0.078 25447 1264 1 4 . 1 1 1 1 MET N N 1 120.668 120.668 116.302 4.366 25447 1265 1 4 . 1 1 1 1 MET HA H 1 4.484 4.484 4.718 -0.234 25447 1266 1 4 . 1 1 1 1 MET CA C 1 55.257 55.257 55.252 0.005 25447 1267 1 4 . 1 1 1 1 MET CB C 1 34.517 34.517 33.808 0.709 25447 1268 1 4 . 1 1 1 1 MET H H 1 8.313 8.313 8.070 0.243 25447 1269 1 4 . 1 1 2 2 GLN N N 2 123.739 123.739 124.554 -0.815 25447 1270 1 4 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.207 -0.177 25447 1271 1 4 . 1 1 2 2 GLN CA C 2 57.874 57.874 55.376 2.498 25447 1272 1 4 . 1 1 2 2 GLN CB C 2 29.938 29.938 28.916 1.022 25447 1273 1 4 . 1 1 2 2 GLN H H 2 9.455 9.455 8.277 1.178 25447 1274 1 4 . 1 1 3 3 HIS N N 3 119.115 119.115 120.184 -1.069 25447 1275 1 4 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.200 0.916 25447 1276 1 4 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.131 -0.637 25447 1277 1 4 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.909 3.106 25447 1278 1 4 . 1 1 3 3 HIS H H 3 9.783 9.783 9.062 0.721 25447 1279 1 4 . 1 1 4 4 ALA N N 4 122.648 122.648 121.650 0.998 25447 1280 1 4 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.079 -0.176 25447 1281 1 4 . 1 1 4 4 ALA CA C 4 56.479 56.479 54.924 1.555 25447 1282 1 4 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.836 0.358 25447 1283 1 4 . 1 1 4 4 ALA H H 4 7.551 7.551 8.078 -0.527 25447 1284 1 4 . 1 1 5 5 SER N N 5 112.599 112.599 112.860 -0.261 25447 1285 1 4 . 1 1 5 5 SER HA H 5 4.298 4.298 4.163 0.135 25447 1286 1 4 . 1 1 5 5 SER CA C 5 62.117 62.117 61.159 0.958 25447 1287 1 4 . 1 1 5 5 SER CB C 5 62.334 62.334 62.880 -0.546 25447 1288 1 4 . 1 1 5 5 SER H H 5 8.736 8.736 8.336 0.400 25447 1289 1 4 . 1 1 6 6 VAL N N 6 122.866 122.866 121.539 1.327 25447 1290 1 4 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.772 0.333 25447 1291 1 4 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.384 -0.652 25447 1292 1 4 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.729 1.008 25447 1293 1 4 . 1 1 6 6 VAL H H 6 7.660 7.660 7.525 0.135 25447 1294 1 4 . 1 1 7 7 ILE N N 7 121.715 121.715 120.061 1.654 25447 1295 1 4 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.127 0.097 25447 1296 1 4 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.834 -0.505 25447 1297 1 4 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.526 1.167 25447 1298 1 4 . 1 1 7 7 ILE H H 7 8.519 8.519 7.517 1.002 25447 1299 1 4 . 1 1 8 8 ALA N N 8 121.373 121.373 121.398 -0.025 25447 1300 1 4 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.012 -0.117 25447 1301 1 4 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.344 0.913 25447 1302 1 4 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.004 0.636 25447 1303 1 4 . 1 1 8 8 ALA H H 8 8.940 8.940 8.220 0.720 25447 1304 1 4 . 1 1 9 9 GLN N N 9 115.076 115.076 119.283 -4.207 25447 1305 1 4 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.938 -0.068 25447 1306 1 4 . 1 1 9 9 GLN CA C 9 59.192 59.192 59.000 0.192 25447 1307 1 4 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.614 -0.476 25447 1308 1 4 . 1 1 9 9 GLN H H 9 7.729 7.729 7.906 -0.177 25447 1309 1 4 . 1 1 10 10 PHE N N 10 120.207 120.207 118.816 1.391 25447 1310 1 4 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.878 0.207 25447 1311 1 4 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.773 -0.880 25447 1312 1 4 . 1 1 10 10 PHE CB C 10 38.932 38.932 37.959 0.973 25447 1313 1 4 . 1 1 10 10 PHE H H 10 7.301 7.301 7.852 -0.551 25447 1314 1 4 . 1 1 11 11 VAL N N 11 117.569 117.569 120.041 -2.472 25447 1315 1 4 . 1 1 11 11 VAL HA H 11 3.307 3.307 4.033 -0.726 25447 1316 1 4 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.958 0.550 25447 1317 1 4 . 1 1 11 11 VAL CB C 11 31.487 31.487 32.021 -0.534 25447 1318 1 4 . 1 1 11 11 VAL H H 11 8.370 8.370 7.846 0.524 25447 1319 1 4 . 1 1 12 12 VAL N N 12 117.909 117.909 119.876 -1.967 25447 1320 1 4 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.589 0.152 25447 1321 1 4 . 1 1 12 12 VAL CA C 12 65.876 65.876 67.093 -1.217 25447 1322 1 4 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.635 -0.323 25447 1323 1 4 . 1 1 12 12 VAL H H 12 8.294 8.294 8.064 0.230 25447 1324 1 4 . 1 1 13 13 GLU N N 13 117.918 117.918 118.138 -0.220 25447 1325 1 4 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.965 -0.223 25447 1326 1 4 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.427 0.880 25447 1327 1 4 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.268 0.221 25447 1328 1 4 . 1 1 13 13 GLU H H 13 7.750 7.750 8.152 -0.402 25447 1329 1 4 . 1 1 14 14 GLU N N 14 113.478 113.478 118.148 -4.670 25447 1330 1 4 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.126 -0.348 25447 1331 1 4 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.775 -1.975 25447 1332 1 4 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.285 -0.642 25447 1333 1 4 . 1 1 14 14 GLU H H 14 7.603 7.603 7.984 -0.381 25447 1334 1 4 . 1 1 15 15 PHE N N 15 114.193 114.193 115.803 -1.610 25447 1335 1 4 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.585 0.354 25447 1336 1 4 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.584 -0.488 25447 1337 1 4 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.274 -0.179 25447 1338 1 4 . 1 1 15 15 PHE H H 15 7.908 7.908 7.602 0.306 25447 1339 1 4 . 1 1 16 16 LEU N N 16 121.492 121.492 121.645 -0.153 25447 1340 1 4 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.793 0.174 25447 1341 1 4 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.151 0.226 25447 1342 1 4 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.397 1.336 25447 1343 1 4 . 1 1 16 16 LEU H H 16 8.015 8.015 8.020 -0.005 25447 1344 1 4 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.399 -0.016 25447 1345 1 4 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.041 0.817 25447 1346 1 4 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.770 0.059 25447 1347 1 4 . 1 1 18 18 ASP N N 18 116.508 116.508 117.954 -1.446 25447 1348 1 4 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.617 -0.049 25447 1349 1 4 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.554 1.134 25447 1350 1 4 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.846 -0.220 25447 1351 1 4 . 1 1 18 18 ASP H H 18 8.399 8.399 8.473 -0.073 25447 1352 1 4 . 1 1 19 19 VAL N N 19 122.135 122.135 120.723 1.412 25447 1353 1 4 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.152 -0.034 25447 1354 1 4 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.392 0.901 25447 1355 1 4 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.250 0.332 25447 1356 1 4 . 1 1 19 19 VAL H H 19 7.760 7.760 7.268 0.492 25447 1357 1 4 . 1 1 20 20 ALA N N 20 129.301 129.301 130.641 -1.340 25447 1358 1 4 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.545 0.054 25447 1359 1 4 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.125 0.145 25447 1360 1 4 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.394 -0.966 25447 1361 1 4 . 1 1 20 20 ALA H H 20 8.761 8.761 8.482 0.279 25447 1362 1 4 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.168 -0.091 25447 1363 1 4 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.561 0.642 25447 1364 1 4 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.805 -0.397 25447 1365 1 4 . 1 1 22 22 ALA N N 22 116.106 116.106 118.324 -2.218 25447 1366 1 4 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.153 -0.036 25447 1367 1 4 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.047 -0.051 25447 1368 1 4 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.376 0.468 25447 1369 1 4 . 1 1 22 22 ALA H H 22 8.064 8.064 7.986 0.078 25447 1370 1 4 . 1 1 23 23 ASP N N 23 115.541 115.541 117.021 -1.480 25447 1371 1 4 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.561 0.116 25447 1372 1 4 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.731 0.605 25447 1373 1 4 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.299 1.054 25447 1374 1 4 . 1 1 23 23 ASP H H 23 8.003 8.003 8.154 -0.151 25447 1375 1 4 . 1 1 24 24 VAL N N 24 121.517 121.517 121.002 0.515 25447 1376 1 4 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.144 -0.323 25447 1377 1 4 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.652 0.693 25447 1378 1 4 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.992 -1.259 25447 1379 1 4 . 1 1 24 24 VAL H H 24 7.069 7.069 7.459 -0.390 25447 1380 1 4 . 1 1 25 25 ASP N N 25 129.329 129.329 126.873 2.456 25447 1381 1 4 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.836 -0.262 25447 1382 1 4 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.497 1.069 25447 1383 1 4 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.480 0.853 25447 1384 1 4 . 1 1 25 25 ASP H H 25 8.474 8.474 8.692 -0.218 25447 1385 1 4 . 1 1 26 26 VAL N N 26 121.920 121.920 120.206 1.714 25447 1386 1 4 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.053 0.055 25447 1387 1 4 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.422 1.096 25447 1388 1 4 . 1 1 26 26 VAL CB C 26 31.198 31.198 32.201 -1.003 25447 1389 1 4 . 1 1 26 26 VAL H H 26 8.591 8.591 8.532 0.059 25447 1390 1 4 . 1 1 27 27 ASP N N 27 116.286 116.286 118.968 -2.682 25447 1391 1 4 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.634 0.511 25447 1392 1 4 . 1 1 27 27 ASP CA C 27 54.181 54.181 55.147 -0.966 25447 1393 1 4 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.807 1.768 25447 1394 1 4 . 1 1 27 27 ASP H H 27 8.609 8.609 8.235 0.374 25447 1395 1 4 . 1 1 28 28 LEU N N 28 125.116 125.116 121.932 3.184 25447 1396 1 4 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.452 -0.441 25447 1397 1 4 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.568 1.520 25447 1398 1 4 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.708 -0.387 25447 1399 1 4 . 1 1 28 28 LEU H H 28 7.374 7.374 7.268 0.106 25447 1400 1 4 . 1 1 29 29 ASP N N 29 125.924 125.924 124.860 1.064 25447 1401 1 4 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.619 0.215 25447 1402 1 4 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.081 -1.161 25447 1403 1 4 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.373 0.006 25447 1404 1 4 . 1 1 29 29 ASP H H 29 8.699 8.699 8.640 0.059 25447 1405 1 4 . 1 1 30 30 LEU N N 30 129.975 129.975 124.729 5.246 25447 1406 1 4 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.107 -0.190 25447 1407 1 4 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.449 -1.061 25447 1408 1 4 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.428 -0.189 25447 1409 1 4 . 1 1 30 30 LEU H H 30 9.718 9.718 8.288 1.430 25447 1410 1 4 . 1 1 31 31 VAL N N 31 121.212 121.212 117.855 3.357 25447 1411 1 4 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.574 0.619 25447 1412 1 4 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.512 -2.079 25447 1413 1 4 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.719 0.456 25447 1414 1 4 . 1 1 31 31 VAL H H 31 8.163 8.163 7.593 0.570 25447 1415 1 4 . 1 1 32 32 ASP N N 32 124.893 124.893 118.603 6.290 25447 1416 1 4 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.318 0.040 25447 1417 1 4 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.773 0.452 25447 1418 1 4 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.054 0.681 25447 1419 1 4 . 1 1 32 32 ASP H H 32 9.385 9.385 8.741 0.644 25447 1420 1 4 . 1 1 33 33 ASN N N 33 111.484 111.484 116.340 -4.856 25447 1421 1 4 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.583 0.137 25447 1422 1 4 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.669 0.217 25447 1423 1 4 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.024 -0.018 25447 1424 1 4 . 1 1 33 33 ASN H H 33 7.396 7.396 7.681 -0.285 25447 1425 1 4 . 1 1 34 34 GLY N N 34 106.957 106.957 106.064 0.893 25447 1426 1 4 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.733 0.873 25447 1427 1 4 . 1 1 34 34 GLY H H 34 7.618 7.618 7.934 -0.316 25447 1428 1 4 . 1 1 35 35 VAL N N 35 120.424 120.424 118.545 1.879 25447 1429 1 4 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.491 0.275 25447 1430 1 4 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.838 0.287 25447 1431 1 4 . 1 1 35 35 VAL CB C 35 31.879 31.879 32.161 -0.282 25447 1432 1 4 . 1 1 35 35 VAL H H 35 7.792 7.792 7.748 0.044 25447 1433 1 4 . 1 1 36 36 ILE N N 36 116.364 116.364 120.085 -3.721 25447 1434 1 4 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.875 -0.138 25447 1435 1 4 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.766 -1.081 25447 1436 1 4 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.202 1.605 25447 1437 1 4 . 1 1 36 36 ILE H H 36 7.331 7.331 7.929 -0.598 25447 1438 1 4 . 1 1 37 37 ASP N N 37 127.306 127.306 128.192 -0.886 25447 1439 1 4 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.742 -0.078 25447 1440 1 4 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.967 -1.351 25447 1441 1 4 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.494 -1.285 25447 1442 1 4 . 1 1 37 37 ASP H H 37 7.874 7.874 7.813 0.061 25447 1443 1 4 . 1 1 38 38 ALA N N 38 120.352 120.352 122.954 -2.602 25447 1444 1 4 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.113 -0.118 25447 1445 1 4 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.271 1.021 25447 1446 1 4 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.605 -0.293 25447 1447 1 4 . 1 1 38 38 ALA H H 38 8.244 8.244 8.316 -0.072 25447 1448 1 4 . 1 1 39 39 LEU N N 39 117.438 117.438 118.392 -0.954 25447 1449 1 4 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.182 0.068 25447 1450 1 4 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.020 0.335 25447 1451 1 4 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.156 0.080 25447 1452 1 4 . 1 1 39 39 LEU H H 39 7.688 7.688 8.411 -0.723 25447 1453 1 4 . 1 1 40 40 GLY N N 40 112.015 112.015 107.869 4.146 25447 1454 1 4 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.153 0.946 25447 1455 1 4 . 1 1 40 40 GLY H H 40 8.732 8.732 8.289 0.443 25447 1456 1 4 . 1 1 41 41 LEU N N 41 122.983 122.983 123.229 -0.246 25447 1457 1 4 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.972 -0.121 25447 1458 1 4 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.513 0.819 25447 1459 1 4 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.922 -0.283 25447 1460 1 4 . 1 1 41 41 LEU H H 41 8.548 8.548 8.116 0.432 25447 1461 1 4 . 1 1 42 42 LEU N N 42 116.076 116.076 120.055 -3.979 25447 1462 1 4 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.889 0.139 25447 1463 1 4 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.527 -0.463 25447 1464 1 4 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.789 -0.849 25447 1465 1 4 . 1 1 42 42 LEU H H 42 7.168 7.168 7.634 -0.466 25447 1466 1 4 . 1 1 43 43 LYS N N 43 119.831 119.831 119.048 0.783 25447 1467 1 4 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.042 0.242 25447 1468 1 4 . 1 1 43 43 LYS CA C 43 59.644 59.644 60.097 -0.453 25447 1469 1 4 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.358 0.169 25447 1470 1 4 . 1 1 43 43 LYS H H 43 7.640 7.640 8.299 -0.659 25447 1471 1 4 . 1 1 44 44 VAL N N 44 121.046 121.046 120.235 0.811 25447 1472 1 4 . 1 1 44 44 VAL HA H 44 3.949 3.949 3.943 0.006 25447 1473 1 4 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.947 -0.304 25447 1474 1 4 . 1 1 44 44 VAL H H 44 8.269 8.269 7.755 0.514 25447 1475 1 4 . 1 1 45 45 ILE N N 45 119.333 119.333 119.635 -0.302 25447 1476 1 4 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.700 -0.296 25447 1477 1 4 . 1 1 45 45 ILE CA C 45 66.148 66.148 63.995 2.153 25447 1478 1 4 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.469 0.808 25447 1479 1 4 . 1 1 45 45 ILE H H 45 8.145 8.145 7.738 0.407 25447 1480 1 4 . 1 1 46 46 ALA N N 46 121.213 121.213 123.167 -1.954 25447 1481 1 4 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.043 0.214 25447 1482 1 4 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.350 -0.186 25447 1483 1 4 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.537 -0.169 25447 1484 1 4 . 1 1 46 46 ALA H H 46 7.792 7.792 8.261 -0.469 25447 1485 1 4 . 1 1 47 47 TRP N N 47 121.416 121.416 120.304 1.112 25447 1486 1 4 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.437 -0.203 25447 1487 1 4 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.641 2.029 25447 1488 1 4 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.265 -1.026 25447 1489 1 4 . 1 1 47 47 TRP H H 47 8.093 8.093 7.939 0.154 25447 1490 1 4 . 1 1 48 48 LEU N N 48 118.963 118.963 120.792 -1.829 25447 1491 1 4 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.818 0.768 25447 1492 1 4 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.810 0.385 25447 1493 1 4 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.216 1.035 25447 1494 1 4 . 1 1 48 48 LEU H H 48 8.693 8.693 7.165 1.528 25447 1495 1 4 . 1 1 49 49 GLU N N 49 119.131 119.131 116.889 2.242 25447 1496 1 4 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.975 0.075 25447 1497 1 4 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.010 0.852 25447 1498 1 4 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.892 0.694 25447 1499 1 4 . 1 1 49 49 GLU H H 49 7.771 7.771 7.585 0.186 25447 1500 1 4 . 1 1 50 50 ASP N N 50 119.941 119.941 120.490 -0.549 25447 1501 1 4 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.465 -0.228 25447 1502 1 4 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.735 0.620 25447 1503 1 4 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.732 1.651 25447 1504 1 4 . 1 1 50 50 ASP H H 50 7.697 7.697 7.716 -0.019 25447 1505 1 4 . 1 1 51 51 ARG N N 51 116.911 116.911 119.770 -2.859 25447 1506 1 4 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.091 -0.355 25447 1507 1 4 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.923 -2.559 25447 1508 1 4 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.239 -0.924 25447 1509 1 4 . 1 1 51 51 ARG H H 51 8.881 8.881 7.887 0.994 25447 1510 1 4 . 1 1 52 52 PHE N N 52 112.328 112.328 116.611 -4.283 25447 1511 1 4 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.620 0.055 25447 1512 1 4 . 1 1 52 52 PHE CA C 52 57.413 57.413 58.013 -0.600 25447 1513 1 4 . 1 1 52 52 PHE CB C 52 40.892 40.892 38.989 1.903 25447 1514 1 4 . 1 1 52 52 PHE H H 52 7.284 7.284 7.810 -0.526 25447 1515 1 4 . 1 1 53 53 GLY N N 53 109.826 109.826 108.541 1.285 25447 1516 1 4 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.499 1.302 25447 1517 1 4 . 1 1 53 53 GLY H H 53 7.427 7.427 7.695 -0.268 25447 1518 1 4 . 1 1 54 54 ILE N N 54 119.127 119.127 114.474 4.653 25447 1519 1 4 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.525 -0.574 25447 1520 1 4 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.203 1.482 25447 1521 1 4 . 1 1 54 54 ILE CB C 54 39.490 39.490 40.030 -0.540 25447 1522 1 4 . 1 1 54 54 ILE H H 54 6.876 6.876 7.713 -0.837 25447 1523 1 4 . 1 1 55 55 ALA N N 55 129.823 129.823 124.233 5.590 25447 1524 1 4 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.663 -0.249 25447 1525 1 4 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.245 1.365 25447 1526 1 4 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.688 -1.426 25447 1527 1 4 . 1 1 55 55 ALA H H 55 8.499 8.499 8.260 0.239 25447 1528 1 4 . 1 1 56 56 ALA N N 56 126.300 126.300 126.059 0.241 25447 1529 1 4 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.025 0.244 25447 1530 1 4 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.347 -0.874 25447 1531 1 4 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.307 0.937 25447 1532 1 4 . 1 1 56 56 ALA H H 56 8.641 8.641 8.805 -0.164 25447 1533 1 4 . 1 1 57 57 ASP N N 57 116.395 116.395 117.239 -0.844 25447 1534 1 4 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.389 0.090 25447 1535 1 4 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.385 -1.159 25447 1536 1 4 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.453 0.469 25447 1537 1 4 . 1 1 57 57 ASP H H 57 8.337 8.337 8.508 -0.171 25447 1538 1 4 . 1 1 58 58 ASP N N 58 118.557 118.557 119.141 -0.584 25447 1539 1 4 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.424 0.212 25447 1540 1 4 . 1 1 58 58 ASP CA C 58 55.144 55.144 56.068 -0.923 25447 1541 1 4 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.340 0.164 25447 1542 1 4 . 1 1 58 58 ASP H H 58 8.027 8.027 7.884 0.143 25447 1543 1 4 . 1 1 59 59 VAL N N 59 118.898 118.898 118.165 0.733 25447 1544 1 4 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.250 -0.074 25447 1545 1 4 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.124 1.175 25447 1546 1 4 . 1 1 59 59 VAL CB C 59 33.078 33.078 35.084 -2.006 25447 1547 1 4 . 1 1 59 59 VAL H H 59 7.716 7.716 7.422 0.294 25447 1548 1 4 . 1 1 60 60 GLU N N 60 122.888 122.888 125.530 -2.642 25447 1549 1 4 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.517 -0.233 25447 1550 1 4 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.618 0.928 25447 1551 1 4 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.910 -1.129 25447 1552 1 4 . 1 1 60 60 GLU H H 60 8.367 8.367 8.327 0.040 25447 1553 1 4 . 1 1 61 61 LEU N N 61 124.827 124.827 123.510 1.317 25447 1554 1 4 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.422 -0.064 25447 1555 1 4 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.412 0.404 25447 1556 1 4 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.298 -1.361 25447 1557 1 4 . 1 1 61 61 LEU H H 61 8.198 8.198 8.430 -0.232 25447 1558 1 4 . 1 1 62 62 SER N N 62 118.715 118.715 117.681 1.034 25447 1559 1 4 . 1 1 62 62 SER HA H 62 4.809 4.809 4.959 -0.150 25447 1560 1 4 . 1 1 62 62 SER CA C 62 55.732 55.732 55.041 0.691 25447 1561 1 4 . 1 1 62 62 SER CB C 62 64.017 64.017 64.596 -0.579 25447 1562 1 4 . 1 1 62 62 SER H H 62 8.137 8.137 8.340 -0.203 25447 1563 1 4 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.259 -0.006 25447 1564 1 4 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.221 -0.325 25447 1565 1 4 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.787 0.265 25447 1566 1 4 . 1 1 64 64 GLU N N 64 116.554 116.554 118.259 -1.705 25447 1567 1 4 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.181 -0.308 25447 1568 1 4 . 1 1 64 64 GLU CA C 64 58.719 58.719 59.051 -0.332 25447 1569 1 4 . 1 1 64 64 GLU CB C 64 28.681 28.681 28.995 -0.314 25447 1570 1 4 . 1 1 64 64 GLU H H 64 8.316 8.316 9.030 -0.714 25447 1571 1 4 . 1 1 65 65 HIS N N 65 115.487 115.487 119.596 -4.109 25447 1572 1 4 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.250 0.030 25447 1573 1 4 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.201 -0.549 25447 1574 1 4 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.605 0.277 25447 1575 1 4 . 1 1 65 65 HIS H H 65 7.274 7.274 8.247 -0.973 25447 1576 1 4 . 1 1 66 66 PHE N N 66 116.127 116.127 116.709 -0.582 25447 1577 1 4 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.423 0.343 25447 1578 1 4 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.577 -1.795 25447 1579 1 4 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.340 1.569 25447 1580 1 4 . 1 1 66 66 PHE H H 66 7.239 7.239 7.681 -0.442 25447 1581 1 4 . 1 1 67 67 ARG N N 67 112.468 112.468 119.226 -6.758 25447 1582 1 4 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.970 0.115 25447 1583 1 4 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.108 -0.821 25447 1584 1 4 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.318 1.442 25447 1585 1 4 . 1 1 67 67 ARG H H 67 6.628 6.628 7.779 -1.151 25447 1586 1 4 . 1 1 68 68 SER N N 68 109.305 109.305 110.233 -0.928 25447 1587 1 4 . 1 1 68 68 SER HA H 68 4.980 4.980 4.845 0.135 25447 1588 1 4 . 1 1 68 68 SER CA C 68 55.785 55.785 56.644 -0.859 25447 1589 1 4 . 1 1 68 68 SER CB C 68 67.691 67.691 66.390 1.301 25447 1590 1 4 . 1 1 68 68 SER H H 68 8.145 8.145 7.285 0.860 25447 1591 1 4 . 1 1 69 69 ILE N N 69 122.602 122.602 122.408 0.194 25447 1592 1 4 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.722 -0.046 25447 1593 1 4 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.377 1.377 25447 1594 1 4 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.542 -0.246 25447 1595 1 4 . 1 1 69 69 ILE H H 69 9.775 9.775 9.105 0.670 25447 1596 1 4 . 1 1 70 70 ARG N N 70 118.764 118.764 118.802 -0.038 25447 1597 1 4 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.927 0.028 25447 1598 1 4 . 1 1 70 70 ARG CA C 70 60.533 60.533 60.063 0.470 25447 1599 1 4 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.656 0.762 25447 1600 1 4 . 1 1 70 70 ARG H H 70 8.910 8.910 8.410 0.500 25447 1601 1 4 . 1 1 71 71 SER N N 71 117.670 117.670 114.912 2.758 25447 1602 1 4 . 1 1 71 71 SER HA H 71 4.330 4.330 4.288 0.042 25447 1603 1 4 . 1 1 71 71 SER CA C 71 62.287 62.287 61.324 0.963 25447 1604 1 4 . 1 1 71 71 SER CB C 71 63.278 63.278 62.673 0.605 25447 1605 1 4 . 1 1 71 71 SER H H 71 8.518 8.518 7.544 0.974 25447 1606 1 4 . 1 1 72 72 ILE N N 72 127.447 127.447 123.437 4.010 25447 1607 1 4 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.739 0.171 25447 1608 1 4 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.309 1.502 25447 1609 1 4 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.489 0.909 25447 1610 1 4 . 1 1 72 72 ILE H H 72 8.762 8.762 7.517 1.245 25447 1611 1 4 . 1 1 73 73 ASP N N 73 121.636 121.636 120.292 1.344 25447 1612 1 4 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.335 -0.322 25447 1613 1 4 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.315 1.833 25447 1614 1 4 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.665 2.875 25447 1615 1 4 . 1 1 73 73 ASP H H 73 8.677 8.677 8.159 0.518 25447 1616 1 4 . 1 1 74 74 ALA N N 74 118.793 118.793 122.128 -3.335 25447 1617 1 4 . 1 1 74 74 ALA HA H 74 4.044 4.044 3.977 0.067 25447 1618 1 4 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.318 0.003 25447 1619 1 4 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.564 -0.620 25447 1620 1 4 . 1 1 74 74 ALA H H 74 8.005 8.005 7.757 0.248 25447 1621 1 4 . 1 1 75 75 PHE N N 75 121.235 121.235 119.914 1.321 25447 1622 1 4 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.018 0.020 25447 1623 1 4 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.917 -0.902 25447 1624 1 4 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.334 -0.496 25447 1625 1 4 . 1 1 75 75 PHE H H 75 8.353 8.353 8.563 -0.210 25447 1626 1 4 . 1 1 76 76 VAL N N 76 120.866 120.866 119.033 1.833 25447 1627 1 4 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.330 -0.387 25447 1628 1 4 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.037 0.864 25447 1629 1 4 . 1 1 76 76 VAL CB C 76 31.247 31.247 30.945 0.302 25447 1630 1 4 . 1 1 76 76 VAL H H 76 8.544 8.544 8.211 0.333 25447 1631 1 4 . 1 1 77 77 VAL N N 77 121.408 121.408 119.644 1.764 25447 1632 1 4 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.691 -0.196 25447 1633 1 4 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.715 0.118 25447 1634 1 4 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.187 0.743 25447 1635 1 4 . 1 1 77 77 VAL H H 77 8.708 8.708 8.346 0.362 25447 1636 1 4 . 1 1 78 78 GLY N N 78 106.402 106.402 107.009 -0.607 25447 1637 1 4 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.058 -0.218 25447 1638 1 4 . 1 1 78 78 GLY H H 78 7.945 7.945 8.618 -0.673 25447 1639 1 4 . 1 1 79 79 ALA N N 79 121.146 121.146 122.728 -1.582 25447 1640 1 4 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.898 0.309 25447 1641 1 4 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.233 -1.304 25447 1642 1 4 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.083 1.178 25447 1643 1 4 . 1 1 79 79 ALA H H 79 7.639 7.639 7.520 0.119 25447 1644 1 4 . 1 1 80 80 THR N N 80 107.668 107.668 109.491 -1.823 25447 1645 1 4 . 1 1 80 80 THR HA H 80 4.443 4.443 4.188 0.255 25447 1646 1 4 . 1 1 80 80 THR CA C 80 61.406 61.406 63.177 -1.771 25447 1647 1 4 . 1 1 80 80 THR CB C 80 70.767 70.767 69.677 1.090 25447 1648 1 4 . 1 1 80 80 THR H H 80 7.449 7.449 7.621 -0.172 25447 1649 1 4 . 1 1 81 81 THR N N 81 119.953 119.953 116.187 3.766 25447 1650 1 4 . 1 1 81 81 THR HA H 81 4.665 4.665 4.835 -0.170 25447 1651 1 4 . 1 1 81 81 THR CA C 81 60.412 60.412 58.644 1.768 25447 1652 1 4 . 1 1 81 81 THR CB C 81 70.113 70.113 70.010 0.103 25447 1653 1 4 . 1 1 81 81 THR H H 81 7.685 7.685 7.942 -0.257 25447 1654 1 4 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.599 0.090 25447 1655 1 4 . 1 1 82 82 PRO CA C 82 61.688 61.688 61.958 -0.270 25447 1656 1 4 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.681 0.288 25447 1657 1 4 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.520 -0.039 25447 1658 1 4 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.419 0.512 25447 1659 1 4 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.756 -0.563 25447 1660 1 4 . 1 1 84 84 VAL N N 84 120.691 120.691 117.041 3.650 25447 1661 1 4 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.366 -0.273 25447 1662 1 4 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.207 1.132 25447 1663 1 4 . 1 1 84 84 VAL CB C 84 32.851 32.851 33.458 -0.607 25447 1664 1 4 . 1 1 84 84 VAL H H 84 8.257 8.257 8.086 0.171 25447 1665 1 4 . 1 1 85 85 GLU N N 85 127.655 127.655 120.405 7.250 25447 1666 1 4 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.851 0.433 25447 1667 1 4 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.453 0.301 25447 1668 1 4 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.102 2.458 25447 1669 1 4 . 1 1 85 85 GLU H H 85 8.202 8.202 8.676 -0.474 25447 1670 1 4 . 1 1 86 86 ALA N N 86 126.437 126.437 121.242 5.195 25447 1671 1 4 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.108 -0.057 25447 1672 1 4 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.859 -0.711 25447 1673 1 4 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.463 -0.003 25447 1674 1 4 . 1 1 86 86 ALA H H 86 8.323 8.323 8.110 0.213 25447 1675 1 4 . 1 1 87 87 LYS N N 87 121.796 121.796 121.384 0.412 25447 1676 1 4 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.042 0.305 25447 1677 1 4 . 1 1 87 87 LYS CA C 87 56.297 56.297 58.004 -1.707 25447 1678 1 4 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.657 0.619 25447 1679 1 4 . 1 1 87 87 LYS H H 87 8.333 8.333 8.481 -0.148 25447 1680 1 4 . 1 1 88 88 LEU N N 88 125.576 125.576 120.371 5.205 25447 1681 1 4 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.403 -0.496 25447 1682 1 4 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.609 1.163 25447 1683 1 4 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.396 0.076 25447 1684 1 4 . 1 1 88 88 LEU H H 88 8.444 8.444 7.555 0.889 25447 1685 1 5 . 1 1 1 1 MET N N 1 120.668 120.668 121.452 -0.784 25447 1686 1 5 . 1 1 1 1 MET HA H 1 4.484 4.484 4.146 0.338 25447 1687 1 5 . 1 1 1 1 MET CA C 1 55.257 55.257 55.743 -0.486 25447 1688 1 5 . 1 1 1 1 MET CB C 1 34.517 34.517 32.000 2.517 25447 1689 1 5 . 1 1 1 1 MET H H 1 8.313 8.313 8.801 -0.488 25447 1690 1 5 . 1 1 2 2 GLN N N 2 123.739 123.739 121.892 1.847 25447 1691 1 5 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.892 0.138 25447 1692 1 5 . 1 1 2 2 GLN CA C 2 57.874 57.874 57.631 0.243 25447 1693 1 5 . 1 1 2 2 GLN CB C 2 29.938 29.938 28.979 0.959 25447 1694 1 5 . 1 1 2 2 GLN H H 2 9.455 9.455 8.637 0.818 25447 1695 1 5 . 1 1 3 3 HIS N N 3 119.115 119.115 113.281 5.834 25447 1696 1 5 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.864 0.252 25447 1697 1 5 . 1 1 3 3 HIS CA C 3 55.494 55.494 55.526 -0.032 25447 1698 1 5 . 1 1 3 3 HIS CB C 3 31.015 31.015 29.223 1.792 25447 1699 1 5 . 1 1 3 3 HIS H H 3 9.783 9.783 7.922 1.861 25447 1700 1 5 . 1 1 4 4 ALA N N 4 122.648 122.648 124.383 -1.735 25447 1701 1 5 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.213 -0.310 25447 1702 1 5 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.273 1.206 25447 1703 1 5 . 1 1 4 4 ALA CB C 4 19.194 19.194 19.150 0.044 25447 1704 1 5 . 1 1 4 4 ALA H H 4 7.551 7.551 8.105 -0.554 25447 1705 1 5 . 1 1 5 5 SER N N 5 112.599 112.599 114.387 -1.788 25447 1706 1 5 . 1 1 5 5 SER HA H 5 4.298 4.298 4.203 0.095 25447 1707 1 5 . 1 1 5 5 SER CA C 5 62.117 62.117 61.729 0.388 25447 1708 1 5 . 1 1 5 5 SER CB C 5 62.334 62.334 62.288 0.045 25447 1709 1 5 . 1 1 5 5 SER H H 5 8.736 8.736 8.415 0.321 25447 1710 1 5 . 1 1 6 6 VAL N N 6 122.866 122.866 122.394 0.472 25447 1711 1 5 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.788 0.317 25447 1712 1 5 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.275 -0.543 25447 1713 1 5 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.729 1.008 25447 1714 1 5 . 1 1 6 6 VAL H H 6 7.660 7.660 7.360 0.300 25447 1715 1 5 . 1 1 7 7 ILE N N 7 121.715 121.715 120.467 1.248 25447 1716 1 5 . 1 1 7 7 ILE HA H 7 4.224 4.224 3.785 0.439 25447 1717 1 5 . 1 1 7 7 ILE CA C 7 65.329 65.329 66.056 -0.727 25447 1718 1 5 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.582 1.111 25447 1719 1 5 . 1 1 7 7 ILE H H 7 8.519 8.519 7.629 0.890 25447 1720 1 5 . 1 1 8 8 ALA N N 8 121.373 121.373 121.469 -0.096 25447 1721 1 5 . 1 1 8 8 ALA HA H 8 3.895 3.895 3.964 -0.069 25447 1722 1 5 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.553 0.703 25447 1723 1 5 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.159 0.481 25447 1724 1 5 . 1 1 8 8 ALA H H 8 8.940 8.940 8.389 0.551 25447 1725 1 5 . 1 1 9 9 GLN N N 9 115.076 115.076 119.636 -4.560 25447 1726 1 5 . 1 1 9 9 GLN HA H 9 3.870 3.870 4.091 -0.221 25447 1727 1 5 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.868 0.324 25447 1728 1 5 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.990 -0.852 25447 1729 1 5 . 1 1 9 9 GLN H H 9 7.729 7.729 8.247 -0.518 25447 1730 1 5 . 1 1 10 10 PHE N N 10 120.207 120.207 120.027 0.180 25447 1731 1 5 . 1 1 10 10 PHE HA H 10 4.085 4.085 4.341 -0.256 25447 1732 1 5 . 1 1 10 10 PHE CA C 10 60.893 60.893 60.143 0.750 25447 1733 1 5 . 1 1 10 10 PHE CB C 10 38.932 38.932 39.026 -0.094 25447 1734 1 5 . 1 1 10 10 PHE H H 10 7.301 7.301 8.670 -1.369 25447 1735 1 5 . 1 1 11 11 VAL N N 11 117.569 117.569 120.681 -3.112 25447 1736 1 5 . 1 1 11 11 VAL HA H 11 3.307 3.307 2.461 0.846 25447 1737 1 5 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.470 1.038 25447 1738 1 5 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.617 -0.130 25447 1739 1 5 . 1 1 11 11 VAL H H 11 8.370 8.370 8.196 0.174 25447 1740 1 5 . 1 1 12 12 VAL N N 12 117.909 117.909 119.401 -1.492 25447 1741 1 5 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.544 0.197 25447 1742 1 5 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.248 -0.372 25447 1743 1 5 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.644 -0.332 25447 1744 1 5 . 1 1 12 12 VAL H H 12 8.294 8.294 7.577 0.717 25447 1745 1 5 . 1 1 13 13 GLU N N 13 117.918 117.918 119.768 -1.850 25447 1746 1 5 . 1 1 13 13 GLU HA H 13 3.742 3.742 4.088 -0.346 25447 1747 1 5 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.966 0.341 25447 1748 1 5 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.456 0.033 25447 1749 1 5 . 1 1 13 13 GLU H H 13 7.750 7.750 7.697 0.053 25447 1750 1 5 . 1 1 14 14 GLU N N 14 113.478 113.478 118.367 -4.889 25447 1751 1 5 . 1 1 14 14 GLU HA H 14 3.778 3.778 3.868 -0.090 25447 1752 1 5 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.657 -1.857 25447 1753 1 5 . 1 1 14 14 GLU CB C 14 29.643 29.643 29.509 0.134 25447 1754 1 5 . 1 1 14 14 GLU H H 14 7.603 7.603 7.503 0.100 25447 1755 1 5 . 1 1 15 15 PHE N N 15 114.193 114.193 115.777 -1.584 25447 1756 1 5 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.405 0.534 25447 1757 1 5 . 1 1 15 15 PHE CA C 15 58.095 58.095 60.361 -2.266 25447 1758 1 5 . 1 1 15 15 PHE CB C 15 42.095 42.095 40.352 1.743 25447 1759 1 5 . 1 1 15 15 PHE H H 15 7.908 7.908 7.515 0.393 25447 1760 1 5 . 1 1 16 16 LEU N N 16 121.492 121.492 120.295 1.197 25447 1761 1 5 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.823 0.144 25447 1762 1 5 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.229 0.148 25447 1763 1 5 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.324 1.409 25447 1764 1 5 . 1 1 16 16 LEU H H 16 8.015 8.015 8.476 -0.461 25447 1765 1 5 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.397 -0.014 25447 1766 1 5 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.190 0.668 25447 1767 1 5 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.798 0.031 25447 1768 1 5 . 1 1 18 18 ASP N N 18 116.508 116.508 118.417 -1.909 25447 1769 1 5 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.746 -0.178 25447 1770 1 5 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.928 0.760 25447 1771 1 5 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.643 -0.017 25447 1772 1 5 . 1 1 18 18 ASP H H 18 8.399 8.399 8.637 -0.238 25447 1773 1 5 . 1 1 19 19 VAL N N 19 122.135 122.135 120.698 1.437 25447 1774 1 5 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.141 -0.023 25447 1775 1 5 . 1 1 19 19 VAL CA C 19 61.293 61.293 61.251 0.042 25447 1776 1 5 . 1 1 19 19 VAL CB C 19 33.582 33.582 34.180 -0.598 25447 1777 1 5 . 1 1 19 19 VAL H H 19 7.760 7.760 7.346 0.414 25447 1778 1 5 . 1 1 20 20 ALA N N 20 129.301 129.301 130.351 -1.050 25447 1779 1 5 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.556 0.043 25447 1780 1 5 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.161 0.109 25447 1781 1 5 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.199 -0.771 25447 1782 1 5 . 1 1 20 20 ALA H H 20 8.761 8.761 8.390 0.371 25447 1783 1 5 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.130 -0.053 25447 1784 1 5 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.605 0.598 25447 1785 1 5 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.809 -0.401 25447 1786 1 5 . 1 1 22 22 ALA N N 22 116.106 116.106 116.944 -0.838 25447 1787 1 5 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.163 -0.046 25447 1788 1 5 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.061 -0.065 25447 1789 1 5 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.317 0.527 25447 1790 1 5 . 1 1 22 22 ALA H H 22 8.064 8.064 8.002 0.062 25447 1791 1 5 . 1 1 23 23 ASP N N 23 115.541 115.541 117.872 -2.331 25447 1792 1 5 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.689 -0.012 25447 1793 1 5 . 1 1 23 23 ASP CA C 23 54.336 54.336 54.375 -0.039 25447 1794 1 5 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.784 0.569 25447 1795 1 5 . 1 1 23 23 ASP H H 23 8.003 8.003 8.143 -0.140 25447 1796 1 5 . 1 1 24 24 VAL N N 24 121.517 121.517 121.029 0.488 25447 1797 1 5 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.108 -0.287 25447 1798 1 5 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.539 0.806 25447 1799 1 5 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.124 -1.391 25447 1800 1 5 . 1 1 24 24 VAL H H 24 7.069 7.069 7.411 -0.342 25447 1801 1 5 . 1 1 25 25 ASP N N 25 129.329 129.329 127.925 1.404 25447 1802 1 5 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.834 -0.260 25447 1803 1 5 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.215 1.351 25447 1804 1 5 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.668 0.665 25447 1805 1 5 . 1 1 25 25 ASP H H 25 8.474 8.474 8.725 -0.251 25447 1806 1 5 . 1 1 26 26 VAL N N 26 121.920 121.920 121.270 0.650 25447 1807 1 5 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.024 0.084 25447 1808 1 5 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.139 1.379 25447 1809 1 5 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.918 -0.720 25447 1810 1 5 . 1 1 26 26 VAL H H 26 8.591 8.591 8.584 0.007 25447 1811 1 5 . 1 1 27 27 ASP N N 27 116.286 116.286 118.561 -2.275 25447 1812 1 5 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.608 0.537 25447 1813 1 5 . 1 1 27 27 ASP CA C 27 54.181 54.181 55.430 -1.249 25447 1814 1 5 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.597 1.978 25447 1815 1 5 . 1 1 27 27 ASP H H 27 8.609 8.609 8.135 0.474 25447 1816 1 5 . 1 1 28 28 LEU N N 28 125.116 125.116 121.970 3.146 25447 1817 1 5 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.449 -0.438 25447 1818 1 5 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.555 1.532 25447 1819 1 5 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.737 -0.416 25447 1820 1 5 . 1 1 28 28 LEU H H 28 7.374 7.374 7.266 0.108 25447 1821 1 5 . 1 1 29 29 ASP N N 29 125.924 125.924 124.859 1.065 25447 1822 1 5 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.629 0.205 25447 1823 1 5 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.037 -1.117 25447 1824 1 5 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.404 -0.025 25447 1825 1 5 . 1 1 29 29 ASP H H 29 8.699 8.699 8.601 0.098 25447 1826 1 5 . 1 1 30 30 LEU N N 30 129.975 129.975 124.638 5.337 25447 1827 1 5 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.091 -0.174 25447 1828 1 5 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.420 -1.032 25447 1829 1 5 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.413 -0.175 25447 1830 1 5 . 1 1 30 30 LEU H H 30 9.718 9.718 8.318 1.400 25447 1831 1 5 . 1 1 31 31 VAL N N 31 121.212 121.212 117.839 3.373 25447 1832 1 5 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.563 0.630 25447 1833 1 5 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.458 -2.025 25447 1834 1 5 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.710 0.465 25447 1835 1 5 . 1 1 31 31 VAL H H 31 8.163 8.163 7.666 0.497 25447 1836 1 5 . 1 1 32 32 ASP N N 32 124.893 124.893 118.620 6.273 25447 1837 1 5 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.314 0.044 25447 1838 1 5 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.774 0.451 25447 1839 1 5 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.047 0.688 25447 1840 1 5 . 1 1 32 32 ASP H H 32 9.385 9.385 8.728 0.657 25447 1841 1 5 . 1 1 33 33 ASN N N 33 111.484 111.484 116.318 -4.834 25447 1842 1 5 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.580 0.140 25447 1843 1 5 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.669 0.217 25447 1844 1 5 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.017 -0.011 25447 1845 1 5 . 1 1 33 33 ASN H H 33 7.396 7.396 7.692 -0.296 25447 1846 1 5 . 1 1 34 34 GLY N N 34 106.957 106.957 106.021 0.936 25447 1847 1 5 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.718 0.889 25447 1848 1 5 . 1 1 34 34 GLY H H 34 7.618 7.618 7.933 -0.315 25447 1849 1 5 . 1 1 35 35 VAL N N 35 120.424 120.424 118.453 1.971 25447 1850 1 5 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.619 0.147 25447 1851 1 5 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.829 0.296 25447 1852 1 5 . 1 1 35 35 VAL CB C 35 31.879 31.879 32.048 -0.169 25447 1853 1 5 . 1 1 35 35 VAL H H 35 7.792 7.792 7.754 0.038 25447 1854 1 5 . 1 1 36 36 ILE N N 36 116.364 116.364 120.304 -3.940 25447 1855 1 5 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.699 0.038 25447 1856 1 5 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.565 -0.880 25447 1857 1 5 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.284 1.523 25447 1858 1 5 . 1 1 36 36 ILE H H 36 7.331 7.331 7.717 -0.386 25447 1859 1 5 . 1 1 37 37 ASP N N 37 127.306 127.306 127.944 -0.638 25447 1860 1 5 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.750 -0.086 25447 1861 1 5 . 1 1 37 37 ASP CA C 37 51.616 51.616 53.115 -1.499 25447 1862 1 5 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.437 -1.228 25447 1863 1 5 . 1 1 37 37 ASP H H 37 7.874 7.874 7.839 0.035 25447 1864 1 5 . 1 1 38 38 ALA N N 38 120.352 120.352 123.302 -2.950 25447 1865 1 5 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.125 -0.130 25447 1866 1 5 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.257 1.035 25447 1867 1 5 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.601 -0.289 25447 1868 1 5 . 1 1 38 38 ALA H H 38 8.244 8.244 8.336 -0.092 25447 1869 1 5 . 1 1 39 39 LEU N N 39 117.438 117.438 118.905 -1.467 25447 1870 1 5 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.254 -0.004 25447 1871 1 5 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.579 -0.224 25447 1872 1 5 . 1 1 39 39 LEU CB C 39 41.236 41.236 40.692 0.544 25447 1873 1 5 . 1 1 39 39 LEU H H 39 7.688 7.688 8.519 -0.831 25447 1874 1 5 . 1 1 40 40 GLY N N 40 112.015 112.015 107.901 4.114 25447 1875 1 5 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.290 0.809 25447 1876 1 5 . 1 1 40 40 GLY H H 40 8.732 8.732 8.362 0.370 25447 1877 1 5 . 1 1 41 41 LEU N N 41 122.983 122.983 123.207 -0.224 25447 1878 1 5 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.989 -0.138 25447 1879 1 5 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.541 0.791 25447 1880 1 5 . 1 1 41 41 LEU CB C 41 41.639 41.639 42.008 -0.369 25447 1881 1 5 . 1 1 41 41 LEU H H 41 8.548 8.548 8.271 0.277 25447 1882 1 5 . 1 1 42 42 LEU N N 42 116.076 116.076 120.144 -4.068 25447 1883 1 5 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.905 0.123 25447 1884 1 5 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.540 -0.476 25447 1885 1 5 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.814 -0.874 25447 1886 1 5 . 1 1 42 42 LEU H H 42 7.168 7.168 7.697 -0.529 25447 1887 1 5 . 1 1 43 43 LYS N N 43 119.831 119.831 119.102 0.729 25447 1888 1 5 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.055 0.229 25447 1889 1 5 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.995 -0.351 25447 1890 1 5 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.298 0.229 25447 1891 1 5 . 1 1 43 43 LYS H H 43 7.640 7.640 8.353 -0.713 25447 1892 1 5 . 1 1 44 44 VAL N N 44 121.046 121.046 120.237 0.809 25447 1893 1 5 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.186 -0.237 25447 1894 1 5 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.727 -0.084 25447 1895 1 5 . 1 1 44 44 VAL H H 44 8.269 8.269 7.906 0.363 25447 1896 1 5 . 1 1 45 45 ILE N N 45 119.333 119.333 120.062 -0.729 25447 1897 1 5 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.683 -0.279 25447 1898 1 5 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.128 2.020 25447 1899 1 5 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.081 1.196 25447 1900 1 5 . 1 1 45 45 ILE H H 45 8.145 8.145 7.867 0.278 25447 1901 1 5 . 1 1 46 46 ALA N N 46 121.213 121.213 123.753 -2.540 25447 1902 1 5 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.483 -0.226 25447 1903 1 5 . 1 1 46 46 ALA CA C 46 55.164 55.164 54.888 0.276 25447 1904 1 5 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.610 -0.242 25447 1905 1 5 . 1 1 46 46 ALA H H 46 7.792 7.792 8.059 -0.267 25447 1906 1 5 . 1 1 47 47 TRP N N 47 121.416 121.416 120.304 1.112 25447 1907 1 5 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.538 -0.304 25447 1908 1 5 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.609 2.061 25447 1909 1 5 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.621 -1.382 25447 1910 1 5 . 1 1 47 47 TRP H H 47 8.093 8.093 8.178 -0.085 25447 1911 1 5 . 1 1 48 48 LEU N N 48 118.963 118.963 121.156 -2.193 25447 1912 1 5 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.987 0.599 25447 1913 1 5 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.819 0.376 25447 1914 1 5 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.510 0.741 25447 1915 1 5 . 1 1 48 48 LEU H H 48 8.693 8.693 7.752 0.941 25447 1916 1 5 . 1 1 49 49 GLU N N 49 119.131 119.131 117.579 1.552 25447 1917 1 5 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.950 0.100 25447 1918 1 5 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.010 0.852 25447 1919 1 5 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.897 0.689 25447 1920 1 5 . 1 1 49 49 GLU H H 49 7.771 7.771 7.818 -0.047 25447 1921 1 5 . 1 1 50 50 ASP N N 50 119.941 119.941 121.193 -1.252 25447 1922 1 5 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.424 -0.187 25447 1923 1 5 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.320 1.035 25447 1924 1 5 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.700 1.683 25447 1925 1 5 . 1 1 50 50 ASP H H 50 7.697 7.697 7.742 -0.045 25447 1926 1 5 . 1 1 51 51 ARG N N 51 116.911 116.911 117.793 -0.882 25447 1927 1 5 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.054 -0.318 25447 1928 1 5 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.432 -2.068 25447 1929 1 5 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.573 -1.258 25447 1930 1 5 . 1 1 51 51 ARG H H 51 8.881 8.881 7.841 1.040 25447 1931 1 5 . 1 1 52 52 PHE N N 52 112.328 112.328 115.392 -3.064 25447 1932 1 5 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.651 0.024 25447 1933 1 5 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.618 -0.205 25447 1934 1 5 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.728 1.164 25447 1935 1 5 . 1 1 52 52 PHE H H 52 7.284 7.284 7.669 -0.385 25447 1936 1 5 . 1 1 53 53 GLY N N 53 109.826 109.826 109.862 -0.036 25447 1937 1 5 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.552 1.249 25447 1938 1 5 . 1 1 53 53 GLY H H 53 7.427 7.427 8.477 -1.050 25447 1939 1 5 . 1 1 54 54 ILE N N 54 119.127 119.127 116.705 2.422 25447 1940 1 5 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.428 -0.477 25447 1941 1 5 . 1 1 54 54 ILE CA C 54 60.685 60.685 60.161 0.524 25447 1942 1 5 . 1 1 54 54 ILE CB C 54 39.490 39.490 38.697 0.793 25447 1943 1 5 . 1 1 54 54 ILE H H 54 6.876 6.876 7.428 -0.552 25447 1944 1 5 . 1 1 55 55 ALA N N 55 129.823 129.823 128.518 1.305 25447 1945 1 5 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.304 0.110 25447 1946 1 5 . 1 1 55 55 ALA CA C 55 51.610 51.610 51.878 -0.268 25447 1947 1 5 . 1 1 55 55 ALA CB C 55 19.262 19.262 19.768 -0.506 25447 1948 1 5 . 1 1 55 55 ALA H H 55 8.499 8.499 8.375 0.124 25447 1949 1 5 . 1 1 56 56 ALA N N 56 126.300 126.300 125.398 0.902 25447 1950 1 5 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.011 0.258 25447 1951 1 5 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.721 -1.247 25447 1952 1 5 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.740 0.504 25447 1953 1 5 . 1 1 56 56 ALA H H 56 8.641 8.641 8.870 -0.229 25447 1954 1 5 . 1 1 57 57 ASP N N 57 116.395 116.395 117.550 -1.155 25447 1955 1 5 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.332 0.147 25447 1956 1 5 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.154 -0.928 25447 1957 1 5 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.627 0.295 25447 1958 1 5 . 1 1 57 57 ASP H H 57 8.337 8.337 8.145 0.192 25447 1959 1 5 . 1 1 58 58 ASP N N 58 118.557 118.557 118.502 0.055 25447 1960 1 5 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.462 0.174 25447 1961 1 5 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.780 -0.636 25447 1962 1 5 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.511 -0.007 25447 1963 1 5 . 1 1 58 58 ASP H H 58 8.027 8.027 7.884 0.143 25447 1964 1 5 . 1 1 59 59 VAL N N 59 118.898 118.898 118.939 -0.041 25447 1965 1 5 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.235 -0.059 25447 1966 1 5 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.303 0.996 25447 1967 1 5 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.209 -1.131 25447 1968 1 5 . 1 1 59 59 VAL H H 59 7.716 7.716 7.488 0.228 25447 1969 1 5 . 1 1 60 60 GLU N N 60 122.888 122.888 126.245 -3.357 25447 1970 1 5 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.409 -0.125 25447 1971 1 5 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.804 0.742 25447 1972 1 5 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.668 -0.886 25447 1973 1 5 . 1 1 60 60 GLU H H 60 8.367 8.367 8.390 -0.023 25447 1974 1 5 . 1 1 61 61 LEU N N 61 124.827 124.827 125.653 -0.826 25447 1975 1 5 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.461 -0.103 25447 1976 1 5 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.258 0.558 25447 1977 1 5 . 1 1 61 61 LEU CB C 61 41.937 41.937 42.586 -0.649 25447 1978 1 5 . 1 1 61 61 LEU H H 61 8.198 8.198 8.412 -0.214 25447 1979 1 5 . 1 1 62 62 SER N N 62 118.715 118.715 119.255 -0.540 25447 1980 1 5 . 1 1 62 62 SER HA H 62 4.809 4.809 4.957 -0.148 25447 1981 1 5 . 1 1 62 62 SER CA C 62 55.732 55.732 55.682 0.050 25447 1982 1 5 . 1 1 62 62 SER CB C 62 64.017 64.017 64.923 -0.906 25447 1983 1 5 . 1 1 62 62 SER H H 62 8.137 8.137 8.209 -0.072 25447 1984 1 5 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.293 -0.040 25447 1985 1 5 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.142 -0.246 25447 1986 1 5 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.834 0.218 25447 1987 1 5 . 1 1 64 64 GLU N N 64 116.554 116.554 119.086 -2.532 25447 1988 1 5 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.148 -0.275 25447 1989 1 5 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.868 -0.149 25447 1990 1 5 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.264 -0.583 25447 1991 1 5 . 1 1 64 64 GLU H H 64 8.316 8.316 8.490 -0.174 25447 1992 1 5 . 1 1 65 65 HIS N N 65 115.487 115.487 120.275 -4.788 25447 1993 1 5 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.197 0.083 25447 1994 1 5 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.596 -0.944 25447 1995 1 5 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.407 0.475 25447 1996 1 5 . 1 1 65 65 HIS H H 65 7.274 7.274 8.495 -1.221 25447 1997 1 5 . 1 1 66 66 PHE N N 66 116.127 116.127 117.075 -0.948 25447 1998 1 5 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.778 -0.012 25447 1999 1 5 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.550 -1.768 25447 2000 1 5 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.718 1.190 25447 2001 1 5 . 1 1 66 66 PHE H H 66 7.239 7.239 7.873 -0.634 25447 2002 1 5 . 1 1 67 67 ARG N N 67 112.468 112.468 120.064 -7.596 25447 2003 1 5 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.000 0.085 25447 2004 1 5 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.077 -0.790 25447 2005 1 5 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.433 1.327 25447 2006 1 5 . 1 1 67 67 ARG H H 67 6.628 6.628 7.952 -1.324 25447 2007 1 5 . 1 1 68 68 SER N N 68 109.305 109.305 111.609 -2.304 25447 2008 1 5 . 1 1 68 68 SER HA H 68 4.980 4.980 4.847 0.133 25447 2009 1 5 . 1 1 68 68 SER CA C 68 55.785 55.785 56.972 -1.187 25447 2010 1 5 . 1 1 68 68 SER CB C 68 67.691 67.691 66.418 1.273 25447 2011 1 5 . 1 1 68 68 SER H H 68 8.145 8.145 7.568 0.577 25447 2012 1 5 . 1 1 69 69 ILE N N 69 122.602 122.602 122.429 0.173 25447 2013 1 5 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.830 -0.154 25447 2014 1 5 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.179 1.575 25447 2015 1 5 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.600 -0.304 25447 2016 1 5 . 1 1 69 69 ILE H H 69 9.775 9.775 9.128 0.647 25447 2017 1 5 . 1 1 70 70 ARG N N 70 118.764 118.764 118.790 -0.026 25447 2018 1 5 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.945 0.010 25447 2019 1 5 . 1 1 70 70 ARG CA C 70 60.533 60.533 60.041 0.492 25447 2020 1 5 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.805 0.613 25447 2021 1 5 . 1 1 70 70 ARG H H 70 8.910 8.910 8.565 0.345 25447 2022 1 5 . 1 1 71 71 SER N N 71 117.670 117.670 115.514 2.156 25447 2023 1 5 . 1 1 71 71 SER HA H 71 4.330 4.330 4.210 0.120 25447 2024 1 5 . 1 1 71 71 SER CA C 71 62.287 62.287 61.665 0.622 25447 2025 1 5 . 1 1 71 71 SER CB C 71 63.278 63.278 62.802 0.476 25447 2026 1 5 . 1 1 71 71 SER H H 71 8.518 8.518 7.669 0.849 25447 2027 1 5 . 1 1 72 72 ILE N N 72 127.447 127.447 123.997 3.450 25447 2028 1 5 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.282 0.628 25447 2029 1 5 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.649 1.162 25447 2030 1 5 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.660 0.738 25447 2031 1 5 . 1 1 72 72 ILE H H 72 8.762 8.762 7.570 1.192 25447 2032 1 5 . 1 1 73 73 ASP N N 73 121.636 121.636 119.825 1.811 25447 2033 1 5 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.465 -0.452 25447 2034 1 5 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.518 1.630 25447 2035 1 5 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.081 3.458 25447 2036 1 5 . 1 1 73 73 ASP H H 73 8.677 8.677 8.282 0.395 25447 2037 1 5 . 1 1 74 74 ALA N N 74 118.793 118.793 122.366 -3.573 25447 2038 1 5 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.126 -0.082 25447 2039 1 5 . 1 1 74 74 ALA CA C 74 55.321 55.321 54.827 0.494 25447 2040 1 5 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.384 -0.438 25447 2041 1 5 . 1 1 74 74 ALA H H 74 8.005 8.005 7.971 0.034 25447 2042 1 5 . 1 1 75 75 PHE N N 75 121.235 121.235 119.958 1.277 25447 2043 1 5 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.032 0.006 25447 2044 1 5 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.919 -0.903 25447 2045 1 5 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.287 -0.450 25447 2046 1 5 . 1 1 75 75 PHE H H 75 8.353 8.353 8.589 -0.236 25447 2047 1 5 . 1 1 76 76 VAL N N 76 120.866 120.866 119.002 1.864 25447 2048 1 5 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.352 -0.409 25447 2049 1 5 . 1 1 76 76 VAL CA C 76 66.901 66.901 67.109 -0.207 25447 2050 1 5 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.801 -0.554 25447 2051 1 5 . 1 1 76 76 VAL H H 76 8.544 8.544 7.821 0.723 25447 2052 1 5 . 1 1 77 77 VAL N N 77 121.408 121.408 120.079 1.329 25447 2053 1 5 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.813 -0.318 25447 2054 1 5 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.279 0.554 25447 2055 1 5 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.160 0.770 25447 2056 1 5 . 1 1 77 77 VAL H H 77 8.708 8.708 8.056 0.652 25447 2057 1 5 . 1 1 78 78 GLY N N 78 106.402 106.402 107.235 -0.833 25447 2058 1 5 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.153 -0.313 25447 2059 1 5 . 1 1 78 78 GLY H H 78 7.945 7.945 8.679 -0.734 25447 2060 1 5 . 1 1 79 79 ALA N N 79 121.146 121.146 122.744 -1.598 25447 2061 1 5 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.970 0.237 25447 2062 1 5 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.489 -1.560 25447 2063 1 5 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.259 1.002 25447 2064 1 5 . 1 1 79 79 ALA H H 79 7.639 7.639 7.575 0.064 25447 2065 1 5 . 1 1 80 80 THR N N 80 107.668 107.668 110.141 -2.473 25447 2066 1 5 . 1 1 80 80 THR HA H 80 4.443 4.443 4.279 0.164 25447 2067 1 5 . 1 1 80 80 THR CA C 80 61.406 61.406 63.308 -1.902 25447 2068 1 5 . 1 1 80 80 THR CB C 80 70.767 70.767 69.645 1.122 25447 2069 1 5 . 1 1 80 80 THR H H 80 7.449 7.449 7.688 -0.239 25447 2070 1 5 . 1 1 81 81 THR N N 81 119.953 119.953 116.413 3.540 25447 2071 1 5 . 1 1 81 81 THR HA H 81 4.665 4.665 4.839 -0.174 25447 2072 1 5 . 1 1 81 81 THR CA C 81 60.412 60.412 59.128 1.284 25447 2073 1 5 . 1 1 81 81 THR CB C 81 70.113 70.113 69.797 0.316 25447 2074 1 5 . 1 1 81 81 THR H H 81 7.685 7.685 8.091 -0.406 25447 2075 1 5 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.702 -0.013 25447 2076 1 5 . 1 1 82 82 PRO CA C 82 61.688 61.688 61.851 -0.163 25447 2077 1 5 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.763 0.206 25447 2078 1 5 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.471 0.010 25447 2079 1 5 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.206 0.725 25447 2080 1 5 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.863 -0.670 25447 2081 1 5 . 1 1 84 84 VAL N N 84 120.691 120.691 117.930 2.761 25447 2082 1 5 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.311 -0.218 25447 2083 1 5 . 1 1 84 84 VAL CA C 84 62.339 62.339 60.886 1.453 25447 2084 1 5 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.928 -0.077 25447 2085 1 5 . 1 1 84 84 VAL H H 84 8.257 8.257 7.961 0.296 25447 2086 1 5 . 1 1 85 85 GLU N N 85 127.655 127.655 123.841 3.814 25447 2087 1 5 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.877 0.407 25447 2088 1 5 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.182 0.572 25447 2089 1 5 . 1 1 85 85 GLU CB C 85 30.559 30.559 29.656 0.903 25447 2090 1 5 . 1 1 85 85 GLU H H 85 8.202 8.202 8.644 -0.442 25447 2091 1 5 . 1 1 86 86 ALA N N 86 126.437 126.437 123.191 3.246 25447 2092 1 5 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.111 -0.060 25447 2093 1 5 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.768 -0.620 25447 2094 1 5 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.708 -0.248 25447 2095 1 5 . 1 1 86 86 ALA H H 86 8.323 8.323 8.313 0.010 25447 2096 1 5 . 1 1 87 87 LYS N N 87 121.796 121.796 120.688 1.108 25447 2097 1 5 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.047 0.300 25447 2098 1 5 . 1 1 87 87 LYS CA C 87 56.297 56.297 57.745 -1.448 25447 2099 1 5 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.597 0.679 25447 2100 1 5 . 1 1 87 87 LYS H H 87 8.333 8.333 8.415 -0.082 25447 2101 1 5 . 1 1 88 88 LEU N N 88 125.576 125.576 120.421 5.155 25447 2102 1 5 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.416 -0.509 25447 2103 1 5 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.280 1.492 25447 2104 1 5 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.402 0.070 25447 2105 1 5 . 1 1 88 88 LEU H H 88 8.444 8.444 7.512 0.932 25447 2106 1 6 . 1 1 1 1 MET N N 1 120.668 120.668 115.645 5.023 25447 2107 1 6 . 1 1 1 1 MET HA H 1 4.484 4.484 4.467 0.017 25447 2108 1 6 . 1 1 1 1 MET CA C 1 55.257 55.257 55.264 -0.007 25447 2109 1 6 . 1 1 1 1 MET CB C 1 34.517 34.517 33.997 0.520 25447 2110 1 6 . 1 1 1 1 MET H H 1 8.313 8.313 7.541 0.772 25447 2111 1 6 . 1 1 2 2 GLN N N 2 123.739 123.739 118.749 4.990 25447 2112 1 6 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.271 -0.241 25447 2113 1 6 . 1 1 2 2 GLN CA C 2 57.874 57.874 54.654 3.220 25447 2114 1 6 . 1 1 2 2 GLN CB C 2 29.938 29.938 29.812 0.126 25447 2115 1 6 . 1 1 2 2 GLN H H 2 9.455 9.455 8.334 1.121 25447 2116 1 6 . 1 1 3 3 HIS N N 3 119.115 119.115 120.848 -1.733 25447 2117 1 6 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.171 0.945 25447 2118 1 6 . 1 1 3 3 HIS CA C 3 55.494 55.494 57.187 -1.692 25447 2119 1 6 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.419 3.596 25447 2120 1 6 . 1 1 3 3 HIS H H 3 9.783 9.783 8.734 1.049 25447 2121 1 6 . 1 1 4 4 ALA N N 4 122.648 122.648 122.131 0.517 25447 2122 1 6 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.028 -0.125 25447 2123 1 6 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.015 1.464 25447 2124 1 6 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.756 0.438 25447 2125 1 6 . 1 1 4 4 ALA H H 4 7.551 7.551 8.394 -0.843 25447 2126 1 6 . 1 1 5 5 SER N N 5 112.599 112.599 113.756 -1.157 25447 2127 1 6 . 1 1 5 5 SER HA H 5 4.298 4.298 4.249 0.049 25447 2128 1 6 . 1 1 5 5 SER CA C 5 62.117 62.117 61.378 0.739 25447 2129 1 6 . 1 1 5 5 SER CB C 5 62.334 62.334 62.511 -0.177 25447 2130 1 6 . 1 1 5 5 SER H H 5 8.736 8.736 8.981 -0.245 25447 2131 1 6 . 1 1 6 6 VAL N N 6 122.866 122.866 122.991 -0.125 25447 2132 1 6 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.800 0.305 25447 2133 1 6 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.528 -0.796 25447 2134 1 6 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.588 1.149 25447 2135 1 6 . 1 1 6 6 VAL H H 6 7.660 7.660 7.256 0.404 25447 2136 1 6 . 1 1 7 7 ILE N N 7 121.715 121.715 120.101 1.614 25447 2137 1 6 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.158 0.066 25447 2138 1 6 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.889 -0.560 25447 2139 1 6 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.560 1.133 25447 2140 1 6 . 1 1 7 7 ILE H H 7 8.519 8.519 7.842 0.677 25447 2141 1 6 . 1 1 8 8 ALA N N 8 121.373 121.373 121.271 0.102 25447 2142 1 6 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.012 -0.117 25447 2143 1 6 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.333 0.924 25447 2144 1 6 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.016 0.624 25447 2145 1 6 . 1 1 8 8 ALA H H 8 8.940 8.940 7.942 0.998 25447 2146 1 6 . 1 1 9 9 GLN N N 9 115.076 115.076 119.228 -4.152 25447 2147 1 6 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.944 -0.074 25447 2148 1 6 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.991 0.201 25447 2149 1 6 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.615 -0.477 25447 2150 1 6 . 1 1 9 9 GLN H H 9 7.729 7.729 7.886 -0.157 25447 2151 1 6 . 1 1 10 10 PHE N N 10 120.207 120.207 118.774 1.433 25447 2152 1 6 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.847 0.238 25447 2153 1 6 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.748 -0.855 25447 2154 1 6 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.069 0.863 25447 2155 1 6 . 1 1 10 10 PHE H H 10 7.301 7.301 7.866 -0.565 25447 2156 1 6 . 1 1 11 11 VAL N N 11 117.569 117.569 117.495 0.074 25447 2157 1 6 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.912 -0.605 25447 2158 1 6 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.853 0.655 25447 2159 1 6 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.397 0.090 25447 2160 1 6 . 1 1 11 11 VAL H H 11 8.370 8.370 7.861 0.509 25447 2161 1 6 . 1 1 12 12 VAL N N 12 117.909 117.909 121.177 -3.268 25447 2162 1 6 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.640 0.101 25447 2163 1 6 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.981 -1.105 25447 2164 1 6 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.408 -0.096 25447 2165 1 6 . 1 1 12 12 VAL H H 12 8.294 8.294 8.115 0.179 25447 2166 1 6 . 1 1 13 13 GLU N N 13 117.918 117.918 118.960 -1.042 25447 2167 1 6 . 1 1 13 13 GLU HA H 13 3.742 3.742 4.002 -0.260 25447 2168 1 6 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.877 0.430 25447 2169 1 6 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.294 0.195 25447 2170 1 6 . 1 1 13 13 GLU H H 13 7.750 7.750 8.215 -0.465 25447 2171 1 6 . 1 1 14 14 GLU N N 14 113.478 113.478 118.201 -4.723 25447 2172 1 6 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.135 -0.357 25447 2173 1 6 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.787 -1.987 25447 2174 1 6 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.314 -0.672 25447 2175 1 6 . 1 1 14 14 GLU H H 14 7.603 7.603 8.020 -0.417 25447 2176 1 6 . 1 1 15 15 PHE N N 15 114.193 114.193 115.983 -1.790 25447 2177 1 6 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.639 0.300 25447 2178 1 6 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.893 -0.798 25447 2179 1 6 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.196 -0.101 25447 2180 1 6 . 1 1 15 15 PHE H H 15 7.908 7.908 7.616 0.292 25447 2181 1 6 . 1 1 16 16 LEU N N 16 121.492 121.492 121.519 -0.027 25447 2182 1 6 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.779 0.188 25447 2183 1 6 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.114 0.263 25447 2184 1 6 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.381 1.352 25447 2185 1 6 . 1 1 16 16 LEU H H 16 8.015 8.015 7.956 0.059 25447 2186 1 6 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.402 -0.019 25447 2187 1 6 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.817 1.041 25447 2188 1 6 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.731 0.098 25447 2189 1 6 . 1 1 18 18 ASP N N 18 116.508 116.508 117.954 -1.446 25447 2190 1 6 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.554 0.014 25447 2191 1 6 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.261 1.427 25447 2192 1 6 . 1 1 18 18 ASP CB C 18 40.626 40.626 39.969 0.656 25447 2193 1 6 . 1 1 18 18 ASP H H 18 8.399 8.399 8.599 -0.200 25447 2194 1 6 . 1 1 19 19 VAL N N 19 122.135 122.135 120.842 1.293 25447 2195 1 6 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.159 -0.041 25447 2196 1 6 . 1 1 19 19 VAL CA C 19 61.293 61.293 61.251 0.042 25447 2197 1 6 . 1 1 19 19 VAL CB C 19 33.582 33.582 34.643 -1.061 25447 2198 1 6 . 1 1 19 19 VAL H H 19 7.760 7.760 7.178 0.582 25447 2199 1 6 . 1 1 20 20 ALA N N 20 129.301 129.301 130.130 -0.829 25447 2200 1 6 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.509 0.090 25447 2201 1 6 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.252 0.018 25447 2202 1 6 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.197 -0.769 25447 2203 1 6 . 1 1 20 20 ALA H H 20 8.761 8.761 8.402 0.359 25447 2204 1 6 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.158 -0.081 25447 2205 1 6 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.384 0.819 25447 2206 1 6 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.781 -0.373 25447 2207 1 6 . 1 1 22 22 ALA N N 22 116.106 116.106 117.987 -1.881 25447 2208 1 6 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.131 -0.014 25447 2209 1 6 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.172 -0.176 25447 2210 1 6 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.225 0.619 25447 2211 1 6 . 1 1 22 22 ALA H H 22 8.064 8.064 7.904 0.160 25447 2212 1 6 . 1 1 23 23 ASP N N 23 115.541 115.541 118.183 -2.642 25447 2213 1 6 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.623 0.054 25447 2214 1 6 . 1 1 23 23 ASP CA C 23 54.336 54.336 54.007 0.329 25447 2215 1 6 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.889 0.464 25447 2216 1 6 . 1 1 23 23 ASP H H 23 8.003 8.003 8.108 -0.105 25447 2217 1 6 . 1 1 24 24 VAL N N 24 121.517 121.517 120.426 1.091 25447 2218 1 6 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.164 -0.343 25447 2219 1 6 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.460 0.885 25447 2220 1 6 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.338 -1.605 25447 2221 1 6 . 1 1 24 24 VAL H H 24 7.069 7.069 7.452 -0.383 25447 2222 1 6 . 1 1 25 25 ASP N N 25 129.329 129.329 126.741 2.588 25447 2223 1 6 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.828 -0.254 25447 2224 1 6 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.488 1.078 25447 2225 1 6 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.447 0.886 25447 2226 1 6 . 1 1 25 25 ASP H H 25 8.474 8.474 8.674 -0.200 25447 2227 1 6 . 1 1 26 26 VAL N N 26 121.920 121.920 120.450 1.470 25447 2228 1 6 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.032 0.076 25447 2229 1 6 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.573 0.945 25447 2230 1 6 . 1 1 26 26 VAL CB C 26 31.198 31.198 32.152 -0.954 25447 2231 1 6 . 1 1 26 26 VAL H H 26 8.591 8.591 8.564 0.027 25447 2232 1 6 . 1 1 27 27 ASP N N 27 116.286 116.286 119.421 -3.135 25447 2233 1 6 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.614 0.531 25447 2234 1 6 . 1 1 27 27 ASP CA C 27 54.181 54.181 55.532 -1.351 25447 2235 1 6 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.725 1.850 25447 2236 1 6 . 1 1 27 27 ASP H H 27 8.609 8.609 8.273 0.336 25447 2237 1 6 . 1 1 28 28 LEU N N 28 125.116 125.116 121.719 3.397 25447 2238 1 6 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.396 -0.385 25447 2239 1 6 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.728 1.359 25447 2240 1 6 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.358 -0.037 25447 2241 1 6 . 1 1 28 28 LEU H H 28 7.374 7.374 7.292 0.082 25447 2242 1 6 . 1 1 29 29 ASP N N 29 125.924 125.924 124.202 1.722 25447 2243 1 6 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.558 0.276 25447 2244 1 6 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.066 -1.146 25447 2245 1 6 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.252 0.127 25447 2246 1 6 . 1 1 29 29 ASP H H 29 8.699 8.699 8.678 0.021 25447 2247 1 6 . 1 1 30 30 LEU N N 30 129.975 129.975 126.321 3.654 25447 2248 1 6 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.146 -0.230 25447 2249 1 6 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.411 -1.023 25447 2250 1 6 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.354 -0.115 25447 2251 1 6 . 1 1 30 30 LEU H H 30 9.718 9.718 8.504 1.214 25447 2252 1 6 . 1 1 31 31 VAL N N 31 121.212 121.212 118.234 2.978 25447 2253 1 6 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.631 0.562 25447 2254 1 6 . 1 1 31 31 VAL CA C 31 64.433 64.433 65.812 -1.379 25447 2255 1 6 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.095 1.080 25447 2256 1 6 . 1 1 31 31 VAL H H 31 8.163 8.163 7.578 0.585 25447 2257 1 6 . 1 1 32 32 ASP N N 32 124.893 124.893 119.133 5.760 25447 2258 1 6 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.318 0.040 25447 2259 1 6 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.680 0.545 25447 2260 1 6 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.096 0.639 25447 2261 1 6 . 1 1 32 32 ASP H H 32 9.385 9.385 8.713 0.672 25447 2262 1 6 . 1 1 33 33 ASN N N 33 111.484 111.484 116.251 -4.767 25447 2263 1 6 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.579 0.141 25447 2264 1 6 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.675 0.211 25447 2265 1 6 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.059 -0.054 25447 2266 1 6 . 1 1 33 33 ASN H H 33 7.396 7.396 7.673 -0.277 25447 2267 1 6 . 1 1 34 34 GLY N N 34 106.957 106.957 106.186 0.771 25447 2268 1 6 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.395 1.212 25447 2269 1 6 . 1 1 34 34 GLY H H 34 7.618 7.618 7.915 -0.297 25447 2270 1 6 . 1 1 35 35 VAL N N 35 120.424 120.424 118.622 1.802 25447 2271 1 6 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.442 0.324 25447 2272 1 6 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.987 0.138 25447 2273 1 6 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.892 -0.013 25447 2274 1 6 . 1 1 35 35 VAL H H 35 7.792 7.792 7.805 -0.013 25447 2275 1 6 . 1 1 36 36 ILE N N 36 116.364 116.364 119.300 -2.936 25447 2276 1 6 . 1 1 36 36 ILE HA H 36 3.737 3.737 4.041 -0.304 25447 2277 1 6 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.129 -0.444 25447 2278 1 6 . 1 1 36 36 ILE CB C 36 38.807 38.807 38.549 0.258 25447 2279 1 6 . 1 1 36 36 ILE H H 36 7.331 7.331 7.664 -0.333 25447 2280 1 6 . 1 1 37 37 ASP N N 37 127.306 127.306 125.632 1.674 25447 2281 1 6 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.643 0.021 25447 2282 1 6 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.501 -0.885 25447 2283 1 6 . 1 1 37 37 ASP CB C 37 41.209 41.209 43.823 -2.614 25447 2284 1 6 . 1 1 37 37 ASP H H 37 7.874 7.874 8.007 -0.133 25447 2285 1 6 . 1 1 38 38 ALA N N 38 120.352 120.352 122.766 -2.414 25447 2286 1 6 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.072 -0.077 25447 2287 1 6 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.384 0.908 25447 2288 1 6 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.471 -0.159 25447 2289 1 6 . 1 1 38 38 ALA H H 38 8.244 8.244 8.328 -0.084 25447 2290 1 6 . 1 1 39 39 LEU N N 39 117.438 117.438 119.260 -1.822 25447 2291 1 6 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.206 0.044 25447 2292 1 6 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.519 -0.164 25447 2293 1 6 . 1 1 39 39 LEU CB C 39 41.236 41.236 40.944 0.292 25447 2294 1 6 . 1 1 39 39 LEU H H 39 7.688 7.688 8.326 -0.638 25447 2295 1 6 . 1 1 40 40 GLY N N 40 112.015 112.015 107.370 4.645 25447 2296 1 6 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.163 0.936 25447 2297 1 6 . 1 1 40 40 GLY H H 40 8.732 8.732 8.206 0.526 25447 2298 1 6 . 1 1 41 41 LEU N N 41 122.983 122.983 123.163 -0.180 25447 2299 1 6 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.770 0.081 25447 2300 1 6 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.352 0.980 25447 2301 1 6 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.776 -0.138 25447 2302 1 6 . 1 1 41 41 LEU H H 41 8.548 8.548 8.366 0.182 25447 2303 1 6 . 1 1 42 42 LEU N N 42 116.076 116.076 119.941 -3.865 25447 2304 1 6 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.846 0.181 25447 2305 1 6 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.453 -0.389 25447 2306 1 6 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.776 -0.837 25447 2307 1 6 . 1 1 42 42 LEU H H 42 7.168 7.168 7.614 -0.446 25447 2308 1 6 . 1 1 43 43 LYS N N 43 119.831 119.831 118.873 0.958 25447 2309 1 6 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.017 0.267 25447 2310 1 6 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.997 -0.353 25447 2311 1 6 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.340 0.187 25447 2312 1 6 . 1 1 43 43 LYS H H 43 7.640 7.640 8.195 -0.555 25447 2313 1 6 . 1 1 44 44 VAL N N 44 121.046 121.046 120.419 0.627 25447 2314 1 6 . 1 1 44 44 VAL HA H 44 3.949 3.949 3.865 0.084 25447 2315 1 6 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.777 -0.134 25447 2316 1 6 . 1 1 44 44 VAL H H 44 8.269 8.269 7.775 0.494 25447 2317 1 6 . 1 1 45 45 ILE N N 45 119.333 119.333 119.273 0.060 25447 2318 1 6 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.729 -0.325 25447 2319 1 6 . 1 1 45 45 ILE CA C 45 66.148 66.148 62.461 3.687 25447 2320 1 6 . 1 1 45 45 ILE CB C 45 38.277 38.277 35.834 2.443 25447 2321 1 6 . 1 1 45 45 ILE H H 45 8.145 8.145 7.631 0.514 25447 2322 1 6 . 1 1 46 46 ALA N N 46 121.213 121.213 123.367 -2.154 25447 2323 1 6 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.128 0.129 25447 2324 1 6 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.139 0.025 25447 2325 1 6 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.492 -0.124 25447 2326 1 6 . 1 1 46 46 ALA H H 46 7.792 7.792 7.811 -0.019 25447 2327 1 6 . 1 1 47 47 TRP N N 47 121.416 121.416 120.350 1.066 25447 2328 1 6 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.434 -0.200 25447 2329 1 6 . 1 1 47 47 TRP CA C 47 61.670 61.670 60.019 1.651 25447 2330 1 6 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.418 -1.179 25447 2331 1 6 . 1 1 47 47 TRP H H 47 8.093 8.093 8.024 0.069 25447 2332 1 6 . 1 1 48 48 LEU N N 48 118.963 118.963 121.140 -2.177 25447 2333 1 6 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.806 0.780 25447 2334 1 6 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.709 0.486 25447 2335 1 6 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.211 1.040 25447 2336 1 6 . 1 1 48 48 LEU H H 48 8.693 8.693 7.575 1.118 25447 2337 1 6 . 1 1 49 49 GLU N N 49 119.131 119.131 117.518 1.613 25447 2338 1 6 . 1 1 49 49 GLU HA H 49 4.050 4.050 4.002 0.048 25447 2339 1 6 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.147 0.715 25447 2340 1 6 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.683 0.903 25447 2341 1 6 . 1 1 49 49 GLU H H 49 7.771 7.771 7.722 0.049 25447 2342 1 6 . 1 1 50 50 ASP N N 50 119.941 119.941 120.409 -0.468 25447 2343 1 6 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.444 -0.207 25447 2344 1 6 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.474 0.881 25447 2345 1 6 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.761 1.622 25447 2346 1 6 . 1 1 50 50 ASP H H 50 7.697 7.697 7.579 0.118 25447 2347 1 6 . 1 1 51 51 ARG N N 51 116.911 116.911 118.034 -1.123 25447 2348 1 6 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.073 -0.337 25447 2349 1 6 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.090 -1.726 25447 2350 1 6 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.142 -0.827 25447 2351 1 6 . 1 1 51 51 ARG H H 51 8.881 8.881 7.963 0.918 25447 2352 1 6 . 1 1 52 52 PHE N N 52 112.328 112.328 116.407 -4.079 25447 2353 1 6 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.644 0.031 25447 2354 1 6 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.898 -0.485 25447 2355 1 6 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.240 1.652 25447 2356 1 6 . 1 1 52 52 PHE H H 52 7.284 7.284 7.606 -0.322 25447 2357 1 6 . 1 1 53 53 GLY N N 53 109.826 109.826 108.776 1.050 25447 2358 1 6 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.622 1.179 25447 2359 1 6 . 1 1 53 53 GLY H H 53 7.427 7.427 7.894 -0.467 25447 2360 1 6 . 1 1 54 54 ILE N N 54 119.127 119.127 115.276 3.851 25447 2361 1 6 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.501 -0.550 25447 2362 1 6 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.621 1.064 25447 2363 1 6 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.723 -0.233 25447 2364 1 6 . 1 1 54 54 ILE H H 54 6.876 6.876 7.633 -0.757 25447 2365 1 6 . 1 1 55 55 ALA N N 55 129.823 129.823 125.909 3.914 25447 2366 1 6 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.519 -0.105 25447 2367 1 6 . 1 1 55 55 ALA CA C 55 51.610 51.610 51.040 0.570 25447 2368 1 6 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.302 -1.040 25447 2369 1 6 . 1 1 55 55 ALA H H 55 8.499 8.499 8.110 0.389 25447 2370 1 6 . 1 1 56 56 ALA N N 56 126.300 126.300 122.754 3.546 25447 2371 1 6 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.216 0.053 25447 2372 1 6 . 1 1 56 56 ALA CA C 56 53.474 53.474 53.392 0.082 25447 2373 1 6 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.953 0.291 25447 2374 1 6 . 1 1 56 56 ALA H H 56 8.641 8.641 8.380 0.261 25447 2375 1 6 . 1 1 57 57 ASP N N 57 116.395 116.395 116.544 -0.149 25447 2376 1 6 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.411 0.068 25447 2377 1 6 . 1 1 57 57 ASP CA C 57 55.226 55.226 54.410 0.816 25447 2378 1 6 . 1 1 57 57 ASP CB C 57 40.922 40.922 39.616 1.306 25447 2379 1 6 . 1 1 57 57 ASP H H 57 8.337 8.337 8.082 0.255 25447 2380 1 6 . 1 1 58 58 ASP N N 58 118.557 118.557 115.106 3.451 25447 2381 1 6 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.265 0.371 25447 2382 1 6 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.008 0.136 25447 2383 1 6 . 1 1 58 58 ASP CB C 58 41.504 41.504 39.720 1.784 25447 2384 1 6 . 1 1 58 58 ASP H H 58 8.027 8.027 8.537 -0.510 25447 2385 1 6 . 1 1 59 59 VAL N N 59 118.898 118.898 118.535 0.363 25447 2386 1 6 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.244 -0.068 25447 2387 1 6 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.452 0.848 25447 2388 1 6 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.098 -1.020 25447 2389 1 6 . 1 1 59 59 VAL H H 59 7.716 7.716 7.447 0.269 25447 2390 1 6 . 1 1 60 60 GLU N N 60 122.888 122.888 126.676 -3.788 25447 2391 1 6 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.597 -0.313 25447 2392 1 6 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.665 0.881 25447 2393 1 6 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.858 -1.077 25447 2394 1 6 . 1 1 60 60 GLU H H 60 8.367 8.367 8.443 -0.076 25447 2395 1 6 . 1 1 61 61 LEU N N 61 124.827 124.827 125.547 -0.720 25447 2396 1 6 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.626 -0.268 25447 2397 1 6 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.237 0.579 25447 2398 1 6 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.241 -1.304 25447 2399 1 6 . 1 1 61 61 LEU H H 61 8.198 8.198 8.521 -0.323 25447 2400 1 6 . 1 1 62 62 SER N N 62 118.715 118.715 118.358 0.357 25447 2401 1 6 . 1 1 62 62 SER HA H 62 4.809 4.809 4.873 -0.064 25447 2402 1 6 . 1 1 62 62 SER CA C 62 55.732 55.732 55.868 -0.136 25447 2403 1 6 . 1 1 62 62 SER CB C 62 64.017 64.017 63.473 0.544 25447 2404 1 6 . 1 1 62 62 SER H H 62 8.137 8.137 8.200 -0.063 25447 2405 1 6 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.154 0.099 25447 2406 1 6 . 1 1 63 63 PRO CA C 63 64.896 64.896 64.924 -0.028 25447 2407 1 6 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.738 0.314 25447 2408 1 6 . 1 1 64 64 GLU N N 64 116.554 116.554 118.727 -2.173 25447 2409 1 6 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.159 -0.286 25447 2410 1 6 . 1 1 64 64 GLU CA C 64 58.719 58.719 59.366 -0.647 25447 2411 1 6 . 1 1 64 64 GLU CB C 64 28.681 28.681 28.983 -0.302 25447 2412 1 6 . 1 1 64 64 GLU H H 64 8.316 8.316 9.043 -0.727 25447 2413 1 6 . 1 1 65 65 HIS N N 65 115.487 115.487 119.367 -3.880 25447 2414 1 6 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.272 0.008 25447 2415 1 6 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.179 -0.527 25447 2416 1 6 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.689 0.192 25447 2417 1 6 . 1 1 65 65 HIS H H 65 7.274 7.274 8.028 -0.754 25447 2418 1 6 . 1 1 66 66 PHE N N 66 116.127 116.127 115.935 0.192 25447 2419 1 6 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.381 0.385 25447 2420 1 6 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.436 -1.654 25447 2421 1 6 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.835 1.073 25447 2422 1 6 . 1 1 66 66 PHE H H 66 7.239 7.239 7.737 -0.498 25447 2423 1 6 . 1 1 67 67 ARG N N 67 112.468 112.468 119.629 -7.161 25447 2424 1 6 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.965 0.120 25447 2425 1 6 . 1 1 67 67 ARG CA C 67 58.287 58.287 58.938 -0.651 25447 2426 1 6 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.475 1.285 25447 2427 1 6 . 1 1 67 67 ARG H H 67 6.628 6.628 7.820 -1.192 25447 2428 1 6 . 1 1 68 68 SER N N 68 109.305 109.305 111.111 -1.806 25447 2429 1 6 . 1 1 68 68 SER HA H 68 4.980 4.980 4.736 0.244 25447 2430 1 6 . 1 1 68 68 SER CA C 68 55.785 55.785 56.365 -0.580 25447 2431 1 6 . 1 1 68 68 SER CB C 68 67.691 67.691 65.282 2.409 25447 2432 1 6 . 1 1 68 68 SER H H 68 8.145 8.145 7.429 0.716 25447 2433 1 6 . 1 1 69 69 ILE N N 69 122.602 122.602 124.958 -2.356 25447 2434 1 6 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.763 -0.087 25447 2435 1 6 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.401 1.353 25447 2436 1 6 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.695 -0.399 25447 2437 1 6 . 1 1 69 69 ILE H H 69 9.775 9.775 9.035 0.740 25447 2438 1 6 . 1 1 70 70 ARG N N 70 118.764 118.764 119.120 -0.356 25447 2439 1 6 . 1 1 70 70 ARG HA H 70 3.955 3.955 4.018 -0.063 25447 2440 1 6 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.847 0.686 25447 2441 1 6 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.843 0.575 25447 2442 1 6 . 1 1 70 70 ARG H H 70 8.910 8.910 7.695 1.215 25447 2443 1 6 . 1 1 71 71 SER N N 71 117.670 117.670 115.017 2.653 25447 2444 1 6 . 1 1 71 71 SER HA H 71 4.330 4.330 4.279 0.051 25447 2445 1 6 . 1 1 71 71 SER CA C 71 62.287 62.287 61.426 0.861 25447 2446 1 6 . 1 1 71 71 SER CB C 71 63.278 63.278 62.756 0.522 25447 2447 1 6 . 1 1 71 71 SER H H 71 8.518 8.518 7.619 0.899 25447 2448 1 6 . 1 1 72 72 ILE N N 72 127.447 127.447 123.158 4.289 25447 2449 1 6 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.725 0.185 25447 2450 1 6 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.252 1.559 25447 2451 1 6 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.630 0.768 25447 2452 1 6 . 1 1 72 72 ILE H H 72 8.762 8.762 7.621 1.141 25447 2453 1 6 . 1 1 73 73 ASP N N 73 121.636 121.636 120.435 1.201 25447 2454 1 6 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.352 -0.339 25447 2455 1 6 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.396 1.752 25447 2456 1 6 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.624 2.916 25447 2457 1 6 . 1 1 73 73 ASP H H 73 8.677 8.677 8.422 0.255 25447 2458 1 6 . 1 1 74 74 ALA N N 74 118.793 118.793 122.196 -3.403 25447 2459 1 6 . 1 1 74 74 ALA HA H 74 4.044 4.044 3.997 0.047 25447 2460 1 6 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.299 0.022 25447 2461 1 6 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.445 -0.499 25447 2462 1 6 . 1 1 74 74 ALA H H 74 8.005 8.005 7.670 0.335 25447 2463 1 6 . 1 1 75 75 PHE N N 75 121.235 121.235 119.659 1.576 25447 2464 1 6 . 1 1 75 75 PHE HA H 75 4.038 4.038 3.995 0.043 25447 2465 1 6 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.752 -0.737 25447 2466 1 6 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.245 -0.408 25447 2467 1 6 . 1 1 75 75 PHE H H 75 8.353 8.353 8.412 -0.059 25447 2468 1 6 . 1 1 76 76 VAL N N 76 120.866 120.866 118.866 2.000 25447 2469 1 6 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.332 -0.389 25447 2470 1 6 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.697 0.204 25447 2471 1 6 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.213 0.034 25447 2472 1 6 . 1 1 76 76 VAL H H 76 8.544 8.544 8.450 0.094 25447 2473 1 6 . 1 1 77 77 VAL N N 77 121.408 121.408 119.541 1.867 25447 2474 1 6 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.729 -0.234 25447 2475 1 6 . 1 1 77 77 VAL CA C 77 66.833 66.833 64.723 2.110 25447 2476 1 6 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.084 0.846 25447 2477 1 6 . 1 1 77 77 VAL H H 77 8.708 8.708 8.277 0.431 25447 2478 1 6 . 1 1 78 78 GLY N N 78 106.402 106.402 106.978 -0.576 25447 2479 1 6 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.857 -0.017 25447 2480 1 6 . 1 1 78 78 GLY H H 78 7.945 7.945 8.519 -0.574 25447 2481 1 6 . 1 1 79 79 ALA N N 79 121.146 121.146 122.236 -1.090 25447 2482 1 6 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.954 0.253 25447 2483 1 6 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.034 -1.105 25447 2484 1 6 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.677 0.584 25447 2485 1 6 . 1 1 79 79 ALA H H 79 7.639 7.639 7.274 0.365 25447 2486 1 6 . 1 1 80 80 THR N N 80 107.668 107.668 107.337 0.331 25447 2487 1 6 . 1 1 80 80 THR HA H 80 4.443 4.443 4.466 -0.023 25447 2488 1 6 . 1 1 80 80 THR CA C 80 61.406 61.406 62.193 -0.787 25447 2489 1 6 . 1 1 80 80 THR CB C 80 70.767 70.767 70.331 0.437 25447 2490 1 6 . 1 1 80 80 THR H H 80 7.449 7.449 7.718 -0.269 25447 2491 1 6 . 1 1 81 81 THR N N 81 119.953 119.953 117.246 2.707 25447 2492 1 6 . 1 1 81 81 THR HA H 81 4.665 4.665 4.862 -0.197 25447 2493 1 6 . 1 1 81 81 THR CA C 81 60.412 60.412 59.349 1.063 25447 2494 1 6 . 1 1 81 81 THR CB C 81 70.113 70.113 69.112 1.001 25447 2495 1 6 . 1 1 81 81 THR H H 81 7.685 7.685 8.163 -0.478 25447 2496 1 6 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.330 0.359 25447 2497 1 6 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.525 -0.837 25447 2498 1 6 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.863 0.106 25447 2499 1 6 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.314 0.167 25447 2500 1 6 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.324 0.607 25447 2501 1 6 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.200 -0.007 25447 2502 1 6 . 1 1 84 84 VAL N N 84 120.691 120.691 121.154 -0.463 25447 2503 1 6 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.153 -0.060 25447 2504 1 6 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.569 0.770 25447 2505 1 6 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.608 0.243 25447 2506 1 6 . 1 1 84 84 VAL H H 84 8.257 8.257 8.147 0.110 25447 2507 1 6 . 1 1 85 85 GLU N N 85 127.655 127.655 126.362 1.293 25447 2508 1 6 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.921 0.363 25447 2509 1 6 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.188 0.566 25447 2510 1 6 . 1 1 85 85 GLU CB C 85 30.559 30.559 29.275 1.284 25447 2511 1 6 . 1 1 85 85 GLU H H 85 8.202 8.202 8.771 -0.569 25447 2512 1 6 . 1 1 86 86 ALA N N 86 126.437 126.437 122.533 3.904 25447 2513 1 6 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.155 -0.104 25447 2514 1 6 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.859 -0.711 25447 2515 1 6 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.606 -0.146 25447 2516 1 6 . 1 1 86 86 ALA H H 86 8.323 8.323 8.177 0.146 25447 2517 1 6 . 1 1 87 87 LYS N N 87 121.796 121.796 121.337 0.459 25447 2518 1 6 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.267 0.080 25447 2519 1 6 . 1 1 87 87 LYS CA C 87 56.297 56.297 56.061 0.236 25447 2520 1 6 . 1 1 87 87 LYS CB C 87 33.276 33.276 33.133 0.143 25447 2521 1 6 . 1 1 87 87 LYS H H 87 8.333 8.333 8.371 -0.038 25447 2522 1 6 . 1 1 88 88 LEU N N 88 125.576 125.576 121.272 4.304 25447 2523 1 6 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.385 -0.478 25447 2524 1 6 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.757 1.015 25447 2525 1 6 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.117 0.355 25447 2526 1 6 . 1 1 88 88 LEU H H 88 8.444 8.444 8.140 0.304 25447 2527 1 7 . 1 1 1 1 MET N N 1 120.668 120.668 115.908 4.760 25447 2528 1 7 . 1 1 1 1 MET HA H 1 4.484 4.484 4.523 -0.039 25447 2529 1 7 . 1 1 1 1 MET CA C 1 55.257 55.257 54.785 0.472 25447 2530 1 7 . 1 1 1 1 MET CB C 1 34.517 34.517 33.886 0.631 25447 2531 1 7 . 1 1 1 1 MET H H 1 8.313 8.313 7.523 0.790 25447 2532 1 7 . 1 1 2 2 GLN N N 2 123.739 123.739 118.858 4.881 25447 2533 1 7 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.271 -0.240 25447 2534 1 7 . 1 1 2 2 GLN CA C 2 57.874 57.874 54.977 2.897 25447 2535 1 7 . 1 1 2 2 GLN CB C 2 29.938 29.938 28.057 1.881 25447 2536 1 7 . 1 1 2 2 GLN H H 2 9.455 9.455 8.327 1.128 25447 2537 1 7 . 1 1 3 3 HIS N N 3 119.115 119.115 120.523 -1.408 25447 2538 1 7 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.122 0.994 25447 2539 1 7 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.745 -1.251 25447 2540 1 7 . 1 1 3 3 HIS CB C 3 31.015 31.015 28.213 2.802 25447 2541 1 7 . 1 1 3 3 HIS H H 3 9.783 9.783 8.863 0.920 25447 2542 1 7 . 1 1 4 4 ALA N N 4 122.648 122.648 122.054 0.594 25447 2543 1 7 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.118 -0.215 25447 2544 1 7 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.405 1.074 25447 2545 1 7 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.792 0.402 25447 2546 1 7 . 1 1 4 4 ALA H H 4 7.551 7.551 8.423 -0.872 25447 2547 1 7 . 1 1 5 5 SER N N 5 112.599 112.599 113.761 -1.162 25447 2548 1 7 . 1 1 5 5 SER HA H 5 4.298 4.298 4.330 -0.032 25447 2549 1 7 . 1 1 5 5 SER CA C 5 62.117 62.117 61.138 0.979 25447 2550 1 7 . 1 1 5 5 SER CB C 5 62.334 62.334 62.715 -0.381 25447 2551 1 7 . 1 1 5 5 SER H H 5 8.736 8.736 8.418 0.318 25447 2552 1 7 . 1 1 6 6 VAL N N 6 122.866 122.866 122.916 -0.050 25447 2553 1 7 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.821 0.284 25447 2554 1 7 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.036 -0.304 25447 2555 1 7 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.346 1.391 25447 2556 1 7 . 1 1 6 6 VAL H H 6 7.660 7.660 8.019 -0.359 25447 2557 1 7 . 1 1 7 7 ILE N N 7 121.715 121.715 120.524 1.191 25447 2558 1 7 . 1 1 7 7 ILE HA H 7 4.224 4.224 3.943 0.281 25447 2559 1 7 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.968 -0.639 25447 2560 1 7 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.502 1.191 25447 2561 1 7 . 1 1 7 7 ILE H H 7 8.519 8.519 7.997 0.522 25447 2562 1 7 . 1 1 8 8 ALA N N 8 121.373 121.373 121.225 0.148 25447 2563 1 7 . 1 1 8 8 ALA HA H 8 3.895 3.895 3.938 -0.043 25447 2564 1 7 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.293 0.964 25447 2565 1 7 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.029 0.611 25447 2566 1 7 . 1 1 8 8 ALA H H 8 8.940 8.940 7.892 1.048 25447 2567 1 7 . 1 1 9 9 GLN N N 9 115.076 115.076 119.460 -4.384 25447 2568 1 7 . 1 1 9 9 GLN HA H 9 3.870 3.870 4.097 -0.227 25447 2569 1 7 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.818 0.374 25447 2570 1 7 . 1 1 9 9 GLN CB C 9 28.138 28.138 29.030 -0.892 25447 2571 1 7 . 1 1 9 9 GLN H H 9 7.729 7.729 8.126 -0.397 25447 2572 1 7 . 1 1 10 10 PHE N N 10 120.207 120.207 120.061 0.146 25447 2573 1 7 . 1 1 10 10 PHE HA H 10 4.085 4.085 4.344 -0.259 25447 2574 1 7 . 1 1 10 10 PHE CA C 10 60.893 60.893 59.674 1.219 25447 2575 1 7 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.709 0.223 25447 2576 1 7 . 1 1 10 10 PHE H H 10 7.301 7.301 8.606 -1.305 25447 2577 1 7 . 1 1 11 11 VAL N N 11 117.569 117.569 119.921 -2.352 25447 2578 1 7 . 1 1 11 11 VAL HA H 11 3.307 3.307 2.454 0.853 25447 2579 1 7 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.822 0.686 25447 2580 1 7 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.312 0.174 25447 2581 1 7 . 1 1 11 11 VAL H H 11 8.370 8.370 7.921 0.449 25447 2582 1 7 . 1 1 12 12 VAL N N 12 117.909 117.909 119.495 -1.586 25447 2583 1 7 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.536 0.205 25447 2584 1 7 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.924 -1.048 25447 2585 1 7 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.486 -0.174 25447 2586 1 7 . 1 1 12 12 VAL H H 12 8.294 8.294 7.683 0.611 25447 2587 1 7 . 1 1 13 13 GLU N N 13 117.918 117.918 119.610 -1.692 25447 2588 1 7 . 1 1 13 13 GLU HA H 13 3.742 3.742 4.004 -0.262 25447 2589 1 7 . 1 1 13 13 GLU CA C 13 59.307 59.307 59.191 0.116 25447 2590 1 7 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.390 0.099 25447 2591 1 7 . 1 1 13 13 GLU H H 13 7.750 7.750 7.657 0.093 25447 2592 1 7 . 1 1 14 14 GLU N N 14 113.478 113.478 118.418 -4.940 25447 2593 1 7 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.092 -0.314 25447 2594 1 7 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.574 -1.774 25447 2595 1 7 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.034 -0.391 25447 2596 1 7 . 1 1 14 14 GLU H H 14 7.603 7.603 7.690 -0.087 25447 2597 1 7 . 1 1 15 15 PHE N N 15 114.193 114.193 118.180 -3.987 25447 2598 1 7 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.405 0.534 25447 2599 1 7 . 1 1 15 15 PHE CA C 15 58.095 58.095 60.385 -2.290 25447 2600 1 7 . 1 1 15 15 PHE CB C 15 42.095 42.095 40.795 1.300 25447 2601 1 7 . 1 1 15 15 PHE H H 15 7.908 7.908 7.893 0.015 25447 2602 1 7 . 1 1 16 16 LEU N N 16 121.492 121.492 120.511 0.981 25447 2603 1 7 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.727 0.240 25447 2604 1 7 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.046 0.331 25447 2605 1 7 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.128 1.605 25447 2606 1 7 . 1 1 16 16 LEU H H 16 8.015 8.015 8.362 -0.347 25447 2607 1 7 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.387 -0.004 25447 2608 1 7 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.427 0.431 25447 2609 1 7 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.735 0.094 25447 2610 1 7 . 1 1 18 18 ASP N N 18 116.508 116.508 118.459 -1.951 25447 2611 1 7 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.658 -0.090 25447 2612 1 7 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.572 1.115 25447 2613 1 7 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.915 -0.289 25447 2614 1 7 . 1 1 18 18 ASP H H 18 8.399 8.399 8.560 -0.161 25447 2615 1 7 . 1 1 19 19 VAL N N 19 122.135 122.135 120.898 1.237 25447 2616 1 7 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.148 -0.030 25447 2617 1 7 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.819 0.474 25447 2618 1 7 . 1 1 19 19 VAL CB C 19 33.582 33.582 34.150 -0.568 25447 2619 1 7 . 1 1 19 19 VAL H H 19 7.760 7.760 7.290 0.470 25447 2620 1 7 . 1 1 20 20 ALA N N 20 129.301 129.301 130.379 -1.078 25447 2621 1 7 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.613 -0.014 25447 2622 1 7 . 1 1 20 20 ALA CA C 20 50.270 50.270 49.832 0.438 25447 2623 1 7 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.404 -0.976 25447 2624 1 7 . 1 1 20 20 ALA H H 20 8.761 8.761 8.446 0.315 25447 2625 1 7 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.161 -0.084 25447 2626 1 7 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.555 0.648 25447 2627 1 7 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.818 -0.410 25447 2628 1 7 . 1 1 22 22 ALA N N 22 116.106 116.106 118.451 -2.345 25447 2629 1 7 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.154 -0.037 25447 2630 1 7 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.066 -0.070 25447 2631 1 7 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.411 0.433 25447 2632 1 7 . 1 1 22 22 ALA H H 22 8.064 8.064 8.005 0.059 25447 2633 1 7 . 1 1 23 23 ASP N N 23 115.541 115.541 115.796 -0.255 25447 2634 1 7 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.605 0.072 25447 2635 1 7 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.850 0.486 25447 2636 1 7 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.691 0.663 25447 2637 1 7 . 1 1 23 23 ASP H H 23 8.003 8.003 8.084 -0.081 25447 2638 1 7 . 1 1 24 24 VAL N N 24 121.517 121.517 121.076 0.441 25447 2639 1 7 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.177 -0.356 25447 2640 1 7 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.060 1.285 25447 2641 1 7 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.890 -1.157 25447 2642 1 7 . 1 1 24 24 VAL H H 24 7.069 7.069 7.546 -0.477 25447 2643 1 7 . 1 1 25 25 ASP N N 25 129.329 129.329 126.913 2.416 25447 2644 1 7 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.710 -0.136 25447 2645 1 7 . 1 1 25 25 ASP CA C 25 54.566 54.566 52.910 1.656 25447 2646 1 7 . 1 1 25 25 ASP CB C 25 42.333 42.333 42.364 -0.031 25447 2647 1 7 . 1 1 25 25 ASP H H 25 8.474 8.474 8.659 -0.185 25447 2648 1 7 . 1 1 26 26 VAL N N 26 121.920 121.920 126.211 -4.291 25447 2649 1 7 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.918 0.190 25447 2650 1 7 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.196 1.323 25447 2651 1 7 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.856 -0.658 25447 2652 1 7 . 1 1 26 26 VAL H H 26 8.591 8.591 8.737 -0.146 25447 2653 1 7 . 1 1 27 27 ASP N N 27 116.286 116.286 118.314 -2.028 25447 2654 1 7 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.721 0.424 25447 2655 1 7 . 1 1 27 27 ASP CA C 27 54.181 54.181 53.677 0.504 25447 2656 1 7 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.436 1.139 25447 2657 1 7 . 1 1 27 27 ASP H H 27 8.609 8.609 7.790 0.819 25447 2658 1 7 . 1 1 28 28 LEU N N 28 125.116 125.116 122.739 2.377 25447 2659 1 7 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.513 -0.502 25447 2660 1 7 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.069 2.018 25447 2661 1 7 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.222 -0.901 25447 2662 1 7 . 1 1 28 28 LEU H H 28 7.374 7.374 7.704 -0.330 25447 2663 1 7 . 1 1 29 29 ASP N N 29 125.924 125.924 124.781 1.143 25447 2664 1 7 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.632 0.202 25447 2665 1 7 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.719 -0.799 25447 2666 1 7 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.288 0.092 25447 2667 1 7 . 1 1 29 29 ASP H H 29 8.699 8.699 8.559 0.140 25447 2668 1 7 . 1 1 30 30 LEU N N 30 129.975 129.975 123.606 6.369 25447 2669 1 7 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.031 -0.114 25447 2670 1 7 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.459 -1.071 25447 2671 1 7 . 1 1 30 30 LEU CB C 30 42.239 42.239 41.993 0.246 25447 2672 1 7 . 1 1 30 30 LEU H H 30 9.718 9.718 9.123 0.595 25447 2673 1 7 . 1 1 31 31 VAL N N 31 121.212 121.212 115.963 5.249 25447 2674 1 7 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.564 0.629 25447 2675 1 7 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.245 -1.812 25447 2676 1 7 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.162 1.013 25447 2677 1 7 . 1 1 31 31 VAL H H 31 8.163 8.163 7.206 0.957 25447 2678 1 7 . 1 1 32 32 ASP N N 32 124.893 124.893 119.102 5.791 25447 2679 1 7 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.382 -0.024 25447 2680 1 7 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.424 0.801 25447 2681 1 7 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.170 0.565 25447 2682 1 7 . 1 1 32 32 ASP H H 32 9.385 9.385 8.522 0.863 25447 2683 1 7 . 1 1 33 33 ASN N N 33 111.484 111.484 116.280 -4.796 25447 2684 1 7 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.598 0.122 25447 2685 1 7 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.770 0.116 25447 2686 1 7 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.176 -0.170 25447 2687 1 7 . 1 1 33 33 ASN H H 33 7.396 7.396 7.471 -0.075 25447 2688 1 7 . 1 1 34 34 GLY N N 34 106.957 106.957 106.681 0.276 25447 2689 1 7 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.583 1.024 25447 2690 1 7 . 1 1 34 34 GLY H H 34 7.618 7.618 8.210 -0.592 25447 2691 1 7 . 1 1 35 35 VAL N N 35 120.424 120.424 119.005 1.419 25447 2692 1 7 . 1 1 35 35 VAL HA H 35 3.766 3.766 2.894 0.872 25447 2693 1 7 . 1 1 35 35 VAL CA C 35 65.125 65.125 65.230 -0.105 25447 2694 1 7 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.505 0.374 25447 2695 1 7 . 1 1 35 35 VAL H H 35 7.792 7.792 7.289 0.503 25447 2696 1 7 . 1 1 36 36 ILE N N 36 116.364 116.364 119.117 -2.753 25447 2697 1 7 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.863 -0.126 25447 2698 1 7 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.813 -1.128 25447 2699 1 7 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.836 0.971 25447 2700 1 7 . 1 1 36 36 ILE H H 36 7.331 7.331 7.365 -0.034 25447 2701 1 7 . 1 1 37 37 ASP N N 37 127.306 127.306 126.102 1.204 25447 2702 1 7 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.672 -0.008 25447 2703 1 7 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.907 -1.291 25447 2704 1 7 . 1 1 37 37 ASP CB C 37 41.209 41.209 43.874 -2.665 25447 2705 1 7 . 1 1 37 37 ASP H H 37 7.874 7.874 8.018 -0.144 25447 2706 1 7 . 1 1 38 38 ALA N N 38 120.352 120.352 122.963 -2.611 25447 2707 1 7 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.140 -0.145 25447 2708 1 7 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.461 0.831 25447 2709 1 7 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.507 -0.195 25447 2710 1 7 . 1 1 38 38 ALA H H 38 8.244 8.244 8.388 -0.144 25447 2711 1 7 . 1 1 39 39 LEU N N 39 117.438 117.438 119.264 -1.826 25447 2712 1 7 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.260 -0.010 25447 2713 1 7 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.520 -0.165 25447 2714 1 7 . 1 1 39 39 LEU CB C 39 41.236 41.236 40.989 0.247 25447 2715 1 7 . 1 1 39 39 LEU H H 39 7.688 7.688 8.376 -0.688 25447 2716 1 7 . 1 1 40 40 GLY N N 40 112.015 112.015 107.436 4.579 25447 2717 1 7 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.203 0.896 25447 2718 1 7 . 1 1 40 40 GLY H H 40 8.732 8.732 8.286 0.446 25447 2719 1 7 . 1 1 41 41 LEU N N 41 122.983 122.983 122.907 0.076 25447 2720 1 7 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.880 -0.029 25447 2721 1 7 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.539 0.793 25447 2722 1 7 . 1 1 41 41 LEU CB C 41 41.639 41.639 42.026 -0.387 25447 2723 1 7 . 1 1 41 41 LEU H H 41 8.548 8.548 8.433 0.115 25447 2724 1 7 . 1 1 42 42 LEU N N 42 116.076 116.076 119.819 -3.743 25447 2725 1 7 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.915 0.113 25447 2726 1 7 . 1 1 42 42 LEU CA C 42 58.064 58.064 57.994 0.070 25447 2727 1 7 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.482 -0.542 25447 2728 1 7 . 1 1 42 42 LEU H H 42 7.168 7.168 7.704 -0.536 25447 2729 1 7 . 1 1 43 43 LYS N N 43 119.831 119.831 119.065 0.766 25447 2730 1 7 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.066 0.218 25447 2731 1 7 . 1 1 43 43 LYS CA C 43 59.644 59.644 60.097 -0.453 25447 2732 1 7 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.407 0.120 25447 2733 1 7 . 1 1 43 43 LYS H H 43 7.640 7.640 8.207 -0.567 25447 2734 1 7 . 1 1 44 44 VAL N N 44 121.046 121.046 120.561 0.485 25447 2735 1 7 . 1 1 44 44 VAL HA H 44 3.949 3.949 3.793 0.156 25447 2736 1 7 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.717 -0.074 25447 2737 1 7 . 1 1 44 44 VAL H H 44 8.269 8.269 7.741 0.528 25447 2738 1 7 . 1 1 45 45 ILE N N 45 119.333 119.333 119.236 0.097 25447 2739 1 7 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.658 -0.254 25447 2740 1 7 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.553 1.595 25447 2741 1 7 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.385 0.892 25447 2742 1 7 . 1 1 45 45 ILE H H 45 8.145 8.145 7.584 0.561 25447 2743 1 7 . 1 1 46 46 ALA N N 46 121.213 121.213 123.187 -1.974 25447 2744 1 7 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.498 -0.241 25447 2745 1 7 . 1 1 46 46 ALA CA C 46 55.164 55.164 54.813 0.351 25447 2746 1 7 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.666 -0.298 25447 2747 1 7 . 1 1 46 46 ALA H H 46 7.792 7.792 8.125 -0.333 25447 2748 1 7 . 1 1 47 47 TRP N N 47 121.416 121.416 120.209 1.207 25447 2749 1 7 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.560 -0.326 25447 2750 1 7 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.712 1.958 25447 2751 1 7 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.532 -1.293 25447 2752 1 7 . 1 1 47 47 TRP H H 47 8.093 8.093 8.257 -0.164 25447 2753 1 7 . 1 1 48 48 LEU N N 48 118.963 118.963 121.386 -2.423 25447 2754 1 7 . 1 1 48 48 LEU HA H 48 3.586 3.586 3.180 0.406 25447 2755 1 7 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.964 0.231 25447 2756 1 7 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.453 0.798 25447 2757 1 7 . 1 1 48 48 LEU H H 48 8.693 8.693 7.471 1.222 25447 2758 1 7 . 1 1 49 49 GLU N N 49 119.131 119.131 117.160 1.971 25447 2759 1 7 . 1 1 49 49 GLU HA H 49 4.050 4.050 4.006 0.044 25447 2760 1 7 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.106 0.756 25447 2761 1 7 . 1 1 49 49 GLU CB C 49 29.586 29.586 29.002 0.584 25447 2762 1 7 . 1 1 49 49 GLU H H 49 7.771 7.771 7.780 -0.009 25447 2763 1 7 . 1 1 50 50 ASP N N 50 119.941 119.941 121.345 -1.404 25447 2764 1 7 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.472 -0.235 25447 2765 1 7 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.408 0.947 25447 2766 1 7 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.826 1.557 25447 2767 1 7 . 1 1 50 50 ASP H H 50 7.697 7.697 7.782 -0.085 25447 2768 1 7 . 1 1 51 51 ARG N N 51 116.911 116.911 117.875 -0.964 25447 2769 1 7 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.091 -0.355 25447 2770 1 7 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.467 -2.103 25447 2771 1 7 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.509 -1.194 25447 2772 1 7 . 1 1 51 51 ARG H H 51 8.881 8.881 7.894 0.987 25447 2773 1 7 . 1 1 52 52 PHE N N 52 112.328 112.328 116.549 -4.221 25447 2774 1 7 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.682 -0.007 25447 2775 1 7 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.934 -0.521 25447 2776 1 7 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.361 1.531 25447 2777 1 7 . 1 1 52 52 PHE H H 52 7.284 7.284 7.717 -0.433 25447 2778 1 7 . 1 1 53 53 GLY N N 53 109.826 109.826 108.975 0.851 25447 2779 1 7 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.700 1.101 25447 2780 1 7 . 1 1 53 53 GLY H H 53 7.427 7.427 8.005 -0.578 25447 2781 1 7 . 1 1 54 54 ILE N N 54 119.127 119.127 114.756 4.371 25447 2782 1 7 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.543 -0.592 25447 2783 1 7 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.264 1.421 25447 2784 1 7 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.692 -0.202 25447 2785 1 7 . 1 1 54 54 ILE H H 54 6.876 6.876 7.545 -0.669 25447 2786 1 7 . 1 1 55 55 ALA N N 55 129.823 129.823 123.513 6.310 25447 2787 1 7 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.631 -0.217 25447 2788 1 7 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.579 1.031 25447 2789 1 7 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.086 -0.824 25447 2790 1 7 . 1 1 55 55 ALA H H 55 8.499 8.499 8.474 0.025 25447 2791 1 7 . 1 1 56 56 ALA N N 56 126.300 126.300 126.362 -0.062 25447 2792 1 7 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.080 0.189 25447 2793 1 7 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.798 -1.325 25447 2794 1 7 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.791 0.453 25447 2795 1 7 . 1 1 56 56 ALA H H 56 8.641 8.641 8.593 0.048 25447 2796 1 7 . 1 1 57 57 ASP N N 57 116.395 116.395 117.334 -0.939 25447 2797 1 7 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.358 0.121 25447 2798 1 7 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.329 -1.103 25447 2799 1 7 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.600 0.322 25447 2800 1 7 . 1 1 57 57 ASP H H 57 8.337 8.337 8.418 -0.081 25447 2801 1 7 . 1 1 58 58 ASP N N 58 118.557 118.557 118.789 -0.232 25447 2802 1 7 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.446 0.190 25447 2803 1 7 . 1 1 58 58 ASP CA C 58 55.144 55.144 56.089 -0.945 25447 2804 1 7 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.308 0.196 25447 2805 1 7 . 1 1 58 58 ASP H H 58 8.027 8.027 7.931 0.096 25447 2806 1 7 . 1 1 59 59 VAL N N 59 118.898 118.898 118.742 0.156 25447 2807 1 7 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.218 -0.042 25447 2808 1 7 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.032 1.268 25447 2809 1 7 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.901 -1.823 25447 2810 1 7 . 1 1 59 59 VAL H H 59 7.716 7.716 7.482 0.234 25447 2811 1 7 . 1 1 60 60 GLU N N 60 122.888 122.888 125.132 -2.244 25447 2812 1 7 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.354 -0.070 25447 2813 1 7 . 1 1 60 60 GLU CA C 60 56.546 56.546 56.503 0.043 25447 2814 1 7 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.211 -0.429 25447 2815 1 7 . 1 1 60 60 GLU H H 60 8.367 8.367 8.412 -0.045 25447 2816 1 7 . 1 1 61 61 LEU N N 61 124.827 124.827 124.908 -0.081 25447 2817 1 7 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.599 -0.241 25447 2818 1 7 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.391 0.425 25447 2819 1 7 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.651 -1.714 25447 2820 1 7 . 1 1 61 61 LEU H H 61 8.198 8.198 8.463 -0.265 25447 2821 1 7 . 1 1 62 62 SER N N 62 118.715 118.715 118.664 0.051 25447 2822 1 7 . 1 1 62 62 SER HA H 62 4.809 4.809 5.010 -0.201 25447 2823 1 7 . 1 1 62 62 SER CA C 62 55.732 55.732 54.823 0.909 25447 2824 1 7 . 1 1 62 62 SER CB C 62 64.017 64.017 64.969 -0.952 25447 2825 1 7 . 1 1 62 62 SER H H 62 8.137 8.137 8.270 -0.133 25447 2826 1 7 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.279 -0.026 25447 2827 1 7 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.056 -0.160 25447 2828 1 7 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.858 0.194 25447 2829 1 7 . 1 1 64 64 GLU N N 64 116.554 116.554 119.133 -2.579 25447 2830 1 7 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.089 -0.216 25447 2831 1 7 . 1 1 64 64 GLU CA C 64 58.719 58.719 59.044 -0.325 25447 2832 1 7 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.121 -0.440 25447 2833 1 7 . 1 1 64 64 GLU H H 64 8.316 8.316 8.384 -0.068 25447 2834 1 7 . 1 1 65 65 HIS N N 65 115.487 115.487 119.612 -4.125 25447 2835 1 7 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.262 0.018 25447 2836 1 7 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.514 -0.862 25447 2837 1 7 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.583 0.299 25447 2838 1 7 . 1 1 65 65 HIS H H 65 7.274 7.274 7.919 -0.645 25447 2839 1 7 . 1 1 66 66 PHE N N 66 116.127 116.127 116.524 -0.397 25447 2840 1 7 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.267 0.499 25447 2841 1 7 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.545 -1.763 25447 2842 1 7 . 1 1 66 66 PHE CB C 66 38.908 38.908 38.101 0.807 25447 2843 1 7 . 1 1 66 66 PHE H H 66 7.239 7.239 7.552 -0.313 25447 2844 1 7 . 1 1 67 67 ARG N N 67 112.468 112.468 119.014 -6.546 25447 2845 1 7 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.958 0.127 25447 2846 1 7 . 1 1 67 67 ARG CA C 67 58.287 58.287 58.497 -0.210 25447 2847 1 7 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.401 1.359 25447 2848 1 7 . 1 1 67 67 ARG H H 67 6.628 6.628 7.725 -1.097 25447 2849 1 7 . 1 1 68 68 SER N N 68 109.305 109.305 112.048 -2.743 25447 2850 1 7 . 1 1 68 68 SER HA H 68 4.980 4.980 4.865 0.115 25447 2851 1 7 . 1 1 68 68 SER CA C 68 55.785 55.785 55.960 -0.175 25447 2852 1 7 . 1 1 68 68 SER CB C 68 67.691 67.691 65.365 2.326 25447 2853 1 7 . 1 1 68 68 SER H H 68 8.145 8.145 7.349 0.796 25447 2854 1 7 . 1 1 69 69 ILE N N 69 122.602 122.602 125.438 -2.836 25447 2855 1 7 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.725 -0.049 25447 2856 1 7 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.033 1.721 25447 2857 1 7 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.575 -0.279 25447 2858 1 7 . 1 1 69 69 ILE H H 69 9.775 9.775 8.932 0.843 25447 2859 1 7 . 1 1 70 70 ARG N N 70 118.764 118.764 119.242 -0.478 25447 2860 1 7 . 1 1 70 70 ARG HA H 70 3.955 3.955 4.215 -0.260 25447 2861 1 7 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.333 1.200 25447 2862 1 7 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.375 1.043 25447 2863 1 7 . 1 1 70 70 ARG H H 70 8.910 8.910 7.747 1.163 25447 2864 1 7 . 1 1 71 71 SER N N 71 117.670 117.670 115.208 2.462 25447 2865 1 7 . 1 1 71 71 SER HA H 71 4.330 4.330 4.252 0.078 25447 2866 1 7 . 1 1 71 71 SER CA C 71 62.287 62.287 61.525 0.762 25447 2867 1 7 . 1 1 71 71 SER CB C 71 63.278 63.278 62.584 0.694 25447 2868 1 7 . 1 1 71 71 SER H H 71 8.518 8.518 7.570 0.948 25447 2869 1 7 . 1 1 72 72 ILE N N 72 127.447 127.447 123.556 3.891 25447 2870 1 7 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.922 -0.012 25447 2871 1 7 . 1 1 72 72 ILE CA C 72 66.811 66.811 64.462 2.349 25447 2872 1 7 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.800 0.598 25447 2873 1 7 . 1 1 72 72 ILE H H 72 8.762 8.762 7.147 1.615 25447 2874 1 7 . 1 1 73 73 ASP N N 73 121.636 121.636 120.122 1.514 25447 2875 1 7 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.395 -0.382 25447 2876 1 7 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.471 1.677 25447 2877 1 7 . 1 1 73 73 ASP CB C 73 43.540 43.540 39.938 3.602 25447 2878 1 7 . 1 1 73 73 ASP H H 73 8.677 8.677 8.052 0.625 25447 2879 1 7 . 1 1 74 74 ALA N N 74 118.793 118.793 122.061 -3.268 25447 2880 1 7 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.069 -0.025 25447 2881 1 7 . 1 1 74 74 ALA CA C 74 55.321 55.321 54.826 0.495 25447 2882 1 7 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.326 -0.381 25447 2883 1 7 . 1 1 74 74 ALA H H 74 8.005 8.005 7.799 0.206 25447 2884 1 7 . 1 1 75 75 PHE N N 75 121.235 121.235 119.343 1.892 25447 2885 1 7 . 1 1 75 75 PHE HA H 75 4.038 4.038 3.920 0.118 25447 2886 1 7 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.737 -0.722 25447 2887 1 7 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.223 -0.386 25447 2888 1 7 . 1 1 75 75 PHE H H 75 8.353 8.353 8.491 -0.138 25447 2889 1 7 . 1 1 76 76 VAL N N 76 120.866 120.866 118.908 1.958 25447 2890 1 7 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.361 -0.418 25447 2891 1 7 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.756 0.145 25447 2892 1 7 . 1 1 76 76 VAL CB C 76 31.247 31.247 30.971 0.276 25447 2893 1 7 . 1 1 76 76 VAL H H 76 8.544 8.544 8.483 0.061 25447 2894 1 7 . 1 1 77 77 VAL N N 77 121.408 121.408 119.273 2.135 25447 2895 1 7 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.787 -0.292 25447 2896 1 7 . 1 1 77 77 VAL CA C 77 66.833 66.833 64.983 1.850 25447 2897 1 7 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.001 0.929 25447 2898 1 7 . 1 1 77 77 VAL H H 77 8.708 8.708 8.278 0.430 25447 2899 1 7 . 1 1 78 78 GLY N N 78 106.402 106.402 106.914 -0.512 25447 2900 1 7 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.451 0.389 25447 2901 1 7 . 1 1 78 78 GLY H H 78 7.945 7.945 8.478 -0.533 25447 2902 1 7 . 1 1 79 79 ALA N N 79 121.146 121.146 122.195 -1.049 25447 2903 1 7 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.863 0.344 25447 2904 1 7 . 1 1 79 79 ALA CA C 79 52.929 52.929 53.881 -0.952 25447 2905 1 7 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.388 0.873 25447 2906 1 7 . 1 1 79 79 ALA H H 79 7.639 7.639 7.597 0.042 25447 2907 1 7 . 1 1 80 80 THR N N 80 107.668 107.668 108.889 -1.221 25447 2908 1 7 . 1 1 80 80 THR HA H 80 4.443 4.443 4.271 0.172 25447 2909 1 7 . 1 1 80 80 THR CA C 80 61.406 61.406 62.885 -1.479 25447 2910 1 7 . 1 1 80 80 THR CB C 80 70.767 70.767 69.566 1.201 25447 2911 1 7 . 1 1 80 80 THR H H 80 7.449 7.449 7.736 -0.287 25447 2912 1 7 . 1 1 81 81 THR N N 81 119.953 119.953 115.922 4.031 25447 2913 1 7 . 1 1 81 81 THR HA H 81 4.665 4.665 4.745 -0.080 25447 2914 1 7 . 1 1 81 81 THR CA C 81 60.412 60.412 59.023 1.389 25447 2915 1 7 . 1 1 81 81 THR CB C 81 70.113 70.113 69.237 0.876 25447 2916 1 7 . 1 1 81 81 THR H H 81 7.685 7.685 7.495 0.190 25447 2917 1 7 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.436 0.253 25447 2918 1 7 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.628 -0.940 25447 2919 1 7 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.630 0.339 25447 2920 1 7 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.274 0.207 25447 2921 1 7 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.784 0.147 25447 2922 1 7 . 1 1 83 83 PRO CB C 83 32.193 32.193 31.982 0.211 25447 2923 1 7 . 1 1 84 84 VAL N N 84 120.691 120.691 118.205 2.486 25447 2924 1 7 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.277 -0.184 25447 2925 1 7 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.161 1.178 25447 2926 1 7 . 1 1 84 84 VAL CB C 84 32.851 32.851 33.054 -0.203 25447 2927 1 7 . 1 1 84 84 VAL H H 84 8.257 8.257 8.155 0.102 25447 2928 1 7 . 1 1 85 85 GLU N N 85 127.655 127.655 121.484 6.171 25447 2929 1 7 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.874 0.410 25447 2930 1 7 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.398 0.356 25447 2931 1 7 . 1 1 85 85 GLU CB C 85 30.559 30.559 27.793 2.766 25447 2932 1 7 . 1 1 85 85 GLU H H 85 8.202 8.202 8.761 -0.559 25447 2933 1 7 . 1 1 86 86 ALA N N 86 126.437 126.437 121.123 5.314 25447 2934 1 7 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.203 -0.152 25447 2935 1 7 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.278 -0.130 25447 2936 1 7 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.753 -0.293 25447 2937 1 7 . 1 1 86 86 ALA H H 86 8.323 8.323 8.040 0.283 25447 2938 1 7 . 1 1 87 87 LYS N N 87 121.796 121.796 120.065 1.731 25447 2939 1 7 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.083 0.264 25447 2940 1 7 . 1 1 87 87 LYS CA C 87 56.297 56.297 57.853 -1.556 25447 2941 1 7 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.580 0.696 25447 2942 1 7 . 1 1 87 87 LYS H H 87 8.333 8.333 8.478 -0.145 25447 2943 1 7 . 1 1 88 88 LEU N N 88 125.576 125.576 120.703 4.873 25447 2944 1 7 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.469 -0.562 25447 2945 1 7 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.017 1.755 25447 2946 1 7 . 1 1 88 88 LEU CB C 88 42.472 42.472 41.807 0.665 25447 2947 1 7 . 1 1 88 88 LEU H H 88 8.444 8.444 7.594 0.850 25447 2948 1 8 . 1 1 1 1 MET N N 1 120.668 120.668 116.934 3.734 25447 2949 1 8 . 1 1 1 1 MET HA H 1 4.484 4.484 4.618 -0.134 25447 2950 1 8 . 1 1 1 1 MET CA C 1 55.257 55.257 54.503 0.754 25447 2951 1 8 . 1 1 1 1 MET CB C 1 34.517 34.517 33.070 1.447 25447 2952 1 8 . 1 1 1 1 MET H H 1 8.313 8.313 7.567 0.746 25447 2953 1 8 . 1 1 2 2 GLN N N 2 123.739 123.739 119.511 4.228 25447 2954 1 8 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.265 -0.235 25447 2955 1 8 . 1 1 2 2 GLN CA C 2 57.874 57.874 54.758 3.116 25447 2956 1 8 . 1 1 2 2 GLN CB C 2 29.938 29.938 29.640 0.298 25447 2957 1 8 . 1 1 2 2 GLN H H 2 9.455 9.455 8.697 0.758 25447 2958 1 8 . 1 1 3 3 HIS N N 3 119.115 119.115 120.803 -1.688 25447 2959 1 8 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.178 0.938 25447 2960 1 8 . 1 1 3 3 HIS CA C 3 55.494 55.494 57.305 -1.811 25447 2961 1 8 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.269 3.746 25447 2962 1 8 . 1 1 3 3 HIS H H 3 9.783 9.783 8.760 1.023 25447 2963 1 8 . 1 1 4 4 ALA N N 4 122.648 122.648 120.291 2.357 25447 2964 1 8 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.054 -0.151 25447 2965 1 8 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.316 1.163 25447 2966 1 8 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.783 0.411 25447 2967 1 8 . 1 1 4 4 ALA H H 4 7.551 7.551 8.390 -0.839 25447 2968 1 8 . 1 1 5 5 SER N N 5 112.599 112.599 112.611 -0.012 25447 2969 1 8 . 1 1 5 5 SER HA H 5 4.298 4.298 4.210 0.088 25447 2970 1 8 . 1 1 5 5 SER CA C 5 62.117 62.117 61.350 0.767 25447 2971 1 8 . 1 1 5 5 SER CB C 5 62.334 62.334 62.499 -0.165 25447 2972 1 8 . 1 1 5 5 SER H H 5 8.736 8.736 8.224 0.512 25447 2973 1 8 . 1 1 6 6 VAL N N 6 122.866 122.866 122.714 0.152 25447 2974 1 8 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.795 0.310 25447 2975 1 8 . 1 1 6 6 VAL CA C 6 65.732 65.732 65.447 0.285 25447 2976 1 8 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.462 1.275 25447 2977 1 8 . 1 1 6 6 VAL H H 6 7.660 7.660 7.608 0.052 25447 2978 1 8 . 1 1 7 7 ILE N N 7 121.715 121.715 120.003 1.712 25447 2979 1 8 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.152 0.072 25447 2980 1 8 . 1 1 7 7 ILE CA C 7 65.329 65.329 66.011 -0.682 25447 2981 1 8 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.459 1.234 25447 2982 1 8 . 1 1 7 7 ILE H H 7 8.519 8.519 7.586 0.933 25447 2983 1 8 . 1 1 8 8 ALA N N 8 121.373 121.373 121.746 -0.373 25447 2984 1 8 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.019 -0.124 25447 2985 1 8 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.417 0.840 25447 2986 1 8 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.056 0.584 25447 2987 1 8 . 1 1 8 8 ALA H H 8 8.940 8.940 7.854 1.086 25447 2988 1 8 . 1 1 9 9 GLN N N 9 115.076 115.076 118.565 -3.489 25447 2989 1 8 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.904 -0.034 25447 2990 1 8 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.945 0.247 25447 2991 1 8 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.623 -0.485 25447 2992 1 8 . 1 1 9 9 GLN H H 9 7.729 7.729 7.839 -0.110 25447 2993 1 8 . 1 1 10 10 PHE N N 10 120.207 120.207 119.336 0.871 25447 2994 1 8 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.834 0.251 25447 2995 1 8 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.720 -0.827 25447 2996 1 8 . 1 1 10 10 PHE CB C 10 38.932 38.932 37.916 1.016 25447 2997 1 8 . 1 1 10 10 PHE H H 10 7.301 7.301 7.839 -0.538 25447 2998 1 8 . 1 1 11 11 VAL N N 11 117.569 117.569 117.493 0.076 25447 2999 1 8 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.948 -0.641 25447 3000 1 8 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.970 0.538 25447 3001 1 8 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.522 -0.035 25447 3002 1 8 . 1 1 11 11 VAL H H 11 8.370 8.370 7.874 0.496 25447 3003 1 8 . 1 1 12 12 VAL N N 12 117.909 117.909 121.376 -3.467 25447 3004 1 8 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.581 0.160 25447 3005 1 8 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.777 -0.901 25447 3006 1 8 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.631 -0.319 25447 3007 1 8 . 1 1 12 12 VAL H H 12 8.294 8.294 8.194 0.100 25447 3008 1 8 . 1 1 13 13 GLU N N 13 117.918 117.918 118.413 -0.495 25447 3009 1 8 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.951 -0.209 25447 3010 1 8 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.508 0.799 25447 3011 1 8 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.177 0.312 25447 3012 1 8 . 1 1 13 13 GLU H H 13 7.750 7.750 8.261 -0.511 25447 3013 1 8 . 1 1 14 14 GLU N N 14 113.478 113.478 118.180 -4.702 25447 3014 1 8 . 1 1 14 14 GLU HA H 14 3.778 3.778 3.850 -0.072 25447 3015 1 8 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.582 -1.782 25447 3016 1 8 . 1 1 14 14 GLU CB C 14 29.643 29.643 29.836 -0.193 25447 3017 1 8 . 1 1 14 14 GLU H H 14 7.603 7.603 7.882 -0.279 25447 3018 1 8 . 1 1 15 15 PHE N N 15 114.193 114.193 113.388 0.805 25447 3019 1 8 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.641 0.298 25447 3020 1 8 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.655 -0.560 25447 3021 1 8 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.005 0.090 25447 3022 1 8 . 1 1 15 15 PHE H H 15 7.908 7.908 7.520 0.388 25447 3023 1 8 . 1 1 16 16 LEU N N 16 121.492 121.492 121.380 0.112 25447 3024 1 8 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.871 0.096 25447 3025 1 8 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.486 -0.109 25447 3026 1 8 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.580 1.153 25447 3027 1 8 . 1 1 16 16 LEU H H 16 8.015 8.015 8.264 -0.249 25447 3028 1 8 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.449 -0.066 25447 3029 1 8 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.950 0.908 25447 3030 1 8 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.896 -0.067 25447 3031 1 8 . 1 1 18 18 ASP N N 18 116.508 116.508 118.391 -1.883 25447 3032 1 8 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.730 -0.162 25447 3033 1 8 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.927 0.761 25447 3034 1 8 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.681 -0.055 25447 3035 1 8 . 1 1 18 18 ASP H H 18 8.399 8.399 8.613 -0.214 25447 3036 1 8 . 1 1 19 19 VAL N N 19 122.135 122.135 120.621 1.514 25447 3037 1 8 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.166 -0.048 25447 3038 1 8 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.464 0.829 25447 3039 1 8 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.424 0.158 25447 3040 1 8 . 1 1 19 19 VAL H H 19 7.760 7.760 7.226 0.534 25447 3041 1 8 . 1 1 20 20 ALA N N 20 129.301 129.301 130.669 -1.368 25447 3042 1 8 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.536 0.063 25447 3043 1 8 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.250 0.020 25447 3044 1 8 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.382 -0.954 25447 3045 1 8 . 1 1 20 20 ALA H H 20 8.761 8.761 8.506 0.255 25447 3046 1 8 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.174 -0.097 25447 3047 1 8 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.477 0.726 25447 3048 1 8 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.802 -0.394 25447 3049 1 8 . 1 1 22 22 ALA N N 22 116.106 116.106 118.293 -2.187 25447 3050 1 8 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.154 -0.037 25447 3051 1 8 . 1 1 22 22 ALA CA C 22 53.996 53.996 53.987 0.009 25447 3052 1 8 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.350 0.494 25447 3053 1 8 . 1 1 22 22 ALA H H 22 8.064 8.064 7.988 0.076 25447 3054 1 8 . 1 1 23 23 ASP N N 23 115.541 115.541 115.758 -0.217 25447 3055 1 8 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.594 0.083 25447 3056 1 8 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.778 0.558 25447 3057 1 8 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.605 0.748 25447 3058 1 8 . 1 1 23 23 ASP H H 23 8.003 8.003 8.101 -0.098 25447 3059 1 8 . 1 1 24 24 VAL N N 24 121.517 121.517 121.298 0.219 25447 3060 1 8 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.187 -0.366 25447 3061 1 8 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.030 1.315 25447 3062 1 8 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.537 -0.804 25447 3063 1 8 . 1 1 24 24 VAL H H 24 7.069 7.069 7.554 -0.485 25447 3064 1 8 . 1 1 25 25 ASP N N 25 129.329 129.329 126.558 2.771 25447 3065 1 8 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.762 -0.188 25447 3066 1 8 . 1 1 25 25 ASP CA C 25 54.566 54.566 52.773 1.793 25447 3067 1 8 . 1 1 25 25 ASP CB C 25 42.333 42.333 42.282 0.051 25447 3068 1 8 . 1 1 25 25 ASP H H 25 8.474 8.474 8.684 -0.210 25447 3069 1 8 . 1 1 26 26 VAL N N 26 121.920 121.920 122.277 -0.357 25447 3070 1 8 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.127 -0.019 25447 3071 1 8 . 1 1 26 26 VAL CA C 26 64.518 64.518 62.853 1.665 25447 3072 1 8 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.059 0.139 25447 3073 1 8 . 1 1 26 26 VAL H H 26 8.591 8.591 8.741 -0.150 25447 3074 1 8 . 1 1 27 27 ASP N N 27 116.286 116.286 119.182 -2.896 25447 3075 1 8 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.662 0.483 25447 3076 1 8 . 1 1 27 27 ASP CA C 27 54.181 54.181 55.166 -0.985 25447 3077 1 8 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.641 0.934 25447 3078 1 8 . 1 1 27 27 ASP H H 27 8.609 8.609 8.220 0.389 25447 3079 1 8 . 1 1 28 28 LEU N N 28 125.116 125.116 122.180 2.936 25447 3080 1 8 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.540 -0.529 25447 3081 1 8 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.380 1.707 25447 3082 1 8 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.899 -0.578 25447 3083 1 8 . 1 1 28 28 LEU H H 28 7.374 7.374 7.348 0.026 25447 3084 1 8 . 1 1 29 29 ASP N N 29 125.924 125.924 124.681 1.243 25447 3085 1 8 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.630 0.204 25447 3086 1 8 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.942 -1.022 25447 3087 1 8 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.244 0.135 25447 3088 1 8 . 1 1 29 29 ASP H H 29 8.699 8.699 8.549 0.150 25447 3089 1 8 . 1 1 30 30 LEU N N 30 129.975 129.975 124.892 5.083 25447 3090 1 8 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.129 -0.212 25447 3091 1 8 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.453 -1.065 25447 3092 1 8 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.432 -0.193 25447 3093 1 8 . 1 1 30 30 LEU H H 30 9.718 9.718 8.252 1.466 25447 3094 1 8 . 1 1 31 31 VAL N N 31 121.212 121.212 117.458 3.754 25447 3095 1 8 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.668 0.525 25447 3096 1 8 . 1 1 31 31 VAL CA C 31 64.433 64.433 65.780 -1.347 25447 3097 1 8 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.142 1.033 25447 3098 1 8 . 1 1 31 31 VAL H H 31 8.163 8.163 7.602 0.561 25447 3099 1 8 . 1 1 32 32 ASP N N 32 124.893 124.893 118.627 6.266 25447 3100 1 8 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.333 0.025 25447 3101 1 8 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.686 0.539 25447 3102 1 8 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.717 0.018 25447 3103 1 8 . 1 1 32 32 ASP H H 32 9.385 9.385 8.703 0.682 25447 3104 1 8 . 1 1 33 33 ASN N N 33 111.484 111.484 116.664 -5.180 25447 3105 1 8 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.574 0.146 25447 3106 1 8 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.628 0.258 25447 3107 1 8 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.038 -0.032 25447 3108 1 8 . 1 1 33 33 ASN H H 33 7.396 7.396 7.676 -0.280 25447 3109 1 8 . 1 1 34 34 GLY N N 34 106.957 106.957 106.095 0.862 25447 3110 1 8 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.698 0.909 25447 3111 1 8 . 1 1 34 34 GLY H H 34 7.618 7.618 7.947 -0.329 25447 3112 1 8 . 1 1 35 35 VAL N N 35 120.424 120.424 118.517 1.907 25447 3113 1 8 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.443 0.323 25447 3114 1 8 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.648 0.477 25447 3115 1 8 . 1 1 35 35 VAL CB C 35 31.879 31.879 32.142 -0.263 25447 3116 1 8 . 1 1 35 35 VAL H H 35 7.792 7.792 7.750 0.042 25447 3117 1 8 . 1 1 36 36 ILE N N 36 116.364 116.364 120.427 -4.063 25447 3118 1 8 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.922 -0.185 25447 3119 1 8 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.666 -0.981 25447 3120 1 8 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.428 1.379 25447 3121 1 8 . 1 1 36 36 ILE H H 36 7.331 7.331 7.774 -0.443 25447 3122 1 8 . 1 1 37 37 ASP N N 37 127.306 127.306 128.059 -0.753 25447 3123 1 8 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.718 -0.054 25447 3124 1 8 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.894 -1.278 25447 3125 1 8 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.521 -1.312 25447 3126 1 8 . 1 1 37 37 ASP H H 37 7.874 7.874 7.884 -0.010 25447 3127 1 8 . 1 1 38 38 ALA N N 38 120.352 120.352 122.951 -2.599 25447 3128 1 8 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.109 -0.114 25447 3129 1 8 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.322 0.970 25447 3130 1 8 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.612 -0.300 25447 3131 1 8 . 1 1 38 38 ALA H H 38 8.244 8.244 8.334 -0.090 25447 3132 1 8 . 1 1 39 39 LEU N N 39 117.438 117.438 118.392 -0.954 25447 3133 1 8 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.206 0.044 25447 3134 1 8 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.062 0.293 25447 3135 1 8 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.195 0.041 25447 3136 1 8 . 1 1 39 39 LEU H H 39 7.688 7.688 8.441 -0.753 25447 3137 1 8 . 1 1 40 40 GLY N N 40 112.015 112.015 107.995 4.020 25447 3138 1 8 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.314 0.785 25447 3139 1 8 . 1 1 40 40 GLY H H 40 8.732 8.732 8.369 0.363 25447 3140 1 8 . 1 1 41 41 LEU N N 41 122.983 122.983 123.371 -0.388 25447 3141 1 8 . 1 1 41 41 LEU HA H 41 3.851 3.851 4.007 -0.156 25447 3142 1 8 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.597 0.735 25447 3143 1 8 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.930 -0.291 25447 3144 1 8 . 1 1 41 41 LEU H H 41 8.548 8.548 8.211 0.337 25447 3145 1 8 . 1 1 42 42 LEU N N 42 116.076 116.076 119.997 -3.921 25447 3146 1 8 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.903 0.125 25447 3147 1 8 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.527 -0.463 25447 3148 1 8 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.826 -0.886 25447 3149 1 8 . 1 1 42 42 LEU H H 42 7.168 7.168 7.647 -0.479 25447 3150 1 8 . 1 1 43 43 LYS N N 43 119.831 119.831 119.114 0.717 25447 3151 1 8 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.041 0.243 25447 3152 1 8 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.898 -0.254 25447 3153 1 8 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.290 0.237 25447 3154 1 8 . 1 1 43 43 LYS H H 43 7.640 7.640 8.340 -0.700 25447 3155 1 8 . 1 1 44 44 VAL N N 44 121.046 121.046 120.177 0.869 25447 3156 1 8 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.045 -0.096 25447 3157 1 8 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.647 -0.004 25447 3158 1 8 . 1 1 44 44 VAL H H 44 8.269 8.269 7.898 0.371 25447 3159 1 8 . 1 1 45 45 ILE N N 45 119.333 119.333 119.896 -0.563 25447 3160 1 8 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.673 -0.269 25447 3161 1 8 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.234 1.914 25447 3162 1 8 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.204 1.073 25447 3163 1 8 . 1 1 45 45 ILE H H 45 8.145 8.145 7.859 0.286 25447 3164 1 8 . 1 1 46 46 ALA N N 46 121.213 121.213 123.614 -2.401 25447 3165 1 8 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.447 -0.190 25447 3166 1 8 . 1 1 46 46 ALA CA C 46 55.164 55.164 54.835 0.329 25447 3167 1 8 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.565 -0.197 25447 3168 1 8 . 1 1 46 46 ALA H H 46 7.792 7.792 8.025 -0.233 25447 3169 1 8 . 1 1 47 47 TRP N N 47 121.416 121.416 120.063 1.353 25447 3170 1 8 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.438 -0.204 25447 3171 1 8 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.507 2.163 25447 3172 1 8 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.335 -1.096 25447 3173 1 8 . 1 1 47 47 TRP H H 47 8.093 8.093 7.962 0.131 25447 3174 1 8 . 1 1 48 48 LEU N N 48 118.963 118.963 121.210 -2.247 25447 3175 1 8 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.797 0.789 25447 3176 1 8 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.684 0.511 25447 3177 1 8 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.209 1.042 25447 3178 1 8 . 1 1 48 48 LEU H H 48 8.693 8.693 7.314 1.379 25447 3179 1 8 . 1 1 49 49 GLU N N 49 119.131 119.131 117.013 2.118 25447 3180 1 8 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.975 0.075 25447 3181 1 8 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.058 0.804 25447 3182 1 8 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.927 0.659 25447 3183 1 8 . 1 1 49 49 GLU H H 49 7.771 7.771 7.641 0.130 25447 3184 1 8 . 1 1 50 50 ASP N N 50 119.941 119.941 120.910 -0.969 25447 3185 1 8 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.419 -0.182 25447 3186 1 8 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.531 0.824 25447 3187 1 8 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.720 1.663 25447 3188 1 8 . 1 1 50 50 ASP H H 50 7.697 7.697 7.613 0.084 25447 3189 1 8 . 1 1 51 51 ARG N N 51 116.911 116.911 117.816 -0.905 25447 3190 1 8 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.032 -0.296 25447 3191 1 8 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.285 -1.921 25447 3192 1 8 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.252 -0.937 25447 3193 1 8 . 1 1 51 51 ARG H H 51 8.881 8.881 7.743 1.138 25447 3194 1 8 . 1 1 52 52 PHE N N 52 112.328 112.328 116.722 -4.394 25447 3195 1 8 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.619 0.056 25447 3196 1 8 . 1 1 52 52 PHE CA C 52 57.413 57.413 58.095 -0.682 25447 3197 1 8 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.460 1.432 25447 3198 1 8 . 1 1 52 52 PHE H H 52 7.284 7.284 7.461 -0.177 25447 3199 1 8 . 1 1 53 53 GLY N N 53 109.826 109.826 108.795 1.031 25447 3200 1 8 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.567 1.234 25447 3201 1 8 . 1 1 53 53 GLY H H 53 7.427 7.427 7.945 -0.518 25447 3202 1 8 . 1 1 54 54 ILE N N 54 119.127 119.127 115.273 3.854 25447 3203 1 8 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.528 -0.577 25447 3204 1 8 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.538 1.147 25447 3205 1 8 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.829 -0.339 25447 3206 1 8 . 1 1 54 54 ILE H H 54 6.876 6.876 7.628 -0.751 25447 3207 1 8 . 1 1 55 55 ALA N N 55 129.823 129.823 123.872 5.951 25447 3208 1 8 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.540 -0.126 25447 3209 1 8 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.665 0.945 25447 3210 1 8 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.078 -0.816 25447 3211 1 8 . 1 1 55 55 ALA H H 55 8.499 8.499 8.098 0.401 25447 3212 1 8 . 1 1 56 56 ALA N N 56 126.300 126.300 126.713 -0.413 25447 3213 1 8 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.058 0.211 25447 3214 1 8 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.572 -1.098 25447 3215 1 8 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.599 0.645 25447 3216 1 8 . 1 1 56 56 ALA H H 56 8.641 8.641 8.805 -0.164 25447 3217 1 8 . 1 1 57 57 ASP N N 57 116.395 116.395 117.663 -1.268 25447 3218 1 8 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.373 0.106 25447 3219 1 8 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.472 -1.246 25447 3220 1 8 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.017 0.905 25447 3221 1 8 . 1 1 57 57 ASP H H 57 8.337 8.337 8.571 -0.234 25447 3222 1 8 . 1 1 58 58 ASP N N 58 118.557 118.557 118.842 -0.285 25447 3223 1 8 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.459 0.177 25447 3224 1 8 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.713 -0.569 25447 3225 1 8 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.630 -0.126 25447 3226 1 8 . 1 1 58 58 ASP H H 58 8.027 8.027 7.954 0.073 25447 3227 1 8 . 1 1 59 59 VAL N N 59 118.898 118.898 118.093 0.805 25447 3228 1 8 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.294 -0.118 25447 3229 1 8 . 1 1 59 59 VAL CA C 59 62.300 62.300 60.823 1.477 25447 3230 1 8 . 1 1 59 59 VAL CB C 59 33.078 33.078 33.841 -0.763 25447 3231 1 8 . 1 1 59 59 VAL H H 59 7.716 7.716 7.541 0.175 25447 3232 1 8 . 1 1 60 60 GLU N N 60 122.888 122.888 126.681 -3.793 25447 3233 1 8 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.455 -0.171 25447 3234 1 8 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.739 0.807 25447 3235 1 8 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.674 -0.892 25447 3236 1 8 . 1 1 60 60 GLU H H 60 8.367 8.367 8.409 -0.043 25447 3237 1 8 . 1 1 61 61 LEU N N 61 124.827 124.827 125.270 -0.443 25447 3238 1 8 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.460 -0.102 25447 3239 1 8 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.207 0.609 25447 3240 1 8 . 1 1 61 61 LEU CB C 61 41.937 41.937 42.861 -0.924 25447 3241 1 8 . 1 1 61 61 LEU H H 61 8.198 8.198 8.451 -0.253 25447 3242 1 8 . 1 1 62 62 SER N N 62 118.715 118.715 119.091 -0.376 25447 3243 1 8 . 1 1 62 62 SER HA H 62 4.809 4.809 4.968 -0.159 25447 3244 1 8 . 1 1 62 62 SER CA C 62 55.732 55.732 55.700 0.032 25447 3245 1 8 . 1 1 62 62 SER CB C 62 64.017 64.017 65.005 -0.988 25447 3246 1 8 . 1 1 62 62 SER H H 62 8.137 8.137 8.242 -0.105 25447 3247 1 8 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.293 -0.041 25447 3248 1 8 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.176 -0.280 25447 3249 1 8 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.859 0.193 25447 3250 1 8 . 1 1 64 64 GLU N N 64 116.554 116.554 118.646 -2.092 25447 3251 1 8 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.152 -0.279 25447 3252 1 8 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.818 -0.099 25447 3253 1 8 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.210 -0.529 25447 3254 1 8 . 1 1 64 64 GLU H H 64 8.316 8.316 8.433 -0.117 25447 3255 1 8 . 1 1 65 65 HIS N N 65 115.487 115.487 120.004 -4.517 25447 3256 1 8 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.237 0.043 25447 3257 1 8 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.149 -0.497 25447 3258 1 8 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.673 0.209 25447 3259 1 8 . 1 1 65 65 HIS H H 65 7.274 7.274 8.386 -1.112 25447 3260 1 8 . 1 1 66 66 PHE N N 66 116.127 116.127 116.396 -0.269 25447 3261 1 8 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.479 0.287 25447 3262 1 8 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.928 -2.146 25447 3263 1 8 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.410 1.498 25447 3264 1 8 . 1 1 66 66 PHE H H 66 7.239 7.239 7.726 -0.487 25447 3265 1 8 . 1 1 67 67 ARG N N 67 112.468 112.468 119.742 -7.274 25447 3266 1 8 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.977 0.108 25447 3267 1 8 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.080 -0.793 25447 3268 1 8 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.363 1.397 25447 3269 1 8 . 1 1 67 67 ARG H H 67 6.628 6.628 7.889 -1.261 25447 3270 1 8 . 1 1 68 68 SER N N 68 109.305 109.305 110.770 -1.465 25447 3271 1 8 . 1 1 68 68 SER HA H 68 4.980 4.980 4.892 0.088 25447 3272 1 8 . 1 1 68 68 SER CA C 68 55.785 55.785 56.770 -0.985 25447 3273 1 8 . 1 1 68 68 SER CB C 68 67.691 67.691 66.359 1.332 25447 3274 1 8 . 1 1 68 68 SER H H 68 8.145 8.145 7.487 0.658 25447 3275 1 8 . 1 1 69 69 ILE N N 69 122.602 122.602 122.350 0.252 25447 3276 1 8 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.774 -0.098 25447 3277 1 8 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.264 1.489 25447 3278 1 8 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.653 -0.357 25447 3279 1 8 . 1 1 69 69 ILE H H 69 9.775 9.775 9.130 0.645 25447 3280 1 8 . 1 1 70 70 ARG N N 70 118.764 118.764 118.865 -0.101 25447 3281 1 8 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.911 0.044 25447 3282 1 8 . 1 1 70 70 ARG CA C 70 60.533 60.533 60.048 0.485 25447 3283 1 8 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.724 0.694 25447 3284 1 8 . 1 1 70 70 ARG H H 70 8.910 8.910 8.557 0.353 25447 3285 1 8 . 1 1 71 71 SER N N 71 117.670 117.670 115.396 2.274 25447 3286 1 8 . 1 1 71 71 SER HA H 71 4.330 4.330 4.305 0.025 25447 3287 1 8 . 1 1 71 71 SER CA C 71 62.287 62.287 61.720 0.567 25447 3288 1 8 . 1 1 71 71 SER CB C 71 63.278 63.278 62.936 0.342 25447 3289 1 8 . 1 1 71 71 SER H H 71 8.518 8.518 7.680 0.838 25447 3290 1 8 . 1 1 72 72 ILE N N 72 127.447 127.447 124.545 2.902 25447 3291 1 8 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.796 0.114 25447 3292 1 8 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.383 1.428 25447 3293 1 8 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.571 0.827 25447 3294 1 8 . 1 1 72 72 ILE H H 72 8.762 8.762 7.511 1.251 25447 3295 1 8 . 1 1 73 73 ASP N N 73 121.636 121.636 120.042 1.594 25447 3296 1 8 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.336 -0.323 25447 3297 1 8 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.279 1.869 25447 3298 1 8 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.704 2.836 25447 3299 1 8 . 1 1 73 73 ASP H H 73 8.677 8.677 8.052 0.625 25447 3300 1 8 . 1 1 74 74 ALA N N 74 118.793 118.793 121.969 -3.176 25447 3301 1 8 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.091 -0.047 25447 3302 1 8 . 1 1 74 74 ALA CA C 74 55.321 55.321 54.952 0.369 25447 3303 1 8 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.347 -0.402 25447 3304 1 8 . 1 1 74 74 ALA H H 74 8.005 8.005 7.716 0.289 25447 3305 1 8 . 1 1 75 75 PHE N N 75 121.235 121.235 119.898 1.337 25447 3306 1 8 . 1 1 75 75 PHE HA H 75 4.038 4.038 3.983 0.055 25447 3307 1 8 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.898 -0.883 25447 3308 1 8 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.276 -0.439 25447 3309 1 8 . 1 1 75 75 PHE H H 75 8.353 8.353 8.508 -0.155 25447 3310 1 8 . 1 1 76 76 VAL N N 76 120.866 120.866 119.051 1.815 25447 3311 1 8 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.368 -0.425 25447 3312 1 8 . 1 1 76 76 VAL CA C 76 66.901 66.901 67.228 -0.327 25447 3313 1 8 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.564 -0.317 25447 3314 1 8 . 1 1 76 76 VAL H H 76 8.544 8.544 7.914 0.630 25447 3315 1 8 . 1 1 77 77 VAL N N 77 121.408 121.408 119.460 1.948 25447 3316 1 8 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.667 -0.172 25447 3317 1 8 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.446 0.387 25447 3318 1 8 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.235 0.695 25447 3319 1 8 . 1 1 77 77 VAL H H 77 8.708 8.708 8.133 0.575 25447 3320 1 8 . 1 1 78 78 GLY N N 78 106.402 106.402 106.793 -0.391 25447 3321 1 8 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.014 -0.174 25447 3322 1 8 . 1 1 78 78 GLY H H 78 7.945 7.945 8.621 -0.676 25447 3323 1 8 . 1 1 79 79 ALA N N 79 121.146 121.146 122.810 -1.664 25447 3324 1 8 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.887 0.320 25447 3325 1 8 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.429 -1.500 25447 3326 1 8 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.096 1.165 25447 3327 1 8 . 1 1 79 79 ALA H H 79 7.639 7.639 7.475 0.164 25447 3328 1 8 . 1 1 80 80 THR N N 80 107.668 107.668 110.174 -2.506 25447 3329 1 8 . 1 1 80 80 THR HA H 80 4.443 4.443 4.229 0.214 25447 3330 1 8 . 1 1 80 80 THR CA C 80 61.406 61.406 63.246 -1.840 25447 3331 1 8 . 1 1 80 80 THR CB C 80 70.767 70.767 69.674 1.093 25447 3332 1 8 . 1 1 80 80 THR H H 80 7.449 7.449 7.515 -0.066 25447 3333 1 8 . 1 1 81 81 THR N N 81 119.953 119.953 117.818 2.135 25447 3334 1 8 . 1 1 81 81 THR HA H 81 4.665 4.665 4.788 -0.123 25447 3335 1 8 . 1 1 81 81 THR CA C 81 60.412 60.412 59.199 1.213 25447 3336 1 8 . 1 1 81 81 THR CB C 81 70.113 70.113 70.797 -0.685 25447 3337 1 8 . 1 1 81 81 THR H H 81 7.685 7.685 7.840 -0.155 25447 3338 1 8 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.713 -0.024 25447 3339 1 8 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.022 -0.334 25447 3340 1 8 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.538 0.430 25447 3341 1 8 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.537 -0.056 25447 3342 1 8 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.402 0.529 25447 3343 1 8 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.679 -0.486 25447 3344 1 8 . 1 1 84 84 VAL N N 84 120.691 120.691 121.551 -0.860 25447 3345 1 8 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.139 -0.046 25447 3346 1 8 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.719 0.620 25447 3347 1 8 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.793 0.058 25447 3348 1 8 . 1 1 84 84 VAL H H 84 8.257 8.257 8.014 0.243 25447 3349 1 8 . 1 1 85 85 GLU N N 85 127.655 127.655 125.117 2.538 25447 3350 1 8 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.845 0.439 25447 3351 1 8 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.193 0.561 25447 3352 1 8 . 1 1 85 85 GLU CB C 85 30.559 30.559 29.727 0.832 25447 3353 1 8 . 1 1 85 85 GLU H H 85 8.202 8.202 8.650 -0.448 25447 3354 1 8 . 1 1 86 86 ALA N N 86 126.437 126.437 123.241 3.196 25447 3355 1 8 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.128 -0.077 25447 3356 1 8 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.629 -0.481 25447 3357 1 8 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.707 -0.247 25447 3358 1 8 . 1 1 86 86 ALA H H 86 8.323 8.323 8.360 -0.037 25447 3359 1 8 . 1 1 87 87 LYS N N 87 121.796 121.796 120.953 0.843 25447 3360 1 8 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.032 0.315 25447 3361 1 8 . 1 1 87 87 LYS CA C 87 56.297 56.297 57.961 -1.664 25447 3362 1 8 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.538 0.738 25447 3363 1 8 . 1 1 87 87 LYS H H 87 8.333 8.333 8.456 -0.123 25447 3364 1 8 . 1 1 88 88 LEU N N 88 125.576 125.576 120.438 5.138 25447 3365 1 8 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.388 -0.481 25447 3366 1 8 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.538 1.234 25447 3367 1 8 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.377 0.095 25447 3368 1 8 . 1 1 88 88 LEU H H 88 8.444 8.444 7.502 0.942 25447 3369 1 9 . 1 1 1 1 MET N N 1 120.668 120.668 115.052 5.616 25447 3370 1 9 . 1 1 1 1 MET HA H 1 4.484 4.484 4.406 0.078 25447 3371 1 9 . 1 1 1 1 MET CA C 1 55.257 55.257 55.651 -0.394 25447 3372 1 9 . 1 1 1 1 MET CB C 1 34.517 34.517 32.450 2.067 25447 3373 1 9 . 1 1 1 1 MET H H 1 8.313 8.313 7.748 0.565 25447 3374 1 9 . 1 1 2 2 GLN N N 2 123.739 123.739 114.958 8.781 25447 3375 1 9 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.969 0.061 25447 3376 1 9 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.739 1.135 25447 3377 1 9 . 1 1 2 2 GLN CB C 2 29.938 29.938 26.197 3.741 25447 3378 1 9 . 1 1 2 2 GLN H H 2 9.455 9.455 7.928 1.527 25447 3379 1 9 . 1 1 3 3 HIS N N 3 119.115 119.115 114.982 4.133 25447 3380 1 9 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.184 0.932 25447 3381 1 9 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.770 -1.276 25447 3382 1 9 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.846 3.169 25447 3383 1 9 . 1 1 3 3 HIS H H 3 9.783 9.783 8.617 1.166 25447 3384 1 9 . 1 1 4 4 ALA N N 4 122.648 122.648 122.818 -0.170 25447 3385 1 9 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.087 -0.184 25447 3386 1 9 . 1 1 4 4 ALA CA C 4 56.479 56.479 54.821 1.658 25447 3387 1 9 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.796 0.399 25447 3388 1 9 . 1 1 4 4 ALA H H 4 7.551 7.551 8.680 -1.129 25447 3389 1 9 . 1 1 5 5 SER N N 5 112.599 112.599 114.295 -1.696 25447 3390 1 9 . 1 1 5 5 SER HA H 5 4.298 4.298 4.316 -0.018 25447 3391 1 9 . 1 1 5 5 SER CA C 5 62.117 62.117 61.510 0.607 25447 3392 1 9 . 1 1 5 5 SER CB C 5 62.334 62.334 62.700 -0.366 25447 3393 1 9 . 1 1 5 5 SER H H 5 8.736 8.736 8.347 0.389 25447 3394 1 9 . 1 1 6 6 VAL N N 6 122.866 122.866 121.592 1.274 25447 3395 1 9 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.790 0.315 25447 3396 1 9 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.185 -0.453 25447 3397 1 9 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.762 0.976 25447 3398 1 9 . 1 1 6 6 VAL H H 6 7.660 7.660 7.399 0.261 25447 3399 1 9 . 1 1 7 7 ILE N N 7 121.715 121.715 119.694 2.021 25447 3400 1 9 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.189 0.035 25447 3401 1 9 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.591 -0.262 25447 3402 1 9 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.664 1.029 25447 3403 1 9 . 1 1 7 7 ILE H H 7 8.519 8.519 7.482 1.037 25447 3404 1 9 . 1 1 8 8 ALA N N 8 121.373 121.373 121.332 0.041 25447 3405 1 9 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.028 -0.133 25447 3406 1 9 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.304 0.953 25447 3407 1 9 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.046 0.594 25447 3408 1 9 . 1 1 8 8 ALA H H 8 8.940 8.940 7.912 1.028 25447 3409 1 9 . 1 1 9 9 GLN N N 9 115.076 115.076 119.290 -4.214 25447 3410 1 9 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.939 -0.069 25447 3411 1 9 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.998 0.194 25447 3412 1 9 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.633 -0.495 25447 3413 1 9 . 1 1 9 9 GLN H H 9 7.729 7.729 8.312 -0.583 25447 3414 1 9 . 1 1 10 10 PHE N N 10 120.207 120.207 118.865 1.342 25447 3415 1 9 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.797 0.288 25447 3416 1 9 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.686 -0.793 25447 3417 1 9 . 1 1 10 10 PHE CB C 10 38.932 38.932 37.990 0.942 25447 3418 1 9 . 1 1 10 10 PHE H H 10 7.301 7.301 8.040 -0.739 25447 3419 1 9 . 1 1 11 11 VAL N N 11 117.569 117.569 117.306 0.263 25447 3420 1 9 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.952 -0.645 25447 3421 1 9 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.835 0.673 25447 3422 1 9 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.482 0.005 25447 3423 1 9 . 1 1 11 11 VAL H H 11 8.370 8.370 7.787 0.583 25447 3424 1 9 . 1 1 12 12 VAL N N 12 117.909 117.909 121.250 -3.341 25447 3425 1 9 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.646 0.095 25447 3426 1 9 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.992 -1.116 25447 3427 1 9 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.386 -0.074 25447 3428 1 9 . 1 1 12 12 VAL H H 12 8.294 8.294 8.155 0.139 25447 3429 1 9 . 1 1 13 13 GLU N N 13 117.918 117.918 118.327 -0.409 25447 3430 1 9 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.943 -0.201 25447 3431 1 9 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.479 0.828 25447 3432 1 9 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.249 0.240 25447 3433 1 9 . 1 1 13 13 GLU H H 13 7.750 7.750 8.363 -0.613 25447 3434 1 9 . 1 1 14 14 GLU N N 14 113.478 113.478 118.072 -4.594 25447 3435 1 9 . 1 1 14 14 GLU HA H 14 3.778 3.778 3.856 -0.078 25447 3436 1 9 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.568 -1.768 25447 3437 1 9 . 1 1 14 14 GLU CB C 14 29.643 29.643 29.827 -0.184 25447 3438 1 9 . 1 1 14 14 GLU H H 14 7.603 7.603 7.939 -0.336 25447 3439 1 9 . 1 1 15 15 PHE N N 15 114.193 114.193 113.694 0.499 25447 3440 1 9 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.625 0.314 25447 3441 1 9 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.865 -0.770 25447 3442 1 9 . 1 1 15 15 PHE CB C 15 42.095 42.095 41.876 0.219 25447 3443 1 9 . 1 1 15 15 PHE H H 15 7.908 7.908 7.502 0.406 25447 3444 1 9 . 1 1 16 16 LEU N N 16 121.492 121.492 121.237 0.255 25447 3445 1 9 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.882 0.085 25447 3446 1 9 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.379 -0.002 25447 3447 1 9 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.656 1.077 25447 3448 1 9 . 1 1 16 16 LEU H H 16 8.015 8.015 8.166 -0.151 25447 3449 1 9 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.401 -0.018 25447 3450 1 9 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.127 0.731 25447 3451 1 9 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.867 -0.038 25447 3452 1 9 . 1 1 18 18 ASP N N 18 116.508 116.508 118.238 -1.730 25447 3453 1 9 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.750 -0.182 25447 3454 1 9 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.904 0.784 25447 3455 1 9 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.518 0.108 25447 3456 1 9 . 1 1 18 18 ASP H H 18 8.399 8.399 8.601 -0.202 25447 3457 1 9 . 1 1 19 19 VAL N N 19 122.135 122.135 120.841 1.294 25447 3458 1 9 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.152 -0.034 25447 3459 1 9 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.900 0.393 25447 3460 1 9 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.810 -0.228 25447 3461 1 9 . 1 1 19 19 VAL H H 19 7.760 7.760 7.279 0.481 25447 3462 1 9 . 1 1 20 20 ALA N N 20 129.301 129.301 130.696 -1.395 25447 3463 1 9 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.519 0.080 25447 3464 1 9 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.143 0.127 25447 3465 1 9 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.275 -0.847 25447 3466 1 9 . 1 1 20 20 ALA H H 20 8.761 8.761 8.343 0.418 25447 3467 1 9 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.160 -0.083 25447 3468 1 9 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.372 0.831 25447 3469 1 9 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.779 -0.371 25447 3470 1 9 . 1 1 22 22 ALA N N 22 116.106 116.106 117.990 -1.884 25447 3471 1 9 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.130 -0.013 25447 3472 1 9 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.145 -0.149 25447 3473 1 9 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.222 0.622 25447 3474 1 9 . 1 1 22 22 ALA H H 22 8.064 8.064 7.891 0.173 25447 3475 1 9 . 1 1 23 23 ASP N N 23 115.541 115.541 117.322 -1.781 25447 3476 1 9 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.659 0.018 25447 3477 1 9 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.858 0.478 25447 3478 1 9 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.930 0.423 25447 3479 1 9 . 1 1 23 23 ASP H H 23 8.003 8.003 8.164 -0.161 25447 3480 1 9 . 1 1 24 24 VAL N N 24 121.517 121.517 121.018 0.499 25447 3481 1 9 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.205 -0.384 25447 3482 1 9 . 1 1 24 24 VAL CA C 24 62.345 62.345 60.657 1.688 25447 3483 1 9 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.923 -1.190 25447 3484 1 9 . 1 1 24 24 VAL H H 24 7.069 7.069 7.504 -0.435 25447 3485 1 9 . 1 1 25 25 ASP N N 25 129.329 129.329 127.018 2.311 25447 3486 1 9 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.809 -0.235 25447 3487 1 9 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.287 1.279 25447 3488 1 9 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.782 0.551 25447 3489 1 9 . 1 1 25 25 ASP H H 25 8.474 8.474 8.683 -0.209 25447 3490 1 9 . 1 1 26 26 VAL N N 26 121.920 121.920 121.356 0.564 25447 3491 1 9 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.018 0.090 25447 3492 1 9 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.114 1.403 25447 3493 1 9 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.828 -0.630 25447 3494 1 9 . 1 1 26 26 VAL H H 26 8.591 8.591 8.620 -0.029 25447 3495 1 9 . 1 1 27 27 ASP N N 27 116.286 116.286 117.980 -1.694 25447 3496 1 9 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.681 0.464 25447 3497 1 9 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.956 -0.775 25447 3498 1 9 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.577 1.998 25447 3499 1 9 . 1 1 27 27 ASP H H 27 8.609 8.609 8.114 0.495 25447 3500 1 9 . 1 1 28 28 LEU N N 28 125.116 125.116 122.303 2.813 25447 3501 1 9 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.524 -0.513 25447 3502 1 9 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.235 1.852 25447 3503 1 9 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.185 -0.864 25447 3504 1 9 . 1 1 28 28 LEU H H 28 7.374 7.374 7.349 0.025 25447 3505 1 9 . 1 1 29 29 ASP N N 29 125.924 125.924 124.890 1.034 25447 3506 1 9 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.689 0.145 25447 3507 1 9 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.808 -0.888 25447 3508 1 9 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.157 0.222 25447 3509 1 9 . 1 1 29 29 ASP H H 29 8.699 8.699 8.548 0.151 25447 3510 1 9 . 1 1 30 30 LEU N N 30 129.975 129.975 124.706 5.269 25447 3511 1 9 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.131 -0.214 25447 3512 1 9 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.289 -0.901 25447 3513 1 9 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.456 -0.217 25447 3514 1 9 . 1 1 30 30 LEU H H 30 9.718 9.718 8.126 1.592 25447 3515 1 9 . 1 1 31 31 VAL N N 31 121.212 121.212 117.211 4.001 25447 3516 1 9 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.630 0.563 25447 3517 1 9 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.500 -2.067 25447 3518 1 9 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.202 0.973 25447 3519 1 9 . 1 1 31 31 VAL H H 31 8.163 8.163 7.681 0.482 25447 3520 1 9 . 1 1 32 32 ASP N N 32 124.893 124.893 118.808 6.085 25447 3521 1 9 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.342 0.016 25447 3522 1 9 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.677 0.548 25447 3523 1 9 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.663 0.072 25447 3524 1 9 . 1 1 32 32 ASP H H 32 9.385 9.385 8.709 0.676 25447 3525 1 9 . 1 1 33 33 ASN N N 33 111.484 111.484 116.674 -5.190 25447 3526 1 9 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.562 0.158 25447 3527 1 9 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.602 0.284 25447 3528 1 9 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.004 0.002 25447 3529 1 9 . 1 1 33 33 ASN H H 33 7.396 7.396 7.628 -0.232 25447 3530 1 9 . 1 1 34 34 GLY N N 34 106.957 106.957 106.230 0.727 25447 3531 1 9 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.712 0.895 25447 3532 1 9 . 1 1 34 34 GLY H H 34 7.618 7.618 7.866 -0.248 25447 3533 1 9 . 1 1 35 35 VAL N N 35 120.424 120.424 118.330 2.094 25447 3534 1 9 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.338 0.428 25447 3535 1 9 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.722 0.403 25447 3536 1 9 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.802 0.077 25447 3537 1 9 . 1 1 35 35 VAL H H 35 7.792 7.792 7.908 -0.116 25447 3538 1 9 . 1 1 36 36 ILE N N 36 116.364 116.364 118.766 -2.402 25447 3539 1 9 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.912 -0.175 25447 3540 1 9 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.601 -0.916 25447 3541 1 9 . 1 1 36 36 ILE CB C 36 38.807 38.807 38.163 0.643 25447 3542 1 9 . 1 1 36 36 ILE H H 36 7.331 7.331 7.750 -0.419 25447 3543 1 9 . 1 1 37 37 ASP N N 37 127.306 127.306 126.269 1.037 25447 3544 1 9 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.662 0.002 25447 3545 1 9 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.446 -0.830 25447 3546 1 9 . 1 1 37 37 ASP CB C 37 41.209 41.209 43.778 -2.569 25447 3547 1 9 . 1 1 37 37 ASP H H 37 7.874 7.874 8.060 -0.186 25447 3548 1 9 . 1 1 38 38 ALA N N 38 120.352 120.352 122.757 -2.405 25447 3549 1 9 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.154 -0.159 25447 3550 1 9 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.200 1.092 25447 3551 1 9 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.543 -0.231 25447 3552 1 9 . 1 1 38 38 ALA H H 38 8.244 8.244 8.335 -0.091 25447 3553 1 9 . 1 1 39 39 LEU N N 39 117.438 117.438 118.364 -0.926 25447 3554 1 9 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.189 0.061 25447 3555 1 9 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.057 0.298 25447 3556 1 9 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.172 0.064 25447 3557 1 9 . 1 1 39 39 LEU H H 39 7.688 7.688 8.440 -0.752 25447 3558 1 9 . 1 1 40 40 GLY N N 40 112.015 112.015 107.969 4.046 25447 3559 1 9 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.277 0.822 25447 3560 1 9 . 1 1 40 40 GLY H H 40 8.732 8.732 8.342 0.390 25447 3561 1 9 . 1 1 41 41 LEU N N 41 122.983 122.983 123.316 -0.333 25447 3562 1 9 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.934 -0.083 25447 3563 1 9 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.534 0.798 25447 3564 1 9 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.929 -0.290 25447 3565 1 9 . 1 1 41 41 LEU H H 41 8.548 8.548 8.132 0.416 25447 3566 1 9 . 1 1 42 42 LEU N N 42 116.076 116.076 120.053 -3.977 25447 3567 1 9 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.892 0.136 25447 3568 1 9 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.532 -0.468 25447 3569 1 9 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.804 -0.864 25447 3570 1 9 . 1 1 42 42 LEU H H 42 7.168 7.168 7.641 -0.473 25447 3571 1 9 . 1 1 43 43 LYS N N 43 119.831 119.831 118.907 0.924 25447 3572 1 9 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.010 0.274 25447 3573 1 9 . 1 1 43 43 LYS CA C 43 59.644 59.644 60.055 -0.411 25447 3574 1 9 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.322 0.205 25447 3575 1 9 . 1 1 43 43 LYS H H 43 7.640 7.640 8.284 -0.644 25447 3576 1 9 . 1 1 44 44 VAL N N 44 121.046 121.046 120.444 0.602 25447 3577 1 9 . 1 1 44 44 VAL HA H 44 3.949 3.949 3.971 -0.022 25447 3578 1 9 . 1 1 44 44 VAL CB C 44 31.643 31.643 32.029 -0.386 25447 3579 1 9 . 1 1 44 44 VAL H H 44 8.269 8.269 7.756 0.513 25447 3580 1 9 . 1 1 45 45 ILE N N 45 119.333 119.333 119.560 -0.227 25447 3581 1 9 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.657 -0.253 25447 3582 1 9 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.063 2.085 25447 3583 1 9 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.290 0.987 25447 3584 1 9 . 1 1 45 45 ILE H H 45 8.145 8.145 7.776 0.369 25447 3585 1 9 . 1 1 46 46 ALA N N 46 121.213 121.213 123.596 -2.383 25447 3586 1 9 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.017 0.240 25447 3587 1 9 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.395 -0.231 25447 3588 1 9 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.529 -0.161 25447 3589 1 9 . 1 1 46 46 ALA H H 46 7.792 7.792 8.162 -0.370 25447 3590 1 9 . 1 1 47 47 TRP N N 47 121.416 121.416 120.334 1.082 25447 3591 1 9 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.382 -0.148 25447 3592 1 9 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.918 1.752 25447 3593 1 9 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.270 -1.031 25447 3594 1 9 . 1 1 47 47 TRP H H 47 8.093 8.093 7.915 0.178 25447 3595 1 9 . 1 1 48 48 LEU N N 48 118.963 118.963 120.957 -1.994 25447 3596 1 9 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.744 0.842 25447 3597 1 9 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.790 0.405 25447 3598 1 9 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.229 1.022 25447 3599 1 9 . 1 1 48 48 LEU H H 48 8.693 8.693 7.416 1.277 25447 3600 1 9 . 1 1 49 49 GLU N N 49 119.131 119.131 117.626 1.505 25447 3601 1 9 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.988 0.062 25447 3602 1 9 . 1 1 49 49 GLU CA C 49 59.862 59.862 58.926 0.936 25447 3603 1 9 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.730 0.856 25447 3604 1 9 . 1 1 49 49 GLU H H 49 7.771 7.771 7.795 -0.024 25447 3605 1 9 . 1 1 50 50 ASP N N 50 119.941 119.941 120.324 -0.383 25447 3606 1 9 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.398 -0.161 25447 3607 1 9 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.773 0.582 25447 3608 1 9 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.950 1.433 25447 3609 1 9 . 1 1 50 50 ASP H H 50 7.697 7.697 7.620 0.077 25447 3610 1 9 . 1 1 51 51 ARG N N 51 116.911 116.911 117.594 -0.683 25447 3611 1 9 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.007 -0.271 25447 3612 1 9 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.380 -2.016 25447 3613 1 9 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.276 -0.961 25447 3614 1 9 . 1 1 51 51 ARG H H 51 8.881 8.881 7.802 1.079 25447 3615 1 9 . 1 1 52 52 PHE N N 52 112.328 112.328 116.351 -4.023 25447 3616 1 9 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.638 0.037 25447 3617 1 9 . 1 1 52 52 PHE CA C 52 57.413 57.413 58.021 -0.608 25447 3618 1 9 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.395 1.496 25447 3619 1 9 . 1 1 52 52 PHE H H 52 7.284 7.284 7.502 -0.218 25447 3620 1 9 . 1 1 53 53 GLY N N 53 109.826 109.826 108.849 0.977 25447 3621 1 9 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.603 1.198 25447 3622 1 9 . 1 1 53 53 GLY H H 53 7.427 7.427 8.115 -0.688 25447 3623 1 9 . 1 1 54 54 ILE N N 54 119.127 119.127 115.271 3.856 25447 3624 1 9 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.520 -0.569 25447 3625 1 9 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.294 1.391 25447 3626 1 9 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.464 0.026 25447 3627 1 9 . 1 1 54 54 ILE H H 54 6.876 6.876 7.474 -0.598 25447 3628 1 9 . 1 1 55 55 ALA N N 55 129.823 129.823 125.298 4.525 25447 3629 1 9 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.514 -0.100 25447 3630 1 9 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.962 0.648 25447 3631 1 9 . 1 1 55 55 ALA CB C 55 19.262 19.262 19.371 -0.109 25447 3632 1 9 . 1 1 55 55 ALA H H 55 8.499 8.499 8.569 -0.070 25447 3633 1 9 . 1 1 56 56 ALA N N 56 126.300 126.300 126.645 -0.345 25447 3634 1 9 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.089 0.180 25447 3635 1 9 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.679 -1.205 25447 3636 1 9 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.786 0.458 25447 3637 1 9 . 1 1 56 56 ALA H H 56 8.641 8.641 8.785 -0.144 25447 3638 1 9 . 1 1 57 57 ASP N N 57 116.395 116.395 117.184 -0.789 25447 3639 1 9 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.363 0.116 25447 3640 1 9 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.332 -1.106 25447 3641 1 9 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.123 0.798 25447 3642 1 9 . 1 1 57 57 ASP H H 57 8.337 8.337 8.477 -0.140 25447 3643 1 9 . 1 1 58 58 ASP N N 58 118.557 118.557 118.674 -0.117 25447 3644 1 9 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.443 0.193 25447 3645 1 9 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.896 -0.752 25447 3646 1 9 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.311 0.193 25447 3647 1 9 . 1 1 58 58 ASP H H 58 8.027 8.027 7.962 0.065 25447 3648 1 9 . 1 1 59 59 VAL N N 59 118.898 118.898 118.582 0.316 25447 3649 1 9 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.196 -0.020 25447 3650 1 9 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.468 0.833 25447 3651 1 9 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.963 -1.885 25447 3652 1 9 . 1 1 59 59 VAL H H 59 7.716 7.716 7.488 0.228 25447 3653 1 9 . 1 1 60 60 GLU N N 60 122.888 122.888 126.282 -3.394 25447 3654 1 9 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.406 -0.122 25447 3655 1 9 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.965 0.581 25447 3656 1 9 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.577 -0.795 25447 3657 1 9 . 1 1 60 60 GLU H H 60 8.367 8.367 8.414 -0.047 25447 3658 1 9 . 1 1 61 61 LEU N N 61 124.827 124.827 125.802 -0.975 25447 3659 1 9 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.542 -0.184 25447 3660 1 9 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.141 0.675 25447 3661 1 9 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.099 -1.162 25447 3662 1 9 . 1 1 61 61 LEU H H 61 8.198 8.198 8.488 -0.290 25447 3663 1 9 . 1 1 62 62 SER N N 62 118.715 118.715 118.316 0.399 25447 3664 1 9 . 1 1 62 62 SER HA H 62 4.809 4.809 4.961 -0.152 25447 3665 1 9 . 1 1 62 62 SER CA C 62 55.732 55.732 55.476 0.256 25447 3666 1 9 . 1 1 62 62 SER CB C 62 64.017 64.017 64.830 -0.813 25447 3667 1 9 . 1 1 62 62 SER H H 62 8.137 8.137 8.117 0.020 25447 3668 1 9 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.197 0.056 25447 3669 1 9 . 1 1 63 63 PRO CA C 63 64.896 64.896 64.864 0.032 25447 3670 1 9 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.723 0.329 25447 3671 1 9 . 1 1 64 64 GLU N N 64 116.554 116.554 118.847 -2.293 25447 3672 1 9 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.119 -0.246 25447 3673 1 9 . 1 1 64 64 GLU CA C 64 58.719 58.719 59.043 -0.324 25447 3674 1 9 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.199 -0.518 25447 3675 1 9 . 1 1 64 64 GLU H H 64 8.316 8.316 8.496 -0.180 25447 3676 1 9 . 1 1 65 65 HIS N N 65 115.487 115.487 119.478 -3.991 25447 3677 1 9 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.282 -0.002 25447 3678 1 9 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.252 -0.600 25447 3679 1 9 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.576 0.306 25447 3680 1 9 . 1 1 65 65 HIS H H 65 7.274 7.274 8.238 -0.964 25447 3681 1 9 . 1 1 66 66 PHE N N 66 116.127 116.127 116.477 -0.350 25447 3682 1 9 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.457 0.309 25447 3683 1 9 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.495 -1.713 25447 3684 1 9 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.433 1.475 25447 3685 1 9 . 1 1 66 66 PHE H H 66 7.239 7.239 7.792 -0.553 25447 3686 1 9 . 1 1 67 67 ARG N N 67 112.468 112.468 120.058 -7.590 25447 3687 1 9 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.950 0.135 25447 3688 1 9 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.277 -0.990 25447 3689 1 9 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.284 1.476 25447 3690 1 9 . 1 1 67 67 ARG H H 67 6.628 6.628 7.948 -1.320 25447 3691 1 9 . 1 1 68 68 SER N N 68 109.305 109.305 109.725 -0.420 25447 3692 1 9 . 1 1 68 68 SER HA H 68 4.980 4.980 4.778 0.202 25447 3693 1 9 . 1 1 68 68 SER CA C 68 55.785 55.785 56.519 -0.734 25447 3694 1 9 . 1 1 68 68 SER CB C 68 67.691 67.691 67.012 0.679 25447 3695 1 9 . 1 1 68 68 SER H H 68 8.145 8.145 7.378 0.767 25447 3696 1 9 . 1 1 69 69 ILE N N 69 122.602 122.602 122.774 -0.172 25447 3697 1 9 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.817 -0.141 25447 3698 1 9 . 1 1 69 69 ILE CA C 69 66.754 66.754 63.914 2.840 25447 3699 1 9 . 1 1 69 69 ILE CB C 69 37.296 37.296 36.859 0.437 25447 3700 1 9 . 1 1 69 69 ILE H H 69 9.775 9.775 9.244 0.531 25447 3701 1 9 . 1 1 70 70 ARG N N 70 118.764 118.764 118.199 0.565 25447 3702 1 9 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.999 -0.044 25447 3703 1 9 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.255 1.278 25447 3704 1 9 . 1 1 70 70 ARG CB C 70 30.418 30.418 28.906 1.512 25447 3705 1 9 . 1 1 70 70 ARG H H 70 8.910 8.910 8.302 0.608 25447 3706 1 9 . 1 1 71 71 SER N N 71 117.670 117.670 115.642 2.028 25447 3707 1 9 . 1 1 71 71 SER HA H 71 4.330 4.330 4.250 0.080 25447 3708 1 9 . 1 1 71 71 SER CA C 71 62.287 62.287 61.750 0.537 25447 3709 1 9 . 1 1 71 71 SER CB C 71 63.278 63.278 63.142 0.136 25447 3710 1 9 . 1 1 71 71 SER H H 71 8.518 8.518 7.422 1.096 25447 3711 1 9 . 1 1 72 72 ILE N N 72 127.447 127.447 123.163 4.284 25447 3712 1 9 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.739 0.171 25447 3713 1 9 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.230 1.581 25447 3714 1 9 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.763 0.635 25447 3715 1 9 . 1 1 72 72 ILE H H 72 8.762 8.762 7.635 1.127 25447 3716 1 9 . 1 1 73 73 ASP N N 73 121.636 121.636 120.061 1.575 25447 3717 1 9 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.309 -0.296 25447 3718 1 9 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.267 1.881 25447 3719 1 9 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.713 2.827 25447 3720 1 9 . 1 1 73 73 ASP H H 73 8.677 8.677 8.013 0.664 25447 3721 1 9 . 1 1 74 74 ALA N N 74 118.793 118.793 121.752 -2.959 25447 3722 1 9 . 1 1 74 74 ALA HA H 74 4.044 4.044 3.997 0.047 25447 3723 1 9 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.150 0.171 25447 3724 1 9 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.491 -0.546 25447 3725 1 9 . 1 1 74 74 ALA H H 74 8.005 8.005 8.031 -0.026 25447 3726 1 9 . 1 1 75 75 PHE N N 75 121.235 121.235 120.080 1.155 25447 3727 1 9 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.020 0.018 25447 3728 1 9 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.838 -0.823 25447 3729 1 9 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.334 -0.497 25447 3730 1 9 . 1 1 75 75 PHE H H 75 8.353 8.353 8.363 -0.010 25447 3731 1 9 . 1 1 76 76 VAL N N 76 120.866 120.866 118.702 2.164 25447 3732 1 9 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.388 -0.445 25447 3733 1 9 . 1 1 76 76 VAL CA C 76 66.901 66.901 67.057 -0.156 25447 3734 1 9 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.229 0.018 25447 3735 1 9 . 1 1 76 76 VAL H H 76 8.544 8.544 7.861 0.683 25447 3736 1 9 . 1 1 77 77 VAL N N 77 121.408 121.408 119.584 1.824 25447 3737 1 9 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.772 -0.277 25447 3738 1 9 . 1 1 77 77 VAL CA C 77 66.833 66.833 64.645 2.188 25447 3739 1 9 . 1 1 77 77 VAL CB C 77 31.930 31.930 30.760 1.170 25447 3740 1 9 . 1 1 77 77 VAL H H 77 8.708 8.708 8.055 0.653 25447 3741 1 9 . 1 1 78 78 GLY N N 78 106.402 106.402 107.456 -1.054 25447 3742 1 9 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.136 -0.296 25447 3743 1 9 . 1 1 78 78 GLY H H 78 7.945 7.945 8.561 -0.616 25447 3744 1 9 . 1 1 79 79 ALA N N 79 121.146 121.146 122.584 -1.438 25447 3745 1 9 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.963 0.244 25447 3746 1 9 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.386 -1.457 25447 3747 1 9 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.393 0.868 25447 3748 1 9 . 1 1 79 79 ALA H H 79 7.639 7.639 7.433 0.206 25447 3749 1 9 . 1 1 80 80 THR N N 80 107.668 107.668 110.566 -2.898 25447 3750 1 9 . 1 1 80 80 THR HA H 80 4.443 4.443 4.259 0.184 25447 3751 1 9 . 1 1 80 80 THR CA C 80 61.406 61.406 63.351 -1.945 25447 3752 1 9 . 1 1 80 80 THR CB C 80 70.767 70.767 69.604 1.163 25447 3753 1 9 . 1 1 80 80 THR H H 80 7.449 7.449 7.629 -0.180 25447 3754 1 9 . 1 1 81 81 THR N N 81 119.953 119.953 116.332 3.621 25447 3755 1 9 . 1 1 81 81 THR HA H 81 4.665 4.665 4.812 -0.147 25447 3756 1 9 . 1 1 81 81 THR CA C 81 60.412 60.412 59.270 1.142 25447 3757 1 9 . 1 1 81 81 THR CB C 81 70.113 70.113 69.355 0.758 25447 3758 1 9 . 1 1 81 81 THR H H 81 7.685 7.685 7.984 -0.299 25447 3759 1 9 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.355 0.334 25447 3760 1 9 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.418 -0.730 25447 3761 1 9 . 1 1 82 82 PRO CB C 82 30.969 30.969 31.140 -0.171 25447 3762 1 9 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.282 0.199 25447 3763 1 9 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.425 0.506 25447 3764 1 9 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.062 0.131 25447 3765 1 9 . 1 1 84 84 VAL N N 84 120.691 120.691 122.811 -2.120 25447 3766 1 9 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.154 -0.061 25447 3767 1 9 . 1 1 84 84 VAL CA C 84 62.339 62.339 60.903 1.436 25447 3768 1 9 . 1 1 84 84 VAL CB C 84 32.851 32.851 33.240 -0.389 25447 3769 1 9 . 1 1 84 84 VAL H H 84 8.257 8.257 8.137 0.120 25447 3770 1 9 . 1 1 85 85 GLU N N 85 127.655 127.655 125.168 2.487 25447 3771 1 9 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.888 0.396 25447 3772 1 9 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.599 0.155 25447 3773 1 9 . 1 1 85 85 GLU CB C 85 30.559 30.559 27.709 2.850 25447 3774 1 9 . 1 1 85 85 GLU H H 85 8.202 8.202 8.723 -0.521 25447 3775 1 9 . 1 1 86 86 ALA N N 86 126.437 126.437 120.609 5.828 25447 3776 1 9 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.098 -0.047 25447 3777 1 9 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.603 -0.455 25447 3778 1 9 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.618 -0.158 25447 3779 1 9 . 1 1 86 86 ALA H H 86 8.323 8.323 7.916 0.407 25447 3780 1 9 . 1 1 87 87 LYS N N 87 121.796 121.796 120.552 1.244 25447 3781 1 9 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.056 0.291 25447 3782 1 9 . 1 1 87 87 LYS CA C 87 56.297 56.297 57.928 -1.631 25447 3783 1 9 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.570 0.706 25447 3784 1 9 . 1 1 87 87 LYS H H 87 8.333 8.333 8.489 -0.156 25447 3785 1 9 . 1 1 88 88 LEU N N 88 125.576 125.576 120.978 4.598 25447 3786 1 9 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.451 -0.544 25447 3787 1 9 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.229 1.543 25447 3788 1 9 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.306 0.166 25447 3789 1 9 . 1 1 88 88 LEU H H 88 8.444 8.444 7.667 0.777 25447 3790 1 10 . 1 1 1 1 MET N N 1 120.668 120.668 114.783 5.885 25447 3791 1 10 . 1 1 1 1 MET HA H 1 4.484 4.484 4.312 0.172 25447 3792 1 10 . 1 1 1 1 MET CA C 1 55.257 55.257 56.096 -0.839 25447 3793 1 10 . 1 1 1 1 MET CB C 1 34.517 34.517 32.124 2.393 25447 3794 1 10 . 1 1 1 1 MET H H 1 8.313 8.313 7.839 0.474 25447 3795 1 10 . 1 1 2 2 GLN N N 2 123.739 123.739 116.133 7.606 25447 3796 1 10 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.809 0.221 25447 3797 1 10 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.226 1.648 25447 3798 1 10 . 1 1 2 2 GLN CB C 2 29.938 29.938 26.430 3.508 25447 3799 1 10 . 1 1 2 2 GLN H H 2 9.455 9.455 7.548 1.907 25447 3800 1 10 . 1 1 3 3 HIS N N 3 119.115 119.115 113.726 5.389 25447 3801 1 10 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.151 0.965 25447 3802 1 10 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.983 -1.489 25447 3803 1 10 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.121 3.894 25447 3804 1 10 . 1 1 3 3 HIS H H 3 9.783 9.783 8.276 1.507 25447 3805 1 10 . 1 1 4 4 ALA N N 4 122.648 122.648 122.567 0.081 25447 3806 1 10 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.187 -0.284 25447 3807 1 10 . 1 1 4 4 ALA CA C 4 56.479 56.479 54.950 1.528 25447 3808 1 10 . 1 1 4 4 ALA CB C 4 19.194 19.194 19.131 0.062 25447 3809 1 10 . 1 1 4 4 ALA H H 4 7.551 7.551 8.395 -0.844 25447 3810 1 10 . 1 1 5 5 SER N N 5 112.599 112.599 114.720 -2.121 25447 3811 1 10 . 1 1 5 5 SER HA H 5 4.298 4.298 4.191 0.107 25447 3812 1 10 . 1 1 5 5 SER CA C 5 62.117 62.117 61.811 0.306 25447 3813 1 10 . 1 1 5 5 SER CB C 5 62.334 62.334 62.197 0.137 25447 3814 1 10 . 1 1 5 5 SER H H 5 8.736 8.736 8.412 0.324 25447 3815 1 10 . 1 1 6 6 VAL N N 6 122.866 122.866 122.367 0.499 25447 3816 1 10 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.811 0.294 25447 3817 1 10 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.317 -0.585 25447 3818 1 10 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.280 1.457 25447 3819 1 10 . 1 1 6 6 VAL H H 6 7.660 7.660 7.908 -0.248 25447 3820 1 10 . 1 1 7 7 ILE N N 7 121.715 121.715 120.354 1.361 25447 3821 1 10 . 1 1 7 7 ILE HA H 7 4.224 4.224 3.812 0.412 25447 3822 1 10 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.925 -0.596 25447 3823 1 10 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.552 1.141 25447 3824 1 10 . 1 1 7 7 ILE H H 7 8.519 8.519 7.578 0.941 25447 3825 1 10 . 1 1 8 8 ALA N N 8 121.373 121.373 121.549 -0.176 25447 3826 1 10 . 1 1 8 8 ALA HA H 8 3.895 3.895 3.983 -0.088 25447 3827 1 10 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.362 0.895 25447 3828 1 10 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.154 0.486 25447 3829 1 10 . 1 1 8 8 ALA H H 8 8.940 8.940 7.895 1.045 25447 3830 1 10 . 1 1 9 9 GLN N N 9 115.076 115.076 118.696 -3.620 25447 3831 1 10 . 1 1 9 9 GLN HA H 9 3.870 3.870 4.055 -0.185 25447 3832 1 10 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.699 0.493 25447 3833 1 10 . 1 1 9 9 GLN CB C 9 28.138 28.138 29.029 -0.891 25447 3834 1 10 . 1 1 9 9 GLN H H 9 7.729 7.729 8.257 -0.528 25447 3835 1 10 . 1 1 10 10 PHE N N 10 120.207 120.207 120.908 -0.701 25447 3836 1 10 . 1 1 10 10 PHE HA H 10 4.085 4.085 4.299 -0.214 25447 3837 1 10 . 1 1 10 10 PHE CA C 10 60.893 60.893 60.286 0.607 25447 3838 1 10 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.945 -0.013 25447 3839 1 10 . 1 1 10 10 PHE H H 10 7.301 7.301 8.725 -1.424 25447 3840 1 10 . 1 1 11 11 VAL N N 11 117.569 117.569 120.069 -2.500 25447 3841 1 10 . 1 1 11 11 VAL HA H 11 3.307 3.307 2.452 0.855 25447 3842 1 10 . 1 1 11 11 VAL CA C 11 66.508 66.508 64.973 1.535 25447 3843 1 10 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.536 -0.049 25447 3844 1 10 . 1 1 11 11 VAL H H 11 8.370 8.370 8.158 0.212 25447 3845 1 10 . 1 1 12 12 VAL N N 12 117.909 117.909 119.464 -1.555 25447 3846 1 10 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.568 0.173 25447 3847 1 10 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.830 -0.954 25447 3848 1 10 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.139 0.173 25447 3849 1 10 . 1 1 12 12 VAL H H 12 8.294 8.294 7.682 0.612 25447 3850 1 10 . 1 1 13 13 GLU N N 13 117.918 117.918 119.775 -1.857 25447 3851 1 10 . 1 1 13 13 GLU HA H 13 3.742 3.742 4.002 -0.260 25447 3852 1 10 . 1 1 13 13 GLU CA C 13 59.307 59.307 59.140 0.167 25447 3853 1 10 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.348 0.141 25447 3854 1 10 . 1 1 13 13 GLU H H 13 7.750 7.750 7.710 0.040 25447 3855 1 10 . 1 1 14 14 GLU N N 14 113.478 113.478 118.331 -4.853 25447 3856 1 10 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.020 -0.242 25447 3857 1 10 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.477 -1.677 25447 3858 1 10 . 1 1 14 14 GLU CB C 14 29.643 29.643 29.908 -0.265 25447 3859 1 10 . 1 1 14 14 GLU H H 14 7.603 7.603 7.541 0.062 25447 3860 1 10 . 1 1 15 15 PHE N N 15 114.193 114.193 118.178 -3.985 25447 3861 1 10 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.390 0.549 25447 3862 1 10 . 1 1 15 15 PHE CA C 15 58.095 58.095 60.418 -2.323 25447 3863 1 10 . 1 1 15 15 PHE CB C 15 42.095 42.095 40.756 1.339 25447 3864 1 10 . 1 1 15 15 PHE H H 15 7.908 7.908 7.905 0.003 25447 3865 1 10 . 1 1 16 16 LEU N N 16 121.492 121.492 120.458 1.034 25447 3866 1 10 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.722 0.245 25447 3867 1 10 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.044 0.333 25447 3868 1 10 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.112 1.621 25447 3869 1 10 . 1 1 16 16 LEU H H 16 8.015 8.015 8.425 -0.410 25447 3870 1 10 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.404 -0.021 25447 3871 1 10 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.309 0.549 25447 3872 1 10 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.754 0.075 25447 3873 1 10 . 1 1 18 18 ASP N N 18 116.508 116.508 118.245 -1.737 25447 3874 1 10 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.719 -0.151 25447 3875 1 10 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.995 0.693 25447 3876 1 10 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.699 -0.073 25447 3877 1 10 . 1 1 18 18 ASP H H 18 8.399 8.399 8.545 -0.146 25447 3878 1 10 . 1 1 19 19 VAL N N 19 122.135 122.135 120.092 2.043 25447 3879 1 10 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.138 -0.020 25447 3880 1 10 . 1 1 19 19 VAL CA C 19 61.293 61.293 61.058 0.235 25447 3881 1 10 . 1 1 19 19 VAL CB C 19 33.582 33.582 34.336 -0.754 25447 3882 1 10 . 1 1 19 19 VAL H H 19 7.760 7.760 7.334 0.426 25447 3883 1 10 . 1 1 20 20 ALA N N 20 129.301 129.301 129.911 -0.610 25447 3884 1 10 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.635 -0.036 25447 3885 1 10 . 1 1 20 20 ALA CA C 20 50.270 50.270 49.850 0.420 25447 3886 1 10 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.457 -1.029 25447 3887 1 10 . 1 1 20 20 ALA H H 20 8.761 8.761 8.452 0.309 25447 3888 1 10 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.130 -0.053 25447 3889 1 10 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.609 0.594 25447 3890 1 10 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.798 -0.390 25447 3891 1 10 . 1 1 22 22 ALA N N 22 116.106 116.106 118.296 -2.190 25447 3892 1 10 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.086 0.031 25447 3893 1 10 . 1 1 22 22 ALA CA C 22 53.996 53.996 53.957 0.039 25447 3894 1 10 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.250 0.594 25447 3895 1 10 . 1 1 22 22 ALA H H 22 8.064 8.064 8.262 -0.198 25447 3896 1 10 . 1 1 23 23 ASP N N 23 115.541 115.541 115.814 -0.273 25447 3897 1 10 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.609 0.068 25447 3898 1 10 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.827 0.509 25447 3899 1 10 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.630 0.723 25447 3900 1 10 . 1 1 23 23 ASP H H 23 8.003 8.003 8.056 -0.053 25447 3901 1 10 . 1 1 24 24 VAL N N 24 121.517 121.517 120.981 0.536 25447 3902 1 10 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.163 -0.342 25447 3903 1 10 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.421 0.924 25447 3904 1 10 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.965 -1.232 25447 3905 1 10 . 1 1 24 24 VAL H H 24 7.069 7.069 7.536 -0.467 25447 3906 1 10 . 1 1 25 25 ASP N N 25 129.329 129.329 126.938 2.391 25447 3907 1 10 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.730 -0.156 25447 3908 1 10 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.228 1.338 25447 3909 1 10 . 1 1 25 25 ASP CB C 25 42.333 42.333 42.093 0.240 25447 3910 1 10 . 1 1 25 25 ASP H H 25 8.474 8.474 8.668 -0.194 25447 3911 1 10 . 1 1 26 26 VAL N N 26 121.920 121.920 125.694 -3.774 25447 3912 1 10 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.965 0.143 25447 3913 1 10 . 1 1 26 26 VAL CA C 26 64.518 64.518 62.916 1.602 25447 3914 1 10 . 1 1 26 26 VAL CB C 26 31.198 31.198 32.144 -0.946 25447 3915 1 10 . 1 1 26 26 VAL H H 26 8.591 8.591 8.707 -0.116 25447 3916 1 10 . 1 1 27 27 ASP N N 27 116.286 116.286 118.826 -2.540 25447 3917 1 10 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.758 0.387 25447 3918 1 10 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.279 -0.097 25447 3919 1 10 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.383 1.192 25447 3920 1 10 . 1 1 27 27 ASP H H 27 8.609 8.609 8.106 0.503 25447 3921 1 10 . 1 1 28 28 LEU N N 28 125.116 125.116 122.412 2.704 25447 3922 1 10 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.506 -0.495 25447 3923 1 10 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.234 1.853 25447 3924 1 10 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.132 -0.811 25447 3925 1 10 . 1 1 28 28 LEU H H 28 7.374 7.374 7.370 0.004 25447 3926 1 10 . 1 1 29 29 ASP N N 29 125.924 125.924 124.572 1.352 25447 3927 1 10 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.691 0.143 25447 3928 1 10 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.576 -0.656 25447 3929 1 10 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.358 0.021 25447 3930 1 10 . 1 1 29 29 ASP H H 29 8.699 8.699 8.569 0.130 25447 3931 1 10 . 1 1 30 30 LEU N N 30 129.975 129.975 123.541 6.434 25447 3932 1 10 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.066 -0.149 25447 3933 1 10 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.576 -1.188 25447 3934 1 10 . 1 1 30 30 LEU CB C 30 42.239 42.239 41.834 0.405 25447 3935 1 10 . 1 1 30 30 LEU H H 30 9.718 9.718 8.024 1.694 25447 3936 1 10 . 1 1 31 31 VAL N N 31 121.212 121.212 116.463 4.749 25447 3937 1 10 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.570 0.623 25447 3938 1 10 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.029 -1.597 25447 3939 1 10 . 1 1 31 31 VAL CB C 31 32.175 32.175 30.800 1.375 25447 3940 1 10 . 1 1 31 31 VAL H H 31 8.163 8.163 7.444 0.719 25447 3941 1 10 . 1 1 32 32 ASP N N 32 124.893 124.893 118.886 6.007 25447 3942 1 10 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.372 -0.014 25447 3943 1 10 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.508 0.717 25447 3944 1 10 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.118 0.617 25447 3945 1 10 . 1 1 32 32 ASP H H 32 9.385 9.385 8.498 0.887 25447 3946 1 10 . 1 1 33 33 ASN N N 33 111.484 111.484 116.259 -4.775 25447 3947 1 10 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.597 0.123 25447 3948 1 10 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.760 0.126 25447 3949 1 10 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.188 -0.182 25447 3950 1 10 . 1 1 33 33 ASN H H 33 7.396 7.396 7.449 -0.053 25447 3951 1 10 . 1 1 34 34 GLY N N 34 106.957 106.957 106.037 0.920 25447 3952 1 10 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.669 0.938 25447 3953 1 10 . 1 1 34 34 GLY H H 34 7.618 7.618 8.356 -0.738 25447 3954 1 10 . 1 1 35 35 VAL N N 35 120.424 120.424 118.638 1.786 25447 3955 1 10 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.401 0.365 25447 3956 1 10 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.218 0.907 25447 3957 1 10 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.594 0.285 25447 3958 1 10 . 1 1 35 35 VAL H H 35 7.792 7.792 7.338 0.454 25447 3959 1 10 . 1 1 36 36 ILE N N 36 116.364 116.364 121.290 -4.926 25447 3960 1 10 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.730 0.007 25447 3961 1 10 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.958 -1.273 25447 3962 1 10 . 1 1 36 36 ILE CB C 36 38.807 38.807 36.507 2.300 25447 3963 1 10 . 1 1 36 36 ILE H H 36 7.331 7.331 7.687 -0.356 25447 3964 1 10 . 1 1 37 37 ASP N N 37 127.306 127.306 128.046 -0.740 25447 3965 1 10 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.889 -0.225 25447 3966 1 10 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.672 -1.056 25447 3967 1 10 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.968 -1.759 25447 3968 1 10 . 1 1 37 37 ASP H H 37 7.874 7.874 7.715 0.159 25447 3969 1 10 . 1 1 38 38 ALA N N 38 120.352 120.352 123.483 -3.131 25447 3970 1 10 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.036 -0.041 25447 3971 1 10 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.534 0.758 25447 3972 1 10 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.687 -0.375 25447 3973 1 10 . 1 1 38 38 ALA H H 38 8.244 8.244 8.499 -0.255 25447 3974 1 10 . 1 1 39 39 LEU N N 39 117.438 117.438 119.152 -1.714 25447 3975 1 10 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.251 -0.001 25447 3976 1 10 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.493 -0.138 25447 3977 1 10 . 1 1 39 39 LEU CB C 39 41.236 41.236 40.932 0.304 25447 3978 1 10 . 1 1 39 39 LEU H H 39 7.688 7.688 8.355 -0.667 25447 3979 1 10 . 1 1 40 40 GLY N N 40 112.015 112.015 107.793 4.222 25447 3980 1 10 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.236 0.863 25447 3981 1 10 . 1 1 40 40 GLY H H 40 8.732 8.732 8.144 0.588 25447 3982 1 10 . 1 1 41 41 LEU N N 41 122.983 122.983 122.894 0.089 25447 3983 1 10 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.999 -0.148 25447 3984 1 10 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.495 0.837 25447 3985 1 10 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.941 -0.302 25447 3986 1 10 . 1 1 41 41 LEU H H 41 8.548 8.548 8.598 -0.050 25447 3987 1 10 . 1 1 42 42 LEU N N 42 116.076 116.076 119.954 -3.878 25447 3988 1 10 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.900 0.128 25447 3989 1 10 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.512 -0.448 25447 3990 1 10 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.811 -0.871 25447 3991 1 10 . 1 1 42 42 LEU H H 42 7.168 7.168 7.610 -0.442 25447 3992 1 10 . 1 1 43 43 LYS N N 43 119.831 119.831 118.818 1.013 25447 3993 1 10 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.058 0.226 25447 3994 1 10 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.971 -0.327 25447 3995 1 10 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.343 0.184 25447 3996 1 10 . 1 1 43 43 LYS H H 43 7.640 7.640 8.272 -0.632 25447 3997 1 10 . 1 1 44 44 VAL N N 44 121.046 121.046 120.414 0.632 25447 3998 1 10 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.094 -0.145 25447 3999 1 10 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.721 -0.078 25447 4000 1 10 . 1 1 44 44 VAL H H 44 8.269 8.269 7.877 0.392 25447 4001 1 10 . 1 1 45 45 ILE N N 45 119.333 119.333 119.849 -0.516 25447 4002 1 10 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.674 -0.270 25447 4003 1 10 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.011 2.137 25447 4004 1 10 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.299 0.978 25447 4005 1 10 . 1 1 45 45 ILE H H 45 8.145 8.145 7.777 0.368 25447 4006 1 10 . 1 1 46 46 ALA N N 46 121.213 121.213 123.522 -2.309 25447 4007 1 10 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.492 -0.235 25447 4008 1 10 . 1 1 46 46 ALA CA C 46 55.164 55.164 54.870 0.294 25447 4009 1 10 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.621 -0.253 25447 4010 1 10 . 1 1 46 46 ALA H H 46 7.792 7.792 8.010 -0.218 25447 4011 1 10 . 1 1 47 47 TRP N N 47 121.416 121.416 120.479 0.937 25447 4012 1 10 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.529 -0.295 25447 4013 1 10 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.635 2.035 25447 4014 1 10 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.569 -1.330 25447 4015 1 10 . 1 1 47 47 TRP H H 47 8.093 8.093 8.076 0.017 25447 4016 1 10 . 1 1 48 48 LEU N N 48 118.963 118.963 121.138 -2.175 25447 4017 1 10 . 1 1 48 48 LEU HA H 48 3.586 3.586 3.009 0.577 25447 4018 1 10 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.817 0.378 25447 4019 1 10 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.508 0.743 25447 4020 1 10 . 1 1 48 48 LEU H H 48 8.693 8.693 7.576 1.117 25447 4021 1 10 . 1 1 49 49 GLU N N 49 119.131 119.131 117.249 1.882 25447 4022 1 10 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.971 0.079 25447 4023 1 10 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.031 0.831 25447 4024 1 10 . 1 1 49 49 GLU CB C 49 29.586 29.586 29.037 0.549 25447 4025 1 10 . 1 1 49 49 GLU H H 49 7.771 7.771 7.851 -0.080 25447 4026 1 10 . 1 1 50 50 ASP N N 50 119.941 119.941 121.066 -1.125 25447 4027 1 10 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.442 -0.205 25447 4028 1 10 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.337 1.018 25447 4029 1 10 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.778 1.605 25447 4030 1 10 . 1 1 50 50 ASP H H 50 7.697 7.697 7.705 -0.008 25447 4031 1 10 . 1 1 51 51 ARG N N 51 116.911 116.911 117.904 -0.993 25447 4032 1 10 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.008 -0.272 25447 4033 1 10 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.424 -2.060 25447 4034 1 10 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.396 -1.081 25447 4035 1 10 . 1 1 51 51 ARG H H 51 8.881 8.881 7.788 1.093 25447 4036 1 10 . 1 1 52 52 PHE N N 52 112.328 112.328 116.415 -4.087 25447 4037 1 10 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.672 0.003 25447 4038 1 10 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.886 -0.473 25447 4039 1 10 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.268 1.624 25447 4040 1 10 . 1 1 52 52 PHE H H 52 7.284 7.284 7.641 -0.357 25447 4041 1 10 . 1 1 53 53 GLY N N 53 109.826 109.826 109.012 0.814 25447 4042 1 10 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.695 1.106 25447 4043 1 10 . 1 1 53 53 GLY H H 53 7.427 7.427 7.957 -0.530 25447 4044 1 10 . 1 1 54 54 ILE N N 54 119.127 119.127 114.741 4.386 25447 4045 1 10 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.499 -0.548 25447 4046 1 10 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.322 1.363 25447 4047 1 10 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.632 -0.142 25447 4048 1 10 . 1 1 54 54 ILE H H 54 6.876 6.876 7.437 -0.561 25447 4049 1 10 . 1 1 55 55 ALA N N 55 129.823 129.823 123.638 6.185 25447 4050 1 10 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.641 -0.227 25447 4051 1 10 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.484 1.126 25447 4052 1 10 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.320 -1.058 25447 4053 1 10 . 1 1 55 55 ALA H H 55 8.499 8.499 8.274 0.225 25447 4054 1 10 . 1 1 56 56 ALA N N 56 126.300 126.300 125.293 1.007 25447 4055 1 10 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.070 0.199 25447 4056 1 10 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.762 -1.288 25447 4057 1 10 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.766 0.478 25447 4058 1 10 . 1 1 56 56 ALA H H 56 8.641 8.641 8.826 -0.185 25447 4059 1 10 . 1 1 57 57 ASP N N 57 116.395 116.395 116.466 -0.071 25447 4060 1 10 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.355 0.124 25447 4061 1 10 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.342 -1.115 25447 4062 1 10 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.103 0.819 25447 4063 1 10 . 1 1 57 57 ASP H H 57 8.337 8.337 8.469 -0.132 25447 4064 1 10 . 1 1 58 58 ASP N N 58 118.557 118.557 119.145 -0.588 25447 4065 1 10 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.449 0.187 25447 4066 1 10 . 1 1 58 58 ASP CA C 58 55.144 55.144 56.011 -0.867 25447 4067 1 10 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.341 0.163 25447 4068 1 10 . 1 1 58 58 ASP H H 58 8.027 8.027 7.845 0.182 25447 4069 1 10 . 1 1 59 59 VAL N N 59 118.898 118.898 113.194 5.704 25447 4070 1 10 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.412 -0.236 25447 4071 1 10 . 1 1 59 59 VAL CA C 59 62.300 62.300 60.106 2.194 25447 4072 1 10 . 1 1 59 59 VAL CB C 59 33.078 33.078 35.221 -2.143 25447 4073 1 10 . 1 1 59 59 VAL H H 59 7.716 7.716 7.504 0.212 25447 4074 1 10 . 1 1 60 60 GLU N N 60 122.888 122.888 122.395 0.493 25447 4075 1 10 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.588 -0.304 25447 4076 1 10 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.546 1.000 25447 4077 1 10 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.694 -0.912 25447 4078 1 10 . 1 1 60 60 GLU H H 60 8.367 8.367 8.383 -0.016 25447 4079 1 10 . 1 1 61 61 LEU N N 61 124.827 124.827 125.269 -0.442 25447 4080 1 10 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.588 -0.230 25447 4081 1 10 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.177 0.639 25447 4082 1 10 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.021 -1.084 25447 4083 1 10 . 1 1 61 61 LEU H H 61 8.198 8.198 8.552 -0.354 25447 4084 1 10 . 1 1 62 62 SER N N 62 118.715 118.715 119.317 -0.602 25447 4085 1 10 . 1 1 62 62 SER HA H 62 4.809 4.809 4.976 -0.167 25447 4086 1 10 . 1 1 62 62 SER CA C 62 55.732 55.732 55.180 0.552 25447 4087 1 10 . 1 1 62 62 SER CB C 62 64.017 64.017 64.546 -0.529 25447 4088 1 10 . 1 1 62 62 SER H H 62 8.137 8.137 8.317 -0.180 25447 4089 1 10 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.177 0.076 25447 4090 1 10 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.201 -0.305 25447 4091 1 10 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.821 0.231 25447 4092 1 10 . 1 1 64 64 GLU N N 64 116.554 116.554 118.906 -2.352 25447 4093 1 10 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.114 -0.241 25447 4094 1 10 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.970 -0.251 25447 4095 1 10 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.159 -0.478 25447 4096 1 10 . 1 1 64 64 GLU H H 64 8.316 8.316 8.515 -0.199 25447 4097 1 10 . 1 1 65 65 HIS N N 65 115.487 115.487 119.545 -4.058 25447 4098 1 10 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.214 0.066 25447 4099 1 10 . 1 1 65 65 HIS CA C 65 57.652 57.652 57.958 -0.306 25447 4100 1 10 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.590 0.292 25447 4101 1 10 . 1 1 65 65 HIS H H 65 7.274 7.274 8.034 -0.760 25447 4102 1 10 . 1 1 66 66 PHE N N 66 116.127 116.127 116.548 -0.421 25447 4103 1 10 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.368 0.398 25447 4104 1 10 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.741 -1.959 25447 4105 1 10 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.592 1.316 25447 4106 1 10 . 1 1 66 66 PHE H H 66 7.239 7.239 7.693 -0.454 25447 4107 1 10 . 1 1 67 67 ARG N N 67 112.468 112.468 119.403 -6.935 25447 4108 1 10 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.937 0.148 25447 4109 1 10 . 1 1 67 67 ARG CA C 67 58.287 58.287 58.964 -0.677 25447 4110 1 10 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.463 1.297 25447 4111 1 10 . 1 1 67 67 ARG H H 67 6.628 6.628 7.911 -1.283 25447 4112 1 10 . 1 1 68 68 SER N N 68 109.305 109.305 110.942 -1.637 25447 4113 1 10 . 1 1 68 68 SER HA H 68 4.980 4.980 4.652 0.328 25447 4114 1 10 . 1 1 68 68 SER CA C 68 55.785 55.785 56.481 -0.696 25447 4115 1 10 . 1 1 68 68 SER CB C 68 67.691 67.691 65.192 2.499 25447 4116 1 10 . 1 1 68 68 SER H H 68 8.145 8.145 7.596 0.549 25447 4117 1 10 . 1 1 69 69 ILE N N 69 122.602 122.602 124.952 -2.350 25447 4118 1 10 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.753 -0.077 25447 4119 1 10 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.177 1.577 25447 4120 1 10 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.349 -0.053 25447 4121 1 10 . 1 1 69 69 ILE H H 69 9.775 9.775 9.182 0.593 25447 4122 1 10 . 1 1 70 70 ARG N N 70 118.764 118.764 118.955 -0.191 25447 4123 1 10 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.992 -0.037 25447 4124 1 10 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.715 0.818 25447 4125 1 10 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.218 1.200 25447 4126 1 10 . 1 1 70 70 ARG H H 70 8.910 8.910 7.924 0.986 25447 4127 1 10 . 1 1 71 71 SER N N 71 117.670 117.670 115.469 2.201 25447 4128 1 10 . 1 1 71 71 SER HA H 71 4.330 4.330 4.326 0.004 25447 4129 1 10 . 1 1 71 71 SER CA C 71 62.287 62.287 61.500 0.787 25447 4130 1 10 . 1 1 71 71 SER CB C 71 63.278 63.278 62.788 0.490 25447 4131 1 10 . 1 1 71 71 SER H H 71 8.518 8.518 7.453 1.065 25447 4132 1 10 . 1 1 72 72 ILE N N 72 127.447 127.447 124.776 2.671 25447 4133 1 10 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.885 0.025 25447 4134 1 10 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.400 1.411 25447 4135 1 10 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.704 0.694 25447 4136 1 10 . 1 1 72 72 ILE H H 72 8.762 8.762 7.857 0.905 25447 4137 1 10 . 1 1 73 73 ASP N N 73 121.636 121.636 119.901 1.735 25447 4138 1 10 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.348 -0.335 25447 4139 1 10 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.293 1.855 25447 4140 1 10 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.714 2.826 25447 4141 1 10 . 1 1 73 73 ASP H H 73 8.677 8.677 7.914 0.763 25447 4142 1 10 . 1 1 74 74 ALA N N 74 118.793 118.793 121.824 -3.031 25447 4143 1 10 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.023 0.021 25447 4144 1 10 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.109 0.212 25447 4145 1 10 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.522 -0.577 25447 4146 1 10 . 1 1 74 74 ALA H H 74 8.005 8.005 7.758 0.247 25447 4147 1 10 . 1 1 75 75 PHE N N 75 121.235 121.235 120.083 1.152 25447 4148 1 10 . 1 1 75 75 PHE HA H 75 4.038 4.038 3.993 0.045 25447 4149 1 10 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.917 -0.902 25447 4150 1 10 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.272 -0.435 25447 4151 1 10 . 1 1 75 75 PHE H H 75 8.353 8.353 8.542 -0.189 25447 4152 1 10 . 1 1 76 76 VAL N N 76 120.866 120.866 118.993 1.873 25447 4153 1 10 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.289 -0.346 25447 4154 1 10 . 1 1 76 76 VAL CA C 76 66.901 66.901 67.082 -0.181 25447 4155 1 10 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.424 -0.177 25447 4156 1 10 . 1 1 76 76 VAL H H 76 8.544 8.544 7.911 0.633 25447 4157 1 10 . 1 1 77 77 VAL N N 77 121.408 121.408 119.829 1.579 25447 4158 1 10 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.781 -0.286 25447 4159 1 10 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.150 0.684 25447 4160 1 10 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.239 0.691 25447 4161 1 10 . 1 1 77 77 VAL H H 77 8.708 8.708 8.318 0.390 25447 4162 1 10 . 1 1 78 78 GLY N N 78 106.402 106.402 107.214 -0.812 25447 4163 1 10 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.145 -0.305 25447 4164 1 10 . 1 1 78 78 GLY H H 78 7.945 7.945 8.532 -0.587 25447 4165 1 10 . 1 1 79 79 ALA N N 79 121.146 121.146 122.620 -1.474 25447 4166 1 10 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.954 0.253 25447 4167 1 10 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.224 -1.296 25447 4168 1 10 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.198 1.063 25447 4169 1 10 . 1 1 79 79 ALA H H 79 7.639 7.639 7.505 0.134 25447 4170 1 10 . 1 1 80 80 THR N N 80 107.668 107.668 109.351 -1.683 25447 4171 1 10 . 1 1 80 80 THR HA H 80 4.443 4.443 4.186 0.257 25447 4172 1 10 . 1 1 80 80 THR CA C 80 61.406 61.406 63.187 -1.781 25447 4173 1 10 . 1 1 80 80 THR CB C 80 70.767 70.767 69.655 1.112 25447 4174 1 10 . 1 1 80 80 THR H H 80 7.449 7.449 7.751 -0.302 25447 4175 1 10 . 1 1 81 81 THR N N 81 119.953 119.953 116.120 3.833 25447 4176 1 10 . 1 1 81 81 THR HA H 81 4.665 4.665 4.827 -0.162 25447 4177 1 10 . 1 1 81 81 THR CA C 81 60.412 60.412 58.577 1.835 25447 4178 1 10 . 1 1 81 81 THR CB C 81 70.113 70.113 70.055 0.058 25447 4179 1 10 . 1 1 81 81 THR H H 81 7.685 7.685 8.002 -0.317 25447 4180 1 10 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.594 0.095 25447 4181 1 10 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.023 -0.334 25447 4182 1 10 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.618 0.351 25447 4183 1 10 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.502 -0.021 25447 4184 1 10 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.138 0.793 25447 4185 1 10 . 1 1 83 83 PRO CB C 83 32.193 32.193 33.013 -0.820 25447 4186 1 10 . 1 1 84 84 VAL N N 84 120.691 120.691 121.203 -0.512 25447 4187 1 10 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.155 -0.062 25447 4188 1 10 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.616 0.723 25447 4189 1 10 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.658 0.193 25447 4190 1 10 . 1 1 84 84 VAL H H 84 8.257 8.257 8.204 0.053 25447 4191 1 10 . 1 1 85 85 GLU N N 85 127.655 127.655 125.790 1.865 25447 4192 1 10 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.851 0.433 25447 4193 1 10 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.441 0.313 25447 4194 1 10 . 1 1 85 85 GLU CB C 85 30.559 30.559 29.117 1.442 25447 4195 1 10 . 1 1 85 85 GLU H H 85 8.202 8.202 8.703 -0.501 25447 4196 1 10 . 1 1 86 86 ALA N N 86 126.437 126.437 123.701 2.736 25447 4197 1 10 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.322 -0.271 25447 4198 1 10 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.137 0.011 25447 4199 1 10 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.718 -0.258 25447 4200 1 10 . 1 1 86 86 ALA H H 86 8.323 8.323 8.242 0.081 25447 4201 1 10 . 1 1 87 87 LYS N N 87 121.796 121.796 122.010 -0.214 25447 4202 1 10 . 1 1 87 87 LYS HA H 87 4.347 4.347 3.982 0.365 25447 4203 1 10 . 1 1 87 87 LYS CA C 87 56.297 56.297 58.647 -2.350 25447 4204 1 10 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.559 0.717 25447 4205 1 10 . 1 1 87 87 LYS H H 87 8.333 8.333 8.429 -0.096 25447 4206 1 10 . 1 1 88 88 LEU N N 88 125.576 125.576 119.903 5.673 25447 4207 1 10 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.159 -0.252 25447 4208 1 10 . 1 1 88 88 LEU CA C 88 55.772 55.772 56.595 -0.823 25447 4209 1 10 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.181 0.291 25447 4210 1 10 . 1 1 88 88 LEU H H 88 8.444 8.444 8.002 0.442 25447 4211 1 11 . 1 1 1 1 MET N N 1 120.668 120.668 121.188 -0.520 25447 4212 1 11 . 1 1 1 1 MET HA H 1 4.484 4.484 4.180 0.304 25447 4213 1 11 . 1 1 1 1 MET CA C 1 55.257 55.257 57.268 -2.011 25447 4214 1 11 . 1 1 1 1 MET CB C 1 34.517 34.517 33.322 1.195 25447 4215 1 11 . 1 1 1 1 MET H H 1 8.313 8.313 8.434 -0.121 25447 4216 1 11 . 1 1 2 2 GLN N N 2 123.739 123.739 114.419 9.320 25447 4217 1 11 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.677 0.353 25447 4218 1 11 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.280 1.594 25447 4219 1 11 . 1 1 2 2 GLN CB C 2 29.938 29.938 26.998 2.940 25447 4220 1 11 . 1 1 2 2 GLN H H 2 9.455 9.455 8.267 1.188 25447 4221 1 11 . 1 1 3 3 HIS N N 3 119.115 119.115 110.205 8.910 25447 4222 1 11 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.417 0.699 25447 4223 1 11 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.217 -0.723 25447 4224 1 11 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.484 3.531 25447 4225 1 11 . 1 1 3 3 HIS H H 3 9.783 9.783 8.183 1.600 25447 4226 1 11 . 1 1 4 4 ALA N N 4 122.648 122.648 122.212 0.436 25447 4227 1 11 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.134 -0.231 25447 4228 1 11 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.295 1.184 25447 4229 1 11 . 1 1 4 4 ALA CB C 4 19.194 19.194 19.033 0.161 25447 4230 1 11 . 1 1 4 4 ALA H H 4 7.551 7.551 8.044 -0.493 25447 4231 1 11 . 1 1 5 5 SER N N 5 112.599 112.599 114.300 -1.701 25447 4232 1 11 . 1 1 5 5 SER HA H 5 4.298 4.298 4.250 0.048 25447 4233 1 11 . 1 1 5 5 SER CA C 5 62.117 62.117 60.922 1.195 25447 4234 1 11 . 1 1 5 5 SER CB C 5 62.334 62.334 62.325 0.009 25447 4235 1 11 . 1 1 5 5 SER H H 5 8.736 8.736 8.261 0.475 25447 4236 1 11 . 1 1 6 6 VAL N N 6 122.866 122.866 121.935 0.931 25447 4237 1 11 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.806 0.299 25447 4238 1 11 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.492 -0.760 25447 4239 1 11 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.505 1.232 25447 4240 1 11 . 1 1 6 6 VAL H H 6 7.660 7.660 7.987 -0.327 25447 4241 1 11 . 1 1 7 7 ILE N N 7 121.715 121.715 120.190 1.525 25447 4242 1 11 . 1 1 7 7 ILE HA H 7 4.224 4.224 3.995 0.229 25447 4243 1 11 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.899 -0.570 25447 4244 1 11 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.495 1.198 25447 4245 1 11 . 1 1 7 7 ILE H H 7 8.519 8.519 7.645 0.874 25447 4246 1 11 . 1 1 8 8 ALA N N 8 121.373 121.373 121.324 0.049 25447 4247 1 11 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.021 -0.126 25447 4248 1 11 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.342 0.915 25447 4249 1 11 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.057 0.583 25447 4250 1 11 . 1 1 8 8 ALA H H 8 8.940 8.940 7.950 0.990 25447 4251 1 11 . 1 1 9 9 GLN N N 9 115.076 115.076 119.117 -4.041 25447 4252 1 11 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.996 -0.126 25447 4253 1 11 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.889 0.303 25447 4254 1 11 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.692 -0.554 25447 4255 1 11 . 1 1 9 9 GLN H H 9 7.729 7.729 8.251 -0.522 25447 4256 1 11 . 1 1 10 10 PHE N N 10 120.207 120.207 119.513 0.694 25447 4257 1 11 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.913 0.172 25447 4258 1 11 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.931 -1.038 25447 4259 1 11 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.700 0.232 25447 4260 1 11 . 1 1 10 10 PHE H H 10 7.301 7.301 8.248 -0.947 25447 4261 1 11 . 1 1 11 11 VAL N N 11 117.569 117.569 116.706 0.863 25447 4262 1 11 . 1 1 11 11 VAL HA H 11 3.307 3.307 4.097 -0.790 25447 4263 1 11 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.922 0.586 25447 4264 1 11 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.761 -0.274 25447 4265 1 11 . 1 1 11 11 VAL H H 11 8.370 8.370 7.788 0.582 25447 4266 1 11 . 1 1 12 12 VAL N N 12 117.909 117.909 120.590 -2.681 25447 4267 1 11 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.634 0.107 25447 4268 1 11 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.924 -1.048 25447 4269 1 11 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.459 -0.147 25447 4270 1 11 . 1 1 12 12 VAL H H 12 8.294 8.294 7.975 0.319 25447 4271 1 11 . 1 1 13 13 GLU N N 13 117.918 117.918 117.849 0.069 25447 4272 1 11 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.991 -0.249 25447 4273 1 11 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.241 1.066 25447 4274 1 11 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.172 0.317 25447 4275 1 11 . 1 1 13 13 GLU H H 13 7.750 7.750 8.378 -0.628 25447 4276 1 11 . 1 1 14 14 GLU N N 14 113.478 113.478 117.723 -4.245 25447 4277 1 11 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.140 -0.362 25447 4278 1 11 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.875 -2.075 25447 4279 1 11 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.199 -0.556 25447 4280 1 11 . 1 1 14 14 GLU H H 14 7.603 7.603 7.968 -0.365 25447 4281 1 11 . 1 1 15 15 PHE N N 15 114.193 114.193 114.302 -0.109 25447 4282 1 11 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.623 0.316 25447 4283 1 11 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.562 -0.467 25447 4284 1 11 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.385 -0.289 25447 4285 1 11 . 1 1 15 15 PHE H H 15 7.908 7.908 7.501 0.407 25447 4286 1 11 . 1 1 16 16 LEU N N 16 121.492 121.492 121.896 -0.404 25447 4287 1 11 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.821 0.146 25447 4288 1 11 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.210 0.167 25447 4289 1 11 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.392 1.341 25447 4290 1 11 . 1 1 16 16 LEU H H 16 8.015 8.015 7.926 0.089 25447 4291 1 11 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.440 -0.057 25447 4292 1 11 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.809 1.049 25447 4293 1 11 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.830 -0.001 25447 4294 1 11 . 1 1 18 18 ASP N N 18 116.508 116.508 118.215 -1.707 25447 4295 1 11 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.692 -0.124 25447 4296 1 11 . 1 1 18 18 ASP CA C 18 54.688 54.688 54.046 0.642 25447 4297 1 11 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.569 0.057 25447 4298 1 11 . 1 1 18 18 ASP H H 18 8.399 8.399 8.549 -0.150 25447 4299 1 11 . 1 1 19 19 VAL N N 19 122.135 122.135 120.560 1.575 25447 4300 1 11 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.140 -0.022 25447 4301 1 11 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.609 0.684 25447 4302 1 11 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.134 0.448 25447 4303 1 11 . 1 1 19 19 VAL H H 19 7.760 7.760 7.218 0.542 25447 4304 1 11 . 1 1 20 20 ALA N N 20 129.301 129.301 130.814 -1.513 25447 4305 1 11 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.545 0.054 25447 4306 1 11 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.202 0.068 25447 4307 1 11 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.397 -0.969 25447 4308 1 11 . 1 1 20 20 ALA H H 20 8.761 8.761 8.466 0.295 25447 4309 1 11 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.183 -0.106 25447 4310 1 11 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.532 0.671 25447 4311 1 11 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.829 -0.421 25447 4312 1 11 . 1 1 22 22 ALA N N 22 116.106 116.106 118.358 -2.252 25447 4313 1 11 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.157 -0.040 25447 4314 1 11 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.039 -0.043 25447 4315 1 11 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.371 0.473 25447 4316 1 11 . 1 1 22 22 ALA H H 22 8.064 8.064 8.001 0.063 25447 4317 1 11 . 1 1 23 23 ASP N N 23 115.541 115.541 116.421 -0.880 25447 4318 1 11 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.578 0.099 25447 4319 1 11 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.652 0.684 25447 4320 1 11 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.431 0.922 25447 4321 1 11 . 1 1 23 23 ASP H H 23 8.003 8.003 8.109 -0.106 25447 4322 1 11 . 1 1 24 24 VAL N N 24 121.517 121.517 120.855 0.662 25447 4323 1 11 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.121 -0.300 25447 4324 1 11 . 1 1 24 24 VAL CA C 24 62.345 62.345 62.061 0.284 25447 4325 1 11 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.111 -1.378 25447 4326 1 11 . 1 1 24 24 VAL H H 24 7.069 7.069 7.463 -0.394 25447 4327 1 11 . 1 1 25 25 ASP N N 25 129.329 129.329 126.249 3.080 25447 4328 1 11 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.768 -0.194 25447 4329 1 11 . 1 1 25 25 ASP CA C 25 54.566 54.566 52.807 1.759 25447 4330 1 11 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.869 0.464 25447 4331 1 11 . 1 1 25 25 ASP H H 25 8.474 8.474 8.669 -0.195 25447 4332 1 11 . 1 1 26 26 VAL N N 26 121.920 121.920 121.168 0.752 25447 4333 1 11 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.074 0.034 25447 4334 1 11 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.456 1.062 25447 4335 1 11 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.347 -0.149 25447 4336 1 11 . 1 1 26 26 VAL H H 26 8.591 8.591 8.685 -0.094 25447 4337 1 11 . 1 1 27 27 ASP N N 27 116.286 116.286 119.748 -3.462 25447 4338 1 11 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.672 0.473 25447 4339 1 11 . 1 1 27 27 ASP CA C 27 54.181 54.181 55.298 -1.117 25447 4340 1 11 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.091 1.484 25447 4341 1 11 . 1 1 27 27 ASP H H 27 8.609 8.609 8.148 0.461 25447 4342 1 11 . 1 1 28 28 LEU N N 28 125.116 125.116 121.898 3.218 25447 4343 1 11 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.511 -0.500 25447 4344 1 11 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.137 1.950 25447 4345 1 11 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.240 -0.919 25447 4346 1 11 . 1 1 28 28 LEU H H 28 7.374 7.374 7.431 -0.057 25447 4347 1 11 . 1 1 29 29 ASP N N 29 125.924 125.924 124.833 1.091 25447 4348 1 11 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.651 0.183 25447 4349 1 11 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.035 -1.115 25447 4350 1 11 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.417 -0.038 25447 4351 1 11 . 1 1 29 29 ASP H H 29 8.699 8.699 8.629 0.070 25447 4352 1 11 . 1 1 30 30 LEU N N 30 129.975 129.975 123.406 6.569 25447 4353 1 11 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.135 -0.218 25447 4354 1 11 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.509 -1.121 25447 4355 1 11 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.455 -0.216 25447 4356 1 11 . 1 1 30 30 LEU H H 30 9.718 9.718 8.248 1.470 25447 4357 1 11 . 1 1 31 31 VAL N N 31 121.212 121.212 117.625 3.587 25447 4358 1 11 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.669 0.524 25447 4359 1 11 . 1 1 31 31 VAL CA C 31 64.433 64.433 65.772 -1.339 25447 4360 1 11 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.065 1.110 25447 4361 1 11 . 1 1 31 31 VAL H H 31 8.163 8.163 7.788 0.375 25447 4362 1 11 . 1 1 32 32 ASP N N 32 124.893 124.893 118.751 6.142 25447 4363 1 11 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.323 0.035 25447 4364 1 11 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.765 0.460 25447 4365 1 11 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.120 0.615 25447 4366 1 11 . 1 1 32 32 ASP H H 32 9.385 9.385 8.738 0.647 25447 4367 1 11 . 1 1 33 33 ASN N N 33 111.484 111.484 116.338 -4.854 25447 4368 1 11 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.600 0.120 25447 4369 1 11 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.672 0.214 25447 4370 1 11 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.056 -0.050 25447 4371 1 11 . 1 1 33 33 ASN H H 33 7.396 7.396 7.651 -0.255 25447 4372 1 11 . 1 1 34 34 GLY N N 34 106.957 106.957 105.783 1.174 25447 4373 1 11 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.803 0.804 25447 4374 1 11 . 1 1 34 34 GLY H H 34 7.618 7.618 7.962 -0.344 25447 4375 1 11 . 1 1 35 35 VAL N N 35 120.424 120.424 118.568 1.856 25447 4376 1 11 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.638 0.128 25447 4377 1 11 . 1 1 35 35 VAL CA C 35 65.125 65.125 65.018 0.107 25447 4378 1 11 . 1 1 35 35 VAL CB C 35 31.879 31.879 32.173 -0.294 25447 4379 1 11 . 1 1 35 35 VAL H H 35 7.792 7.792 7.879 -0.087 25447 4380 1 11 . 1 1 36 36 ILE N N 36 116.364 116.364 119.631 -3.267 25447 4381 1 11 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.976 -0.239 25447 4382 1 11 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.255 -0.570 25447 4383 1 11 . 1 1 36 36 ILE CB C 36 38.807 38.807 38.101 0.706 25447 4384 1 11 . 1 1 36 36 ILE H H 36 7.331 7.331 7.899 -0.568 25447 4385 1 11 . 1 1 37 37 ASP N N 37 127.306 127.306 127.323 -0.017 25447 4386 1 11 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.715 -0.051 25447 4387 1 11 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.849 -1.233 25447 4388 1 11 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.655 -1.446 25447 4389 1 11 . 1 1 37 37 ASP H H 37 7.874 7.874 8.118 -0.244 25447 4390 1 11 . 1 1 38 38 ALA N N 38 120.352 120.352 122.602 -2.250 25447 4391 1 11 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.056 -0.061 25447 4392 1 11 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.388 0.904 25447 4393 1 11 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.615 -0.303 25447 4394 1 11 . 1 1 38 38 ALA H H 38 8.244 8.244 8.313 -0.069 25447 4395 1 11 . 1 1 39 39 LEU N N 39 117.438 117.438 119.350 -1.912 25447 4396 1 11 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.211 0.039 25447 4397 1 11 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.608 -0.253 25447 4398 1 11 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.027 0.209 25447 4399 1 11 . 1 1 39 39 LEU H H 39 7.688 7.688 8.334 -0.646 25447 4400 1 11 . 1 1 40 40 GLY N N 40 112.015 112.015 107.295 4.720 25447 4401 1 11 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.202 0.897 25447 4402 1 11 . 1 1 40 40 GLY H H 40 8.732 8.732 8.265 0.467 25447 4403 1 11 . 1 1 41 41 LEU N N 41 122.983 122.983 123.259 -0.276 25447 4404 1 11 . 1 1 41 41 LEU HA H 41 3.851 3.851 4.052 -0.201 25447 4405 1 11 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.555 0.777 25447 4406 1 11 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.888 -0.249 25447 4407 1 11 . 1 1 41 41 LEU H H 41 8.548 8.548 8.139 0.409 25447 4408 1 11 . 1 1 42 42 LEU N N 42 116.076 116.076 120.038 -3.962 25447 4409 1 11 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.873 0.155 25447 4410 1 11 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.510 -0.446 25447 4411 1 11 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.783 -0.843 25447 4412 1 11 . 1 1 42 42 LEU H H 42 7.168 7.168 7.645 -0.477 25447 4413 1 11 . 1 1 43 43 LYS N N 43 119.831 119.831 118.906 0.925 25447 4414 1 11 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.031 0.253 25447 4415 1 11 . 1 1 43 43 LYS CA C 43 59.644 59.644 60.008 -0.364 25447 4416 1 11 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.330 0.197 25447 4417 1 11 . 1 1 43 43 LYS H H 43 7.640 7.640 8.274 -0.634 25447 4418 1 11 . 1 1 44 44 VAL N N 44 121.046 121.046 120.435 0.611 25447 4419 1 11 . 1 1 44 44 VAL HA H 44 3.949 3.949 3.972 -0.023 25447 4420 1 11 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.646 -0.003 25447 4421 1 11 . 1 1 44 44 VAL H H 44 8.269 8.269 7.801 0.468 25447 4422 1 11 . 1 1 45 45 ILE N N 45 119.333 119.333 120.014 -0.681 25447 4423 1 11 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.572 -0.168 25447 4424 1 11 . 1 1 45 45 ILE CA C 45 66.148 66.148 63.769 2.379 25447 4425 1 11 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.181 1.096 25447 4426 1 11 . 1 1 45 45 ILE H H 45 8.145 8.145 7.726 0.419 25447 4427 1 11 . 1 1 46 46 ALA N N 46 121.213 121.213 123.174 -1.961 25447 4428 1 11 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.024 0.233 25447 4429 1 11 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.338 -0.174 25447 4430 1 11 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.534 -0.166 25447 4431 1 11 . 1 1 46 46 ALA H H 46 7.792 7.792 7.989 -0.197 25447 4432 1 11 . 1 1 47 47 TRP N N 47 121.416 121.416 120.210 1.206 25447 4433 1 11 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.465 -0.231 25447 4434 1 11 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.690 1.980 25447 4435 1 11 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.392 -1.153 25447 4436 1 11 . 1 1 47 47 TRP H H 47 8.093 8.093 7.971 0.122 25447 4437 1 11 . 1 1 48 48 LEU N N 48 118.963 118.963 120.877 -1.914 25447 4438 1 11 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.736 0.850 25447 4439 1 11 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.622 0.573 25447 4440 1 11 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.053 1.198 25447 4441 1 11 . 1 1 48 48 LEU H H 48 8.693 8.693 7.310 1.383 25447 4442 1 11 . 1 1 49 49 GLU N N 49 119.131 119.131 117.024 2.107 25447 4443 1 11 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.904 0.146 25447 4444 1 11 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.101 0.761 25447 4445 1 11 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.954 0.632 25447 4446 1 11 . 1 1 49 49 GLU H H 49 7.771 7.771 7.571 0.200 25447 4447 1 11 . 1 1 50 50 ASP N N 50 119.941 119.941 120.313 -0.372 25447 4448 1 11 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.430 -0.193 25447 4449 1 11 . 1 1 50 50 ASP CA C 50 57.355 57.355 57.065 0.290 25447 4450 1 11 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.930 1.453 25447 4451 1 11 . 1 1 50 50 ASP H H 50 7.697 7.697 7.660 0.037 25447 4452 1 11 . 1 1 51 51 ARG N N 51 116.911 116.911 119.812 -2.901 25447 4453 1 11 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.157 -0.421 25447 4454 1 11 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.684 -2.320 25447 4455 1 11 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.030 -0.715 25447 4456 1 11 . 1 1 51 51 ARG H H 51 8.881 8.881 8.104 0.777 25447 4457 1 11 . 1 1 52 52 PHE N N 52 112.328 112.328 116.485 -4.157 25447 4458 1 11 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.633 0.042 25447 4459 1 11 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.950 -0.537 25447 4460 1 11 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.128 1.764 25447 4461 1 11 . 1 1 52 52 PHE H H 52 7.284 7.284 7.759 -0.475 25447 4462 1 11 . 1 1 53 53 GLY N N 53 109.826 109.826 108.606 1.220 25447 4463 1 11 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.510 1.291 25447 4464 1 11 . 1 1 53 53 GLY H H 53 7.427 7.427 7.693 -0.266 25447 4465 1 11 . 1 1 54 54 ILE N N 54 119.127 119.127 114.510 4.617 25447 4466 1 11 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.531 -0.580 25447 4467 1 11 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.126 1.559 25447 4468 1 11 . 1 1 54 54 ILE CB C 54 39.490 39.490 40.033 -0.543 25447 4469 1 11 . 1 1 54 54 ILE H H 54 6.876 6.876 7.721 -0.845 25447 4470 1 11 . 1 1 55 55 ALA N N 55 129.823 129.823 124.542 5.281 25447 4471 1 11 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.612 -0.198 25447 4472 1 11 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.343 1.267 25447 4473 1 11 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.827 -1.565 25447 4474 1 11 . 1 1 55 55 ALA H H 55 8.499 8.499 8.378 0.121 25447 4475 1 11 . 1 1 56 56 ALA N N 56 126.300 126.300 125.735 0.565 25447 4476 1 11 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.145 0.124 25447 4477 1 11 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.413 -0.939 25447 4478 1 11 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.505 0.739 25447 4479 1 11 . 1 1 56 56 ALA H H 56 8.641 8.641 8.760 -0.119 25447 4480 1 11 . 1 1 57 57 ASP N N 57 116.395 116.395 116.602 -0.207 25447 4481 1 11 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.384 0.095 25447 4482 1 11 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.295 -1.069 25447 4483 1 11 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.200 0.722 25447 4484 1 11 . 1 1 57 57 ASP H H 57 8.337 8.337 8.507 -0.170 25447 4485 1 11 . 1 1 58 58 ASP N N 58 118.557 118.557 118.835 -0.278 25447 4486 1 11 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.485 0.151 25447 4487 1 11 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.808 -0.664 25447 4488 1 11 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.375 0.129 25447 4489 1 11 . 1 1 58 58 ASP H H 58 8.027 8.027 7.896 0.131 25447 4490 1 11 . 1 1 59 59 VAL N N 59 118.898 118.898 118.657 0.241 25447 4491 1 11 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.236 -0.060 25447 4492 1 11 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.442 0.858 25447 4493 1 11 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.469 -1.391 25447 4494 1 11 . 1 1 59 59 VAL H H 59 7.716 7.716 7.144 0.572 25447 4495 1 11 . 1 1 60 60 GLU N N 60 122.888 122.888 125.572 -2.684 25447 4496 1 11 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.497 -0.213 25447 4497 1 11 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.416 1.130 25447 4498 1 11 . 1 1 60 60 GLU CB C 60 29.782 29.782 31.208 -1.426 25447 4499 1 11 . 1 1 60 60 GLU H H 60 8.367 8.367 8.401 -0.034 25447 4500 1 11 . 1 1 61 61 LEU N N 61 124.827 124.827 124.851 -0.024 25447 4501 1 11 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.377 -0.019 25447 4502 1 11 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.168 0.648 25447 4503 1 11 . 1 1 61 61 LEU CB C 61 41.937 41.937 42.654 -0.717 25447 4504 1 11 . 1 1 61 61 LEU H H 61 8.198 8.198 8.445 -0.247 25447 4505 1 11 . 1 1 62 62 SER N N 62 118.715 118.715 117.457 1.258 25447 4506 1 11 . 1 1 62 62 SER HA H 62 4.809 4.809 4.918 -0.109 25447 4507 1 11 . 1 1 62 62 SER CA C 62 55.732 55.732 55.085 0.647 25447 4508 1 11 . 1 1 62 62 SER CB C 62 64.017 64.017 64.609 -0.592 25447 4509 1 11 . 1 1 62 62 SER H H 62 8.137 8.137 8.171 -0.034 25447 4510 1 11 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.186 0.067 25447 4511 1 11 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.339 -0.443 25447 4512 1 11 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.810 0.242 25447 4513 1 11 . 1 1 64 64 GLU N N 64 116.554 116.554 118.700 -2.146 25447 4514 1 11 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.193 -0.320 25447 4515 1 11 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.791 -0.072 25447 4516 1 11 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.288 -0.607 25447 4517 1 11 . 1 1 64 64 GLU H H 64 8.316 8.316 8.971 -0.655 25447 4518 1 11 . 1 1 65 65 HIS N N 65 115.487 115.487 118.956 -3.469 25447 4519 1 11 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.182 0.098 25447 4520 1 11 . 1 1 65 65 HIS CA C 65 57.652 57.652 57.955 -0.303 25447 4521 1 11 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.328 0.554 25447 4522 1 11 . 1 1 65 65 HIS H H 65 7.274 7.274 8.571 -1.297 25447 4523 1 11 . 1 1 66 66 PHE N N 66 116.127 116.127 116.791 -0.664 25447 4524 1 11 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.701 0.065 25447 4525 1 11 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.339 -1.557 25447 4526 1 11 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.887 1.021 25447 4527 1 11 . 1 1 66 66 PHE H H 66 7.239 7.239 7.735 -0.496 25447 4528 1 11 . 1 1 67 67 ARG N N 67 112.468 112.468 119.743 -7.275 25447 4529 1 11 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.992 0.093 25447 4530 1 11 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.106 -0.819 25447 4531 1 11 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.518 1.242 25447 4532 1 11 . 1 1 67 67 ARG H H 67 6.628 6.628 7.861 -1.233 25447 4533 1 11 . 1 1 68 68 SER N N 68 109.305 109.305 109.501 -0.196 25447 4534 1 11 . 1 1 68 68 SER HA H 68 4.980 4.980 4.791 0.189 25447 4535 1 11 . 1 1 68 68 SER CA C 68 55.785 55.785 57.042 -1.257 25447 4536 1 11 . 1 1 68 68 SER CB C 68 67.691 67.691 66.109 1.581 25447 4537 1 11 . 1 1 68 68 SER H H 68 8.145 8.145 7.301 0.844 25447 4538 1 11 . 1 1 69 69 ILE N N 69 122.602 122.602 123.582 -0.980 25447 4539 1 11 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.745 -0.069 25447 4540 1 11 . 1 1 69 69 ILE CA C 69 66.754 66.754 66.025 0.729 25447 4541 1 11 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.664 -0.368 25447 4542 1 11 . 1 1 69 69 ILE H H 69 9.775 9.775 9.141 0.634 25447 4543 1 11 . 1 1 70 70 ARG N N 70 118.764 118.764 118.707 0.057 25447 4544 1 11 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.926 0.029 25447 4545 1 11 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.360 1.173 25447 4546 1 11 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.202 1.216 25447 4547 1 11 . 1 1 70 70 ARG H H 70 8.910 8.910 8.391 0.519 25447 4548 1 11 . 1 1 71 71 SER N N 71 117.670 117.670 115.918 1.752 25447 4549 1 11 . 1 1 71 71 SER HA H 71 4.330 4.330 4.216 0.114 25447 4550 1 11 . 1 1 71 71 SER CA C 71 62.287 62.287 60.899 1.388 25447 4551 1 11 . 1 1 71 71 SER CB C 71 63.278 63.278 62.499 0.779 25447 4552 1 11 . 1 1 71 71 SER H H 71 8.518 8.518 7.621 0.897 25447 4553 1 11 . 1 1 72 72 ILE N N 72 127.447 127.447 123.001 4.446 25447 4554 1 11 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.164 0.746 25447 4555 1 11 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.746 1.065 25447 4556 1 11 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.467 0.931 25447 4557 1 11 . 1 1 72 72 ILE H H 72 8.762 8.762 7.775 0.987 25447 4558 1 11 . 1 1 73 73 ASP N N 73 121.636 121.636 120.039 1.597 25447 4559 1 11 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.282 -0.269 25447 4560 1 11 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.309 1.839 25447 4561 1 11 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.622 2.918 25447 4562 1 11 . 1 1 73 73 ASP H H 73 8.677 8.677 7.891 0.786 25447 4563 1 11 . 1 1 74 74 ALA N N 74 118.793 118.793 121.923 -3.130 25447 4564 1 11 . 1 1 74 74 ALA HA H 74 4.044 4.044 3.975 0.069 25447 4565 1 11 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.150 0.171 25447 4566 1 11 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.523 -0.578 25447 4567 1 11 . 1 1 74 74 ALA H H 74 8.005 8.005 7.879 0.126 25447 4568 1 11 . 1 1 75 75 PHE N N 75 121.235 121.235 120.103 1.132 25447 4569 1 11 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.055 -0.017 25447 4570 1 11 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.936 -0.921 25447 4571 1 11 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.454 -0.617 25447 4572 1 11 . 1 1 75 75 PHE H H 75 8.353 8.353 8.614 -0.261 25447 4573 1 11 . 1 1 76 76 VAL N N 76 120.866 120.866 119.265 1.601 25447 4574 1 11 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.349 -0.406 25447 4575 1 11 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.854 0.047 25447 4576 1 11 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.180 0.067 25447 4577 1 11 . 1 1 76 76 VAL H H 76 8.544 8.544 8.310 0.234 25447 4578 1 11 . 1 1 77 77 VAL N N 77 121.408 121.408 119.503 1.905 25447 4579 1 11 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.758 -0.263 25447 4580 1 11 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.835 -0.002 25447 4581 1 11 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.736 0.194 25447 4582 1 11 . 1 1 77 77 VAL H H 77 8.708 8.708 8.324 0.384 25447 4583 1 11 . 1 1 78 78 GLY N N 78 106.402 106.402 106.335 0.067 25447 4584 1 11 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.730 0.110 25447 4585 1 11 . 1 1 78 78 GLY H H 78 7.945 7.945 8.488 -0.543 25447 4586 1 11 . 1 1 79 79 ALA N N 79 121.146 121.146 122.601 -1.455 25447 4587 1 11 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.892 0.315 25447 4588 1 11 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.103 -1.174 25447 4589 1 11 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.384 0.877 25447 4590 1 11 . 1 1 79 79 ALA H H 79 7.639 7.639 7.676 -0.037 25447 4591 1 11 . 1 1 80 80 THR N N 80 107.668 107.668 108.915 -1.247 25447 4592 1 11 . 1 1 80 80 THR HA H 80 4.443 4.443 4.186 0.257 25447 4593 1 11 . 1 1 80 80 THR CA C 80 61.406 61.406 63.408 -2.002 25447 4594 1 11 . 1 1 80 80 THR CB C 80 70.767 70.767 69.626 1.141 25447 4595 1 11 . 1 1 80 80 THR H H 80 7.449 7.449 7.562 -0.113 25447 4596 1 11 . 1 1 81 81 THR N N 81 119.953 119.953 116.073 3.880 25447 4597 1 11 . 1 1 81 81 THR HA H 81 4.665 4.665 4.798 -0.133 25447 4598 1 11 . 1 1 81 81 THR CA C 81 60.412 60.412 58.613 1.799 25447 4599 1 11 . 1 1 81 81 THR CB C 81 70.113 70.113 70.117 -0.004 25447 4600 1 11 . 1 1 81 81 THR H H 81 7.685 7.685 7.585 0.100 25447 4601 1 11 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.508 0.181 25447 4602 1 11 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.524 -0.836 25447 4603 1 11 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.697 0.272 25447 4604 1 11 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.346 0.135 25447 4605 1 11 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.720 0.211 25447 4606 1 11 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.526 -0.333 25447 4607 1 11 . 1 1 84 84 VAL N N 84 120.691 120.691 122.446 -1.755 25447 4608 1 11 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.106 -0.013 25447 4609 1 11 . 1 1 84 84 VAL CA C 84 62.339 62.339 62.107 0.232 25447 4610 1 11 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.962 -0.111 25447 4611 1 11 . 1 1 84 84 VAL H H 84 8.257 8.257 8.064 0.193 25447 4612 1 11 . 1 1 85 85 GLU N N 85 127.655 127.655 122.866 4.789 25447 4613 1 11 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.806 0.478 25447 4614 1 11 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.389 0.365 25447 4615 1 11 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.181 2.378 25447 4616 1 11 . 1 1 85 85 GLU H H 85 8.202 8.202 8.693 -0.491 25447 4617 1 11 . 1 1 86 86 ALA N N 86 126.437 126.437 122.121 4.316 25447 4618 1 11 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.102 -0.051 25447 4619 1 11 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.711 -0.563 25447 4620 1 11 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.789 -0.329 25447 4621 1 11 . 1 1 86 86 ALA H H 86 8.323 8.323 8.246 0.077 25447 4622 1 11 . 1 1 87 87 LYS N N 87 121.796 121.796 121.357 0.439 25447 4623 1 11 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.018 0.329 25447 4624 1 11 . 1 1 87 87 LYS CA C 87 56.297 56.297 58.165 -1.868 25447 4625 1 11 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.418 0.858 25447 4626 1 11 . 1 1 87 87 LYS H H 87 8.333 8.333 8.434 -0.101 25447 4627 1 11 . 1 1 88 88 LEU N N 88 125.576 125.576 120.461 5.115 25447 4628 1 11 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.362 -0.455 25447 4629 1 11 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.417 1.355 25447 4630 1 11 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.375 0.097 25447 4631 1 11 . 1 1 88 88 LEU H H 88 8.444 8.444 7.745 0.699 25447 4632 1 12 . 1 1 1 1 MET N N 1 120.668 120.668 114.646 6.022 25447 4633 1 12 . 1 1 1 1 MET HA H 1 4.484 4.484 4.345 0.140 25447 4634 1 12 . 1 1 1 1 MET CA C 1 55.257 55.257 56.903 -1.646 25447 4635 1 12 . 1 1 1 1 MET CB C 1 34.517 34.517 33.178 1.339 25447 4636 1 12 . 1 1 1 1 MET H H 1 8.313 8.313 7.745 0.568 25447 4637 1 12 . 1 1 2 2 GLN N N 2 123.739 123.739 113.773 9.966 25447 4638 1 12 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.667 0.363 25447 4639 1 12 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.274 1.600 25447 4640 1 12 . 1 1 2 2 GLN CB C 2 29.938 29.938 26.970 2.968 25447 4641 1 12 . 1 1 2 2 GLN H H 2 9.455 9.455 7.588 1.867 25447 4642 1 12 . 1 1 3 3 HIS N N 3 119.115 119.115 109.545 9.570 25447 4643 1 12 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.382 0.734 25447 4644 1 12 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.340 -0.846 25447 4645 1 12 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.242 3.772 25447 4646 1 12 . 1 1 3 3 HIS H H 3 9.783 9.783 8.159 1.624 25447 4647 1 12 . 1 1 4 4 ALA N N 4 122.648 122.648 122.966 -0.318 25447 4648 1 12 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.148 -0.245 25447 4649 1 12 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.389 1.090 25447 4650 1 12 . 1 1 4 4 ALA CB C 4 19.194 19.194 19.242 -0.048 25447 4651 1 12 . 1 1 4 4 ALA H H 4 7.551 7.551 8.116 -0.565 25447 4652 1 12 . 1 1 5 5 SER N N 5 112.599 112.599 114.146 -1.547 25447 4653 1 12 . 1 1 5 5 SER HA H 5 4.298 4.298 4.249 0.049 25447 4654 1 12 . 1 1 5 5 SER CA C 5 62.117 62.117 61.158 0.959 25447 4655 1 12 . 1 1 5 5 SER CB C 5 62.334 62.334 61.906 0.428 25447 4656 1 12 . 1 1 5 5 SER H H 5 8.736 8.736 8.398 0.338 25447 4657 1 12 . 1 1 6 6 VAL N N 6 122.866 122.866 123.973 -1.107 25447 4658 1 12 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.833 0.272 25447 4659 1 12 . 1 1 6 6 VAL CA C 6 65.732 65.732 65.832 -0.099 25447 4660 1 12 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.634 1.103 25447 4661 1 12 . 1 1 6 6 VAL H H 6 7.660 7.660 7.792 -0.132 25447 4662 1 12 . 1 1 7 7 ILE N N 7 121.715 121.715 120.173 1.542 25447 4663 1 12 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.118 0.106 25447 4664 1 12 . 1 1 7 7 ILE CA C 7 65.329 65.329 66.029 -0.701 25447 4665 1 12 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.560 1.133 25447 4666 1 12 . 1 1 7 7 ILE H H 7 8.519 8.519 7.713 0.806 25447 4667 1 12 . 1 1 8 8 ALA N N 8 121.373 121.373 121.377 -0.004 25447 4668 1 12 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.010 -0.115 25447 4669 1 12 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.300 0.957 25447 4670 1 12 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.000 0.640 25447 4671 1 12 . 1 1 8 8 ALA H H 8 8.940 8.940 7.894 1.046 25447 4672 1 12 . 1 1 9 9 GLN N N 9 115.076 115.076 119.250 -4.174 25447 4673 1 12 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.897 -0.027 25447 4674 1 12 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.959 0.233 25447 4675 1 12 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.576 -0.438 25447 4676 1 12 . 1 1 9 9 GLN H H 9 7.729 7.729 7.881 -0.152 25447 4677 1 12 . 1 1 10 10 PHE N N 10 120.207 120.207 118.118 2.089 25447 4678 1 12 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.847 0.238 25447 4679 1 12 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.356 -0.463 25447 4680 1 12 . 1 1 10 10 PHE CB C 10 38.932 38.932 37.724 1.208 25447 4681 1 12 . 1 1 10 10 PHE H H 10 7.301 7.301 7.787 -0.486 25447 4682 1 12 . 1 1 11 11 VAL N N 11 117.569 117.569 119.387 -1.818 25447 4683 1 12 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.760 -0.453 25447 4684 1 12 . 1 1 11 11 VAL CA C 11 66.508 66.508 66.763 -0.255 25447 4685 1 12 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.763 -0.276 25447 4686 1 12 . 1 1 11 11 VAL H H 11 8.370 8.370 7.618 0.752 25447 4687 1 12 . 1 1 12 12 VAL N N 12 117.909 117.909 116.154 1.755 25447 4688 1 12 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.668 0.073 25447 4689 1 12 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.756 -0.880 25447 4690 1 12 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.629 -0.317 25447 4691 1 12 . 1 1 12 12 VAL H H 12 8.294 8.294 7.592 0.702 25447 4692 1 12 . 1 1 13 13 GLU N N 13 117.918 117.918 118.767 -0.849 25447 4693 1 12 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.903 -0.161 25447 4694 1 12 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.636 0.671 25447 4695 1 12 . 1 1 13 13 GLU CB C 13 29.489 29.489 28.909 0.581 25447 4696 1 12 . 1 1 13 13 GLU H H 13 7.750 7.750 8.054 -0.304 25447 4697 1 12 . 1 1 14 14 GLU N N 14 113.478 113.478 117.602 -4.124 25447 4698 1 12 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.136 -0.358 25447 4699 1 12 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.861 -2.061 25447 4700 1 12 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.201 -0.558 25447 4701 1 12 . 1 1 14 14 GLU H H 14 7.603 7.603 7.901 -0.298 25447 4702 1 12 . 1 1 15 15 PHE N N 15 114.193 114.193 114.246 -0.053 25447 4703 1 12 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.631 0.308 25447 4704 1 12 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.581 -0.486 25447 4705 1 12 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.366 -0.271 25447 4706 1 12 . 1 1 15 15 PHE H H 15 7.908 7.908 7.591 0.317 25447 4707 1 12 . 1 1 16 16 LEU N N 16 121.492 121.492 122.118 -0.626 25447 4708 1 12 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.840 0.127 25447 4709 1 12 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.273 0.104 25447 4710 1 12 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.601 1.132 25447 4711 1 12 . 1 1 16 16 LEU H H 16 8.015 8.015 8.203 -0.188 25447 4712 1 12 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.377 0.006 25447 4713 1 12 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.970 0.888 25447 4714 1 12 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.819 0.010 25447 4715 1 12 . 1 1 18 18 ASP N N 18 116.508 116.508 118.162 -1.654 25447 4716 1 12 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.725 -0.157 25447 4717 1 12 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.844 0.844 25447 4718 1 12 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.340 0.286 25447 4719 1 12 . 1 1 18 18 ASP H H 18 8.399 8.399 8.545 -0.146 25447 4720 1 12 . 1 1 19 19 VAL N N 19 122.135 122.135 120.525 1.610 25447 4721 1 12 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.089 0.029 25447 4722 1 12 . 1 1 19 19 VAL CA C 19 61.293 61.293 61.321 -0.028 25447 4723 1 12 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.923 -0.341 25447 4724 1 12 . 1 1 19 19 VAL H H 19 7.760 7.760 7.202 0.558 25447 4725 1 12 . 1 1 20 20 ALA N N 20 129.301 129.301 130.504 -1.203 25447 4726 1 12 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.601 -0.002 25447 4727 1 12 . 1 1 20 20 ALA CA C 20 50.270 50.270 49.912 0.358 25447 4728 1 12 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.432 -1.004 25447 4729 1 12 . 1 1 20 20 ALA H H 20 8.761 8.761 8.488 0.273 25447 4730 1 12 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.164 -0.087 25447 4731 1 12 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.555 0.648 25447 4732 1 12 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.811 -0.403 25447 4733 1 12 . 1 1 22 22 ALA N N 22 116.106 116.106 118.508 -2.402 25447 4734 1 12 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.152 -0.035 25447 4735 1 12 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.087 -0.092 25447 4736 1 12 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.412 0.432 25447 4737 1 12 . 1 1 22 22 ALA H H 22 8.064 8.064 7.994 0.070 25447 4738 1 12 . 1 1 23 23 ASP N N 23 115.541 115.541 116.379 -0.838 25447 4739 1 12 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.578 0.099 25447 4740 1 12 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.815 0.521 25447 4741 1 12 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.395 0.959 25447 4742 1 12 . 1 1 23 23 ASP H H 23 8.003 8.003 8.089 -0.086 25447 4743 1 12 . 1 1 24 24 VAL N N 24 121.517 121.517 120.589 0.928 25447 4744 1 12 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.148 -0.327 25447 4745 1 12 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.423 0.922 25447 4746 1 12 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.249 -1.516 25447 4747 1 12 . 1 1 24 24 VAL H H 24 7.069 7.069 7.456 -0.387 25447 4748 1 12 . 1 1 25 25 ASP N N 25 129.329 129.329 126.038 3.291 25447 4749 1 12 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.764 -0.190 25447 4750 1 12 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.049 1.517 25447 4751 1 12 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.661 0.672 25447 4752 1 12 . 1 1 25 25 ASP H H 25 8.474 8.474 8.656 -0.182 25447 4753 1 12 . 1 1 26 26 VAL N N 26 121.920 121.920 121.262 0.658 25447 4754 1 12 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.095 0.013 25447 4755 1 12 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.125 1.393 25447 4756 1 12 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.696 -0.498 25447 4757 1 12 . 1 1 26 26 VAL H H 26 8.591 8.591 8.608 -0.017 25447 4758 1 12 . 1 1 27 27 ASP N N 27 116.286 116.286 119.104 -2.818 25447 4759 1 12 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.627 0.518 25447 4760 1 12 . 1 1 27 27 ASP CA C 27 54.181 54.181 55.341 -1.160 25447 4761 1 12 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.203 1.372 25447 4762 1 12 . 1 1 27 27 ASP H H 27 8.609 8.609 8.201 0.408 25447 4763 1 12 . 1 1 28 28 LEU N N 28 125.116 125.116 122.277 2.839 25447 4764 1 12 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.513 -0.502 25447 4765 1 12 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.266 1.821 25447 4766 1 12 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.007 -0.686 25447 4767 1 12 . 1 1 28 28 LEU H H 28 7.374 7.374 7.364 0.010 25447 4768 1 12 . 1 1 29 29 ASP N N 29 125.924 125.924 125.171 0.753 25447 4769 1 12 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.644 0.190 25447 4770 1 12 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.891 -0.971 25447 4771 1 12 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.357 0.022 25447 4772 1 12 . 1 1 29 29 ASP H H 29 8.699 8.699 8.563 0.136 25447 4773 1 12 . 1 1 30 30 LEU N N 30 129.975 129.975 125.168 4.807 25447 4774 1 12 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.164 -0.247 25447 4775 1 12 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.236 -0.848 25447 4776 1 12 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.579 -0.340 25447 4777 1 12 . 1 1 30 30 LEU H H 30 9.718 9.718 8.452 1.266 25447 4778 1 12 . 1 1 31 31 VAL N N 31 121.212 121.212 117.585 3.627 25447 4779 1 12 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.619 0.574 25447 4780 1 12 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.538 -2.105 25447 4781 1 12 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.688 0.487 25447 4782 1 12 . 1 1 31 31 VAL H H 31 8.163 8.163 7.647 0.516 25447 4783 1 12 . 1 1 32 32 ASP N N 32 124.893 124.893 118.913 5.980 25447 4784 1 12 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.342 0.016 25447 4785 1 12 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.615 0.610 25447 4786 1 12 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.619 0.116 25447 4787 1 12 . 1 1 32 32 ASP H H 32 9.385 9.385 8.709 0.676 25447 4788 1 12 . 1 1 33 33 ASN N N 33 111.484 111.484 116.674 -5.190 25447 4789 1 12 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.555 0.165 25447 4790 1 12 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.940 -0.054 25447 4791 1 12 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.219 -0.213 25447 4792 1 12 . 1 1 33 33 ASN H H 33 7.396 7.396 7.660 -0.264 25447 4793 1 12 . 1 1 34 34 GLY N N 34 106.957 106.957 105.908 1.049 25447 4794 1 12 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.755 0.852 25447 4795 1 12 . 1 1 34 34 GLY H H 34 7.618 7.618 7.857 -0.239 25447 4796 1 12 . 1 1 35 35 VAL N N 35 120.424 120.424 118.181 2.243 25447 4797 1 12 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.582 0.184 25447 4798 1 12 . 1 1 35 35 VAL CA C 35 65.125 65.125 65.239 -0.114 25447 4799 1 12 . 1 1 35 35 VAL CB C 35 31.879 31.879 32.027 -0.148 25447 4800 1 12 . 1 1 35 35 VAL H H 35 7.792 7.792 7.908 -0.116 25447 4801 1 12 . 1 1 36 36 ILE N N 36 116.364 116.364 119.755 -3.391 25447 4802 1 12 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.971 -0.234 25447 4803 1 12 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.783 -1.098 25447 4804 1 12 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.665 1.142 25447 4805 1 12 . 1 1 36 36 ILE H H 36 7.331 7.331 7.913 -0.582 25447 4806 1 12 . 1 1 37 37 ASP N N 37 127.306 127.306 127.868 -0.562 25447 4807 1 12 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.731 -0.067 25447 4808 1 12 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.963 -1.347 25447 4809 1 12 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.514 -1.304 25447 4810 1 12 . 1 1 37 37 ASP H H 37 7.874 7.874 7.993 -0.119 25447 4811 1 12 . 1 1 38 38 ALA N N 38 120.352 120.352 122.917 -2.565 25447 4812 1 12 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.093 -0.098 25447 4813 1 12 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.271 1.021 25447 4814 1 12 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.584 -0.272 25447 4815 1 12 . 1 1 38 38 ALA H H 38 8.244 8.244 8.299 -0.055 25447 4816 1 12 . 1 1 39 39 LEU N N 39 117.438 117.438 118.409 -0.971 25447 4817 1 12 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.158 0.092 25447 4818 1 12 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.026 0.329 25447 4819 1 12 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.136 0.100 25447 4820 1 12 . 1 1 39 39 LEU H H 39 7.688 7.688 8.411 -0.723 25447 4821 1 12 . 1 1 40 40 GLY N N 40 112.015 112.015 107.854 4.161 25447 4822 1 12 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.159 0.940 25447 4823 1 12 . 1 1 40 40 GLY H H 40 8.732 8.732 8.278 0.454 25447 4824 1 12 . 1 1 41 41 LEU N N 41 122.983 122.983 123.264 -0.281 25447 4825 1 12 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.971 -0.120 25447 4826 1 12 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.590 0.742 25447 4827 1 12 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.952 -0.313 25447 4828 1 12 . 1 1 41 41 LEU H H 41 8.548 8.548 8.092 0.456 25447 4829 1 12 . 1 1 42 42 LEU N N 42 116.076 116.076 119.986 -3.910 25447 4830 1 12 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.875 0.153 25447 4831 1 12 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.481 -0.417 25447 4832 1 12 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.786 -0.846 25447 4833 1 12 . 1 1 42 42 LEU H H 42 7.168 7.168 7.633 -0.465 25447 4834 1 12 . 1 1 43 43 LYS N N 43 119.831 119.831 118.970 0.861 25447 4835 1 12 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.026 0.258 25447 4836 1 12 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.948 -0.304 25447 4837 1 12 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.300 0.227 25447 4838 1 12 . 1 1 43 43 LYS H H 43 7.640 7.640 8.303 -0.663 25447 4839 1 12 . 1 1 44 44 VAL N N 44 121.046 121.046 120.618 0.428 25447 4840 1 12 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.001 -0.052 25447 4841 1 12 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.395 0.248 25447 4842 1 12 . 1 1 44 44 VAL H H 44 8.269 8.269 7.895 0.374 25447 4843 1 12 . 1 1 45 45 ILE N N 45 119.333 119.333 119.549 -0.216 25447 4844 1 12 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.619 -0.215 25447 4845 1 12 . 1 1 45 45 ILE CA C 45 66.148 66.148 62.513 3.635 25447 4846 1 12 . 1 1 45 45 ILE CB C 45 38.277 38.277 35.796 2.481 25447 4847 1 12 . 1 1 45 45 ILE H H 45 8.145 8.145 7.613 0.532 25447 4848 1 12 . 1 1 46 46 ALA N N 46 121.213 121.213 123.160 -1.947 25447 4849 1 12 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.118 0.139 25447 4850 1 12 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.074 0.090 25447 4851 1 12 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.518 -0.150 25447 4852 1 12 . 1 1 46 46 ALA H H 46 7.792 7.792 7.896 -0.104 25447 4853 1 12 . 1 1 47 47 TRP N N 47 121.416 121.416 119.889 1.527 25447 4854 1 12 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.431 -0.197 25447 4855 1 12 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.510 2.160 25447 4856 1 12 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.466 -1.227 25447 4857 1 12 . 1 1 47 47 TRP H H 47 8.093 8.093 7.900 0.193 25447 4858 1 12 . 1 1 48 48 LEU N N 48 118.963 118.963 120.816 -1.853 25447 4859 1 12 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.789 0.797 25447 4860 1 12 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.337 0.858 25447 4861 1 12 . 1 1 48 48 LEU CB C 48 42.251 42.251 40.674 1.577 25447 4862 1 12 . 1 1 48 48 LEU H H 48 8.693 8.693 7.211 1.482 25447 4863 1 12 . 1 1 49 49 GLU N N 49 119.131 119.131 117.866 1.265 25447 4864 1 12 . 1 1 49 49 GLU HA H 49 4.050 4.050 4.010 0.040 25447 4865 1 12 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.057 0.805 25447 4866 1 12 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.640 0.946 25447 4867 1 12 . 1 1 49 49 GLU H H 49 7.771 7.771 7.695 0.076 25447 4868 1 12 . 1 1 50 50 ASP N N 50 119.941 119.941 120.285 -0.344 25447 4869 1 12 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.441 -0.204 25447 4870 1 12 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.390 0.965 25447 4871 1 12 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.755 1.628 25447 4872 1 12 . 1 1 50 50 ASP H H 50 7.697 7.697 7.555 0.142 25447 4873 1 12 . 1 1 51 51 ARG N N 51 116.911 116.911 118.155 -1.244 25447 4874 1 12 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.055 -0.319 25447 4875 1 12 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.221 -1.857 25447 4876 1 12 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.192 -0.877 25447 4877 1 12 . 1 1 51 51 ARG H H 51 8.881 8.881 8.014 0.867 25447 4878 1 12 . 1 1 52 52 PHE N N 52 112.328 112.328 116.454 -4.126 25447 4879 1 12 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.672 0.003 25447 4880 1 12 . 1 1 52 52 PHE CA C 52 57.413 57.413 58.336 -0.923 25447 4881 1 12 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.565 1.327 25447 4882 1 12 . 1 1 52 52 PHE H H 52 7.284 7.284 7.608 -0.324 25447 4883 1 12 . 1 1 53 53 GLY N N 53 109.826 109.826 108.757 1.069 25447 4884 1 12 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.629 1.172 25447 4885 1 12 . 1 1 53 53 GLY H H 53 7.427 7.427 7.854 -0.427 25447 4886 1 12 . 1 1 54 54 ILE N N 54 119.127 119.127 115.283 3.844 25447 4887 1 12 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.504 -0.553 25447 4888 1 12 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.637 1.048 25447 4889 1 12 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.720 -0.230 25447 4890 1 12 . 1 1 54 54 ILE H H 54 6.876 6.876 7.651 -0.775 25447 4891 1 12 . 1 1 55 55 ALA N N 55 129.823 129.823 125.700 4.123 25447 4892 1 12 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.532 -0.118 25447 4893 1 12 . 1 1 55 55 ALA CA C 55 51.610 51.610 51.056 0.554 25447 4894 1 12 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.282 -1.020 25447 4895 1 12 . 1 1 55 55 ALA H H 55 8.499 8.499 8.128 0.371 25447 4896 1 12 . 1 1 56 56 ALA N N 56 126.300 126.300 122.673 3.627 25447 4897 1 12 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.185 0.084 25447 4898 1 12 . 1 1 56 56 ALA CA C 56 53.474 53.474 53.379 0.095 25447 4899 1 12 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.895 0.349 25447 4900 1 12 . 1 1 56 56 ALA H H 56 8.641 8.641 8.342 0.299 25447 4901 1 12 . 1 1 57 57 ASP N N 57 116.395 116.395 116.693 -0.298 25447 4902 1 12 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.414 0.065 25447 4903 1 12 . 1 1 57 57 ASP CA C 57 55.226 55.226 54.388 0.839 25447 4904 1 12 . 1 1 57 57 ASP CB C 57 40.922 40.922 39.660 1.262 25447 4905 1 12 . 1 1 57 57 ASP H H 57 8.337 8.337 8.058 0.279 25447 4906 1 12 . 1 1 58 58 ASP N N 58 118.557 118.557 115.176 3.381 25447 4907 1 12 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.261 0.375 25447 4908 1 12 . 1 1 58 58 ASP CA C 58 55.144 55.144 54.985 0.159 25447 4909 1 12 . 1 1 58 58 ASP CB C 58 41.504 41.504 39.745 1.759 25447 4910 1 12 . 1 1 58 58 ASP H H 58 8.027 8.027 8.516 -0.489 25447 4911 1 12 . 1 1 59 59 VAL N N 59 118.898 118.898 118.415 0.483 25447 4912 1 12 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.234 -0.058 25447 4913 1 12 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.492 0.808 25447 4914 1 12 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.173 -1.095 25447 4915 1 12 . 1 1 59 59 VAL H H 59 7.716 7.716 7.372 0.344 25447 4916 1 12 . 1 1 60 60 GLU N N 60 122.888 122.888 126.538 -3.650 25447 4917 1 12 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.559 -0.275 25447 4918 1 12 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.641 0.905 25447 4919 1 12 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.877 -1.095 25447 4920 1 12 . 1 1 60 60 GLU H H 60 8.367 8.367 8.423 -0.056 25447 4921 1 12 . 1 1 61 61 LEU N N 61 124.827 124.827 124.660 0.167 25447 4922 1 12 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.522 -0.164 25447 4923 1 12 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.290 0.526 25447 4924 1 12 . 1 1 61 61 LEU CB C 61 41.937 41.937 42.631 -0.694 25447 4925 1 12 . 1 1 61 61 LEU H H 61 8.198 8.198 8.398 -0.200 25447 4926 1 12 . 1 1 62 62 SER N N 62 118.715 118.715 118.243 0.472 25447 4927 1 12 . 1 1 62 62 SER HA H 62 4.809 4.809 4.911 -0.102 25447 4928 1 12 . 1 1 62 62 SER CA C 62 55.732 55.732 55.908 -0.176 25447 4929 1 12 . 1 1 62 62 SER CB C 62 64.017 64.017 64.789 -0.772 25447 4930 1 12 . 1 1 62 62 SER H H 62 8.137 8.137 8.201 -0.064 25447 4931 1 12 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.211 0.042 25447 4932 1 12 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.222 -0.326 25447 4933 1 12 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.689 0.363 25447 4934 1 12 . 1 1 64 64 GLU N N 64 116.554 116.554 119.725 -3.171 25447 4935 1 12 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.130 -0.257 25447 4936 1 12 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.967 -0.248 25447 4937 1 12 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.635 -0.954 25447 4938 1 12 . 1 1 64 64 GLU H H 64 8.316 8.316 8.547 -0.231 25447 4939 1 12 . 1 1 65 65 HIS N N 65 115.487 115.487 118.758 -3.271 25447 4940 1 12 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.273 0.007 25447 4941 1 12 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.180 -0.528 25447 4942 1 12 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.393 0.489 25447 4943 1 12 . 1 1 65 65 HIS H H 65 7.274 7.274 8.625 -1.351 25447 4944 1 12 . 1 1 66 66 PHE N N 66 116.127 116.127 116.844 -0.717 25447 4945 1 12 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.764 0.002 25447 4946 1 12 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.042 -1.260 25447 4947 1 12 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.791 1.117 25447 4948 1 12 . 1 1 66 66 PHE H H 66 7.239 7.239 7.858 -0.619 25447 4949 1 12 . 1 1 67 67 ARG N N 67 112.468 112.468 119.551 -7.083 25447 4950 1 12 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.997 0.088 25447 4951 1 12 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.275 -0.988 25447 4952 1 12 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.441 1.319 25447 4953 1 12 . 1 1 67 67 ARG H H 67 6.628 6.628 7.881 -1.254 25447 4954 1 12 . 1 1 68 68 SER N N 68 109.305 109.305 110.299 -0.994 25447 4955 1 12 . 1 1 68 68 SER HA H 68 4.980 4.980 4.801 0.179 25447 4956 1 12 . 1 1 68 68 SER CA C 68 55.785 55.785 56.908 -1.123 25447 4957 1 12 . 1 1 68 68 SER CB C 68 67.691 67.691 66.059 1.631 25447 4958 1 12 . 1 1 68 68 SER H H 68 8.145 8.145 7.397 0.748 25447 4959 1 12 . 1 1 69 69 ILE N N 69 122.602 122.602 122.463 0.139 25447 4960 1 12 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.757 -0.081 25447 4961 1 12 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.608 1.146 25447 4962 1 12 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.569 -0.273 25447 4963 1 12 . 1 1 69 69 ILE H H 69 9.775 9.775 9.079 0.696 25447 4964 1 12 . 1 1 70 70 ARG N N 70 118.764 118.764 118.732 0.032 25447 4965 1 12 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.927 0.028 25447 4966 1 12 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.797 0.736 25447 4967 1 12 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.536 0.882 25447 4968 1 12 . 1 1 70 70 ARG H H 70 8.910 8.910 8.384 0.526 25447 4969 1 12 . 1 1 71 71 SER N N 71 117.670 117.670 114.869 2.801 25447 4970 1 12 . 1 1 71 71 SER HA H 71 4.330 4.330 4.084 0.246 25447 4971 1 12 . 1 1 71 71 SER CA C 71 62.287 62.287 61.606 0.681 25447 4972 1 12 . 1 1 71 71 SER CB C 71 63.278 63.278 62.877 0.401 25447 4973 1 12 . 1 1 71 71 SER H H 71 8.518 8.518 7.474 1.044 25447 4974 1 12 . 1 1 72 72 ILE N N 72 127.447 127.447 122.750 4.697 25447 4975 1 12 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.299 0.611 25447 4976 1 12 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.711 1.100 25447 4977 1 12 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.697 0.701 25447 4978 1 12 . 1 1 72 72 ILE H H 72 8.762 8.762 7.579 1.183 25447 4979 1 12 . 1 1 73 73 ASP N N 73 121.636 121.636 119.812 1.824 25447 4980 1 12 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.320 -0.307 25447 4981 1 12 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.158 1.990 25447 4982 1 12 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.701 2.839 25447 4983 1 12 . 1 1 73 73 ASP H H 73 8.677 8.677 7.894 0.783 25447 4984 1 12 . 1 1 74 74 ALA N N 74 118.793 118.793 122.035 -3.242 25447 4985 1 12 . 1 1 74 74 ALA HA H 74 4.044 4.044 3.952 0.092 25447 4986 1 12 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.148 0.173 25447 4987 1 12 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.459 -0.514 25447 4988 1 12 . 1 1 74 74 ALA H H 74 8.005 8.005 7.882 0.123 25447 4989 1 12 . 1 1 75 75 PHE N N 75 121.235 121.235 120.357 0.878 25447 4990 1 12 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.016 0.022 25447 4991 1 12 . 1 1 75 75 PHE CA C 75 61.015 61.015 62.181 -1.165 25447 4992 1 12 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.232 -0.395 25447 4993 1 12 . 1 1 75 75 PHE H H 75 8.353 8.353 8.505 -0.152 25447 4994 1 12 . 1 1 76 76 VAL N N 76 120.866 120.866 118.936 1.930 25447 4995 1 12 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.325 -0.382 25447 4996 1 12 . 1 1 76 76 VAL CA C 76 66.901 66.901 67.347 -0.446 25447 4997 1 12 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.427 -0.180 25447 4998 1 12 . 1 1 76 76 VAL H H 76 8.544 8.544 7.771 0.773 25447 4999 1 12 . 1 1 77 77 VAL N N 77 121.408 121.408 120.228 1.180 25447 5000 1 12 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.738 -0.243 25447 5001 1 12 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.360 0.473 25447 5002 1 12 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.190 0.740 25447 5003 1 12 . 1 1 77 77 VAL H H 77 8.708 8.708 8.135 0.573 25447 5004 1 12 . 1 1 78 78 GLY N N 78 106.402 106.402 107.186 -0.784 25447 5005 1 12 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.124 -0.284 25447 5006 1 12 . 1 1 78 78 GLY H H 78 7.945 7.945 8.539 -0.594 25447 5007 1 12 . 1 1 79 79 ALA N N 79 121.146 121.146 122.491 -1.345 25447 5008 1 12 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.038 0.169 25447 5009 1 12 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.289 -1.360 25447 5010 1 12 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.423 0.838 25447 5011 1 12 . 1 1 79 79 ALA H H 79 7.639 7.639 7.392 0.247 25447 5012 1 12 . 1 1 80 80 THR N N 80 107.668 107.668 110.560 -2.892 25447 5013 1 12 . 1 1 80 80 THR HA H 80 4.443 4.443 4.248 0.195 25447 5014 1 12 . 1 1 80 80 THR CA C 80 61.406 61.406 63.360 -1.954 25447 5015 1 12 . 1 1 80 80 THR CB C 80 70.767 70.767 69.817 0.950 25447 5016 1 12 . 1 1 80 80 THR H H 80 7.449 7.449 7.825 -0.376 25447 5017 1 12 . 1 1 81 81 THR N N 81 119.953 119.953 116.163 3.790 25447 5018 1 12 . 1 1 81 81 THR HA H 81 4.665 4.665 4.823 -0.158 25447 5019 1 12 . 1 1 81 81 THR CA C 81 60.412 60.412 58.760 1.652 25447 5020 1 12 . 1 1 81 81 THR CB C 81 70.113 70.113 69.965 0.148 25447 5021 1 12 . 1 1 81 81 THR H H 81 7.685 7.685 7.950 -0.265 25447 5022 1 12 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.327 0.362 25447 5023 1 12 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.333 -0.645 25447 5024 1 12 . 1 1 82 82 PRO CB C 82 30.969 30.969 31.196 -0.227 25447 5025 1 12 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.296 0.185 25447 5026 1 12 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.799 0.132 25447 5027 1 12 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.195 -0.002 25447 5028 1 12 . 1 1 84 84 VAL N N 84 120.691 120.691 122.475 -1.784 25447 5029 1 12 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.127 -0.034 25447 5030 1 12 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.845 0.494 25447 5031 1 12 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.792 0.059 25447 5032 1 12 . 1 1 84 84 VAL H H 84 8.257 8.257 8.090 0.167 25447 5033 1 12 . 1 1 85 85 GLU N N 85 127.655 127.655 123.658 3.997 25447 5034 1 12 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.885 0.399 25447 5035 1 12 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.328 0.426 25447 5036 1 12 . 1 1 85 85 GLU CB C 85 30.559 30.559 27.701 2.858 25447 5037 1 12 . 1 1 85 85 GLU H H 85 8.202 8.202 8.781 -0.579 25447 5038 1 12 . 1 1 86 86 ALA N N 86 126.437 126.437 120.596 5.841 25447 5039 1 12 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.085 -0.034 25447 5040 1 12 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.658 -0.510 25447 5041 1 12 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.560 -0.100 25447 5042 1 12 . 1 1 86 86 ALA H H 86 8.323 8.323 7.877 0.446 25447 5043 1 12 . 1 1 87 87 LYS N N 87 121.796 121.796 120.686 1.110 25447 5044 1 12 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.054 0.293 25447 5045 1 12 . 1 1 87 87 LYS CA C 87 56.297 56.297 57.828 -1.531 25447 5046 1 12 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.541 0.735 25447 5047 1 12 . 1 1 87 87 LYS H H 87 8.333 8.333 8.448 -0.115 25447 5048 1 12 . 1 1 88 88 LEU N N 88 125.576 125.576 120.934 4.642 25447 5049 1 12 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.429 -0.522 25447 5050 1 12 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.569 1.204 25447 5051 1 12 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.267 0.205 25447 5052 1 12 . 1 1 88 88 LEU H H 88 8.444 8.444 7.619 0.825 25447 5053 1 13 . 1 1 1 1 MET N N 1 120.668 120.668 114.418 6.250 25447 5054 1 13 . 1 1 1 1 MET HA H 1 4.484 4.484 4.201 0.283 25447 5055 1 13 . 1 1 1 1 MET CA C 1 55.257 55.257 56.871 -1.614 25447 5056 1 13 . 1 1 1 1 MET CB C 1 34.517 34.517 32.980 1.537 25447 5057 1 13 . 1 1 1 1 MET H H 1 8.313 8.313 7.807 0.506 25447 5058 1 13 . 1 1 2 2 GLN N N 2 123.739 123.739 116.515 7.224 25447 5059 1 13 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.819 0.211 25447 5060 1 13 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.422 1.452 25447 5061 1 13 . 1 1 2 2 GLN CB C 2 29.938 29.938 27.053 2.885 25447 5062 1 13 . 1 1 2 2 GLN H H 2 9.455 9.455 7.627 1.828 25447 5063 1 13 . 1 1 3 3 HIS N N 3 119.115 119.115 114.643 4.472 25447 5064 1 13 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.344 0.772 25447 5065 1 13 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.267 -0.772 25447 5066 1 13 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.486 3.529 25447 5067 1 13 . 1 1 3 3 HIS H H 3 9.783 9.783 8.294 1.489 25447 5068 1 13 . 1 1 4 4 ALA N N 4 122.648 122.648 122.361 0.287 25447 5069 1 13 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.098 -0.195 25447 5070 1 13 . 1 1 4 4 ALA CA C 4 56.479 56.479 54.934 1.545 25447 5071 1 13 . 1 1 4 4 ALA CB C 4 19.194 19.194 19.167 0.027 25447 5072 1 13 . 1 1 4 4 ALA H H 4 7.551 7.551 7.938 -0.387 25447 5073 1 13 . 1 1 5 5 SER N N 5 112.599 112.599 112.878 -0.279 25447 5074 1 13 . 1 1 5 5 SER HA H 5 4.298 4.298 4.212 0.086 25447 5075 1 13 . 1 1 5 5 SER CA C 5 62.117 62.117 61.159 0.958 25447 5076 1 13 . 1 1 5 5 SER CB C 5 62.334 62.334 62.787 -0.453 25447 5077 1 13 . 1 1 5 5 SER H H 5 8.736 8.736 8.191 0.545 25447 5078 1 13 . 1 1 6 6 VAL N N 6 122.866 122.866 121.445 1.421 25447 5079 1 13 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.719 0.386 25447 5080 1 13 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.325 -0.593 25447 5081 1 13 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.632 1.105 25447 5082 1 13 . 1 1 6 6 VAL H H 6 7.660 7.660 7.523 0.137 25447 5083 1 13 . 1 1 7 7 ILE N N 7 121.715 121.715 120.155 1.560 25447 5084 1 13 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.053 0.171 25447 5085 1 13 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.924 -0.595 25447 5086 1 13 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.554 1.139 25447 5087 1 13 . 1 1 7 7 ILE H H 7 8.519 8.519 7.592 0.927 25447 5088 1 13 . 1 1 8 8 ALA N N 8 121.373 121.373 121.289 0.084 25447 5089 1 13 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.021 -0.126 25447 5090 1 13 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.306 0.951 25447 5091 1 13 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.029 0.611 25447 5092 1 13 . 1 1 8 8 ALA H H 8 8.940 8.940 8.558 0.382 25447 5093 1 13 . 1 1 9 9 GLN N N 9 115.076 115.076 119.353 -4.277 25447 5094 1 13 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.905 -0.035 25447 5095 1 13 . 1 1 9 9 GLN CA C 9 59.192 59.192 59.039 0.153 25447 5096 1 13 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.568 -0.430 25447 5097 1 13 . 1 1 9 9 GLN H H 9 7.729 7.729 8.169 -0.440 25447 5098 1 13 . 1 1 10 10 PHE N N 10 120.207 120.207 118.126 2.081 25447 5099 1 13 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.838 0.247 25447 5100 1 13 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.637 -0.744 25447 5101 1 13 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.235 0.697 25447 5102 1 13 . 1 1 10 10 PHE H H 10 7.301 7.301 7.804 -0.503 25447 5103 1 13 . 1 1 11 11 VAL N N 11 117.569 117.569 116.928 0.641 25447 5104 1 13 . 1 1 11 11 VAL HA H 11 3.307 3.307 4.060 -0.753 25447 5105 1 13 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.668 0.840 25447 5106 1 13 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.765 -0.278 25447 5107 1 13 . 1 1 11 11 VAL H H 11 8.370 8.370 7.755 0.615 25447 5108 1 13 . 1 1 12 12 VAL N N 12 117.909 117.909 120.600 -2.691 25447 5109 1 13 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.624 0.117 25447 5110 1 13 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.963 -1.087 25447 5111 1 13 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.486 -0.174 25447 5112 1 13 . 1 1 12 12 VAL H H 12 8.294 8.294 8.239 0.055 25447 5113 1 13 . 1 1 13 13 GLU N N 13 117.918 117.918 117.770 0.148 25447 5114 1 13 . 1 1 13 13 GLU HA H 13 3.742 3.742 4.000 -0.258 25447 5115 1 13 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.155 1.152 25447 5116 1 13 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.161 0.328 25447 5117 1 13 . 1 1 13 13 GLU H H 13 7.750 7.750 8.028 -0.278 25447 5118 1 13 . 1 1 14 14 GLU N N 14 113.478 113.478 118.071 -4.593 25447 5119 1 13 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.144 -0.366 25447 5120 1 13 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.739 -1.939 25447 5121 1 13 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.018 -0.375 25447 5122 1 13 . 1 1 14 14 GLU H H 14 7.603 7.603 8.053 -0.450 25447 5123 1 13 . 1 1 15 15 PHE N N 15 114.193 114.193 114.732 -0.539 25447 5124 1 13 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.616 0.323 25447 5125 1 13 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.250 -0.155 25447 5126 1 13 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.147 -0.052 25447 5127 1 13 . 1 1 15 15 PHE H H 15 7.908 7.908 7.490 0.418 25447 5128 1 13 . 1 1 16 16 LEU N N 16 121.492 121.492 122.333 -0.841 25447 5129 1 13 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.828 0.139 25447 5130 1 13 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.339 0.038 25447 5131 1 13 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.447 1.286 25447 5132 1 13 . 1 1 16 16 LEU H H 16 8.015 8.015 7.969 0.046 25447 5133 1 13 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.399 -0.016 25447 5134 1 13 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.932 0.926 25447 5135 1 13 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.834 -0.005 25447 5136 1 13 . 1 1 18 18 ASP N N 18 116.508 116.508 117.542 -1.034 25447 5137 1 13 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.558 0.010 25447 5138 1 13 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.147 1.542 25447 5139 1 13 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.064 0.562 25447 5140 1 13 . 1 1 18 18 ASP H H 18 8.399 8.399 8.514 -0.115 25447 5141 1 13 . 1 1 19 19 VAL N N 19 122.135 122.135 120.660 1.475 25447 5142 1 13 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.146 -0.028 25447 5143 1 13 . 1 1 19 19 VAL CA C 19 61.293 61.293 61.293 -0.000 25447 5144 1 13 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.599 -0.017 25447 5145 1 13 . 1 1 19 19 VAL H H 19 7.760 7.760 7.219 0.541 25447 5146 1 13 . 1 1 20 20 ALA N N 20 129.301 129.301 130.569 -1.268 25447 5147 1 13 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.578 0.021 25447 5148 1 13 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.033 0.237 25447 5149 1 13 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.404 -0.976 25447 5150 1 13 . 1 1 20 20 ALA H H 20 8.761 8.761 8.467 0.294 25447 5151 1 13 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.134 -0.057 25447 5152 1 13 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.529 0.674 25447 5153 1 13 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.709 -0.301 25447 5154 1 13 . 1 1 22 22 ALA N N 22 116.106 116.106 117.256 -1.150 25447 5155 1 13 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.109 0.008 25447 5156 1 13 . 1 1 22 22 ALA CA C 22 53.996 53.996 53.999 -0.003 25447 5157 1 13 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.066 0.778 25447 5158 1 13 . 1 1 22 22 ALA H H 22 8.064 8.064 8.329 -0.266 25447 5159 1 13 . 1 1 23 23 ASP N N 23 115.541 115.541 117.215 -1.674 25447 5160 1 13 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.719 -0.042 25447 5161 1 13 . 1 1 23 23 ASP CA C 23 54.336 54.336 54.668 -0.332 25447 5162 1 13 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.795 0.558 25447 5163 1 13 . 1 1 23 23 ASP H H 23 8.003 8.003 8.042 -0.039 25447 5164 1 13 . 1 1 24 24 VAL N N 24 121.517 121.517 120.595 0.922 25447 5165 1 13 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.122 -0.301 25447 5166 1 13 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.762 0.583 25447 5167 1 13 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.816 -1.083 25447 5168 1 13 . 1 1 24 24 VAL H H 24 7.069 7.069 7.474 -0.405 25447 5169 1 13 . 1 1 25 25 ASP N N 25 129.329 129.329 127.116 2.213 25447 5170 1 13 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.739 -0.165 25447 5171 1 13 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.040 1.526 25447 5172 1 13 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.977 0.356 25447 5173 1 13 . 1 1 25 25 ASP H H 25 8.474 8.474 8.678 -0.204 25447 5174 1 13 . 1 1 26 26 VAL N N 26 121.920 121.920 126.274 -4.354 25447 5175 1 13 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.929 0.178 25447 5176 1 13 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.153 1.365 25447 5177 1 13 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.832 -0.634 25447 5178 1 13 . 1 1 26 26 VAL H H 26 8.591 8.591 8.764 -0.173 25447 5179 1 13 . 1 1 27 27 ASP N N 27 116.286 116.286 119.658 -3.372 25447 5180 1 13 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.683 0.462 25447 5181 1 13 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.569 -0.388 25447 5182 1 13 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.139 1.436 25447 5183 1 13 . 1 1 27 27 ASP H H 27 8.609 8.609 8.078 0.531 25447 5184 1 13 . 1 1 28 28 LEU N N 28 125.116 125.116 122.258 2.858 25447 5185 1 13 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.505 -0.494 25447 5186 1 13 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.198 1.889 25447 5187 1 13 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.066 -0.745 25447 5188 1 13 . 1 1 28 28 LEU H H 28 7.374 7.374 7.458 -0.084 25447 5189 1 13 . 1 1 29 29 ASP N N 29 125.924 125.924 125.037 0.887 25447 5190 1 13 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.621 0.213 25447 5191 1 13 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.143 -1.223 25447 5192 1 13 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.299 0.080 25447 5193 1 13 . 1 1 29 29 ASP H H 29 8.699 8.699 8.696 0.003 25447 5194 1 13 . 1 1 30 30 LEU N N 30 129.975 129.975 125.383 4.592 25447 5195 1 13 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.180 -0.263 25447 5196 1 13 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.183 -0.795 25447 5197 1 13 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.513 -0.274 25447 5198 1 13 . 1 1 30 30 LEU H H 30 9.718 9.718 8.277 1.441 25447 5199 1 13 . 1 1 31 31 VAL N N 31 121.212 121.212 117.574 3.638 25447 5200 1 13 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.660 0.533 25447 5201 1 13 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.303 -1.870 25447 5202 1 13 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.372 0.803 25447 5203 1 13 . 1 1 31 31 VAL H H 31 8.163 8.163 7.420 0.743 25447 5204 1 13 . 1 1 32 32 ASP N N 32 124.893 124.893 118.890 6.003 25447 5205 1 13 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.353 0.005 25447 5206 1 13 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.786 0.439 25447 5207 1 13 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.066 0.669 25447 5208 1 13 . 1 1 32 32 ASP H H 32 9.385 9.385 8.721 0.664 25447 5209 1 13 . 1 1 33 33 ASN N N 33 111.484 111.484 116.569 -5.085 25447 5210 1 13 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.566 0.154 25447 5211 1 13 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.705 0.181 25447 5212 1 13 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.319 -0.312 25447 5213 1 13 . 1 1 33 33 ASN H H 33 7.396 7.396 7.672 -0.276 25447 5214 1 13 . 1 1 34 34 GLY N N 34 106.957 106.957 106.726 0.231 25447 5215 1 13 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.677 0.930 25447 5216 1 13 . 1 1 34 34 GLY H H 34 7.618 7.618 7.929 -0.311 25447 5217 1 13 . 1 1 35 35 VAL N N 35 120.424 120.424 119.122 1.302 25447 5218 1 13 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.766 -0.000 25447 5219 1 13 . 1 1 35 35 VAL CA C 35 65.125 65.125 65.044 0.081 25447 5220 1 13 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.996 -0.117 25447 5221 1 13 . 1 1 35 35 VAL H H 35 7.792 7.792 7.816 -0.024 25447 5222 1 13 . 1 1 36 36 ILE N N 36 116.364 116.364 117.975 -1.611 25447 5223 1 13 . 1 1 36 36 ILE HA H 36 3.737 3.737 4.003 -0.266 25447 5224 1 13 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.417 -0.732 25447 5225 1 13 . 1 1 36 36 ILE CB C 36 38.807 38.807 38.416 0.391 25447 5226 1 13 . 1 1 36 36 ILE H H 36 7.331 7.331 7.842 -0.511 25447 5227 1 13 . 1 1 37 37 ASP N N 37 127.306 127.306 125.896 1.410 25447 5228 1 13 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.641 0.023 25447 5229 1 13 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.550 -0.934 25447 5230 1 13 . 1 1 37 37 ASP CB C 37 41.209 41.209 43.817 -2.608 25447 5231 1 13 . 1 1 37 37 ASP H H 37 7.874 7.874 7.999 -0.125 25447 5232 1 13 . 1 1 38 38 ALA N N 38 120.352 120.352 122.879 -2.527 25447 5233 1 13 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.132 -0.137 25447 5234 1 13 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.252 1.040 25447 5235 1 13 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.514 -0.202 25447 5236 1 13 . 1 1 38 38 ALA H H 38 8.244 8.244 8.306 -0.062 25447 5237 1 13 . 1 1 39 39 LEU N N 39 117.438 117.438 118.259 -0.821 25447 5238 1 13 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.171 0.079 25447 5239 1 13 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.053 0.302 25447 5240 1 13 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.147 0.089 25447 5241 1 13 . 1 1 39 39 LEU H H 39 7.688 7.688 8.377 -0.689 25447 5242 1 13 . 1 1 40 40 GLY N N 40 112.015 112.015 107.835 4.180 25447 5243 1 13 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.169 0.930 25447 5244 1 13 . 1 1 40 40 GLY H H 40 8.732 8.732 8.268 0.464 25447 5245 1 13 . 1 1 41 41 LEU N N 41 122.983 122.983 123.770 -0.787 25447 5246 1 13 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.985 -0.134 25447 5247 1 13 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.217 1.115 25447 5248 1 13 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.144 0.495 25447 5249 1 13 . 1 1 41 41 LEU H H 41 8.548 8.548 8.362 0.186 25447 5250 1 13 . 1 1 42 42 LEU N N 42 116.076 116.076 120.434 -4.358 25447 5251 1 13 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.839 0.189 25447 5252 1 13 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.513 -0.449 25447 5253 1 13 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.840 -0.900 25447 5254 1 13 . 1 1 42 42 LEU H H 42 7.168 7.168 7.664 -0.496 25447 5255 1 13 . 1 1 43 43 LYS N N 43 119.831 119.831 118.852 0.979 25447 5256 1 13 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.019 0.265 25447 5257 1 13 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.941 -0.296 25447 5258 1 13 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.305 0.222 25447 5259 1 13 . 1 1 43 43 LYS H H 43 7.640 7.640 8.202 -0.562 25447 5260 1 13 . 1 1 44 44 VAL N N 44 121.046 121.046 120.661 0.385 25447 5261 1 13 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.104 -0.155 25447 5262 1 13 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.635 0.008 25447 5263 1 13 . 1 1 44 44 VAL H H 44 8.269 8.269 7.899 0.370 25447 5264 1 13 . 1 1 45 45 ILE N N 45 119.333 119.333 119.704 -0.371 25447 5265 1 13 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.658 -0.254 25447 5266 1 13 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.177 1.971 25447 5267 1 13 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.220 1.057 25447 5268 1 13 . 1 1 45 45 ILE H H 45 8.145 8.145 7.846 0.299 25447 5269 1 13 . 1 1 46 46 ALA N N 46 121.213 121.213 123.782 -2.569 25447 5270 1 13 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.454 -0.197 25447 5271 1 13 . 1 1 46 46 ALA CA C 46 55.164 55.164 54.851 0.313 25447 5272 1 13 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.555 -0.187 25447 5273 1 13 . 1 1 46 46 ALA H H 46 7.792 7.792 8.033 -0.241 25447 5274 1 13 . 1 1 47 47 TRP N N 47 121.416 121.416 119.915 1.501 25447 5275 1 13 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.514 -0.280 25447 5276 1 13 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.611 2.059 25447 5277 1 13 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.527 -1.288 25447 5278 1 13 . 1 1 47 47 TRP H H 47 8.093 8.093 7.943 0.150 25447 5279 1 13 . 1 1 48 48 LEU N N 48 118.963 118.963 121.263 -2.300 25447 5280 1 13 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.917 0.669 25447 5281 1 13 . 1 1 48 48 LEU CA C 48 58.195 58.195 56.977 1.218 25447 5282 1 13 . 1 1 48 48 LEU CB C 48 42.251 42.251 40.618 1.633 25447 5283 1 13 . 1 1 48 48 LEU H H 48 8.693 8.693 7.417 1.276 25447 5284 1 13 . 1 1 49 49 GLU N N 49 119.131 119.131 117.639 1.492 25447 5285 1 13 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.958 0.092 25447 5286 1 13 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.165 0.697 25447 5287 1 13 . 1 1 49 49 GLU CB C 49 29.586 29.586 29.036 0.550 25447 5288 1 13 . 1 1 49 49 GLU H H 49 7.771 7.771 7.792 -0.021 25447 5289 1 13 . 1 1 50 50 ASP N N 50 119.941 119.941 121.014 -1.073 25447 5290 1 13 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.432 -0.195 25447 5291 1 13 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.651 0.704 25447 5292 1 13 . 1 1 50 50 ASP CB C 50 42.383 42.383 41.023 1.359 25447 5293 1 13 . 1 1 50 50 ASP H H 50 7.697 7.697 7.625 0.072 25447 5294 1 13 . 1 1 51 51 ARG N N 51 116.911 116.911 118.055 -1.144 25447 5295 1 13 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.188 -0.452 25447 5296 1 13 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.392 -2.028 25447 5297 1 13 . 1 1 51 51 ARG CB C 51 29.315 29.315 29.833 -0.518 25447 5298 1 13 . 1 1 51 51 ARG H H 51 8.881 8.881 8.072 0.809 25447 5299 1 13 . 1 1 52 52 PHE N N 52 112.328 112.328 118.799 -6.471 25447 5300 1 13 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.501 0.174 25447 5301 1 13 . 1 1 52 52 PHE CA C 52 57.413 57.413 59.092 -1.679 25447 5302 1 13 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.438 1.454 25447 5303 1 13 . 1 1 52 52 PHE H H 52 7.284 7.284 7.762 -0.478 25447 5304 1 13 . 1 1 53 53 GLY N N 53 109.826 109.826 107.981 1.845 25447 5305 1 13 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.463 1.338 25447 5306 1 13 . 1 1 53 53 GLY H H 53 7.427 7.427 7.776 -0.349 25447 5307 1 13 . 1 1 54 54 ILE N N 54 119.127 119.127 115.034 4.093 25447 5308 1 13 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.534 -0.583 25447 5309 1 13 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.087 1.598 25447 5310 1 13 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.953 -0.463 25447 5311 1 13 . 1 1 54 54 ILE H H 54 6.876 6.876 7.493 -0.617 25447 5312 1 13 . 1 1 55 55 ALA N N 55 129.823 129.823 123.312 6.511 25447 5313 1 13 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.573 -0.159 25447 5314 1 13 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.620 0.990 25447 5315 1 13 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.041 -0.779 25447 5316 1 13 . 1 1 55 55 ALA H H 55 8.499 8.499 8.450 0.049 25447 5317 1 13 . 1 1 56 56 ALA N N 56 126.300 126.300 125.745 0.555 25447 5318 1 13 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.100 0.169 25447 5319 1 13 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.650 -1.176 25447 5320 1 13 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.804 0.440 25447 5321 1 13 . 1 1 56 56 ALA H H 56 8.641 8.641 8.545 0.096 25447 5322 1 13 . 1 1 57 57 ASP N N 57 116.395 116.395 118.128 -1.733 25447 5323 1 13 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.314 0.165 25447 5324 1 13 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.629 -1.403 25447 5325 1 13 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.193 0.729 25447 5326 1 13 . 1 1 57 57 ASP H H 57 8.337 8.337 8.536 -0.199 25447 5327 1 13 . 1 1 58 58 ASP N N 58 118.557 118.557 118.132 0.425 25447 5328 1 13 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.476 0.160 25447 5329 1 13 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.843 -0.699 25447 5330 1 13 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.351 0.153 25447 5331 1 13 . 1 1 58 58 ASP H H 58 8.027 8.027 7.923 0.104 25447 5332 1 13 . 1 1 59 59 VAL N N 59 118.898 118.898 118.694 0.204 25447 5333 1 13 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.252 -0.076 25447 5334 1 13 . 1 1 59 59 VAL CA C 59 62.300 62.300 60.949 1.351 25447 5335 1 13 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.314 -1.236 25447 5336 1 13 . 1 1 59 59 VAL H H 59 7.716 7.716 7.610 0.106 25447 5337 1 13 . 1 1 60 60 GLU N N 60 122.888 122.888 125.944 -3.056 25447 5338 1 13 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.374 -0.090 25447 5339 1 13 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.952 0.594 25447 5340 1 13 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.410 -0.628 25447 5341 1 13 . 1 1 60 60 GLU H H 60 8.367 8.367 8.384 -0.017 25447 5342 1 13 . 1 1 61 61 LEU N N 61 124.827 124.827 125.817 -0.990 25447 5343 1 13 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.488 -0.130 25447 5344 1 13 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.063 0.753 25447 5345 1 13 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.107 -1.170 25447 5346 1 13 . 1 1 61 61 LEU H H 61 8.198 8.198 8.454 -0.256 25447 5347 1 13 . 1 1 62 62 SER N N 62 118.715 118.715 118.974 -0.259 25447 5348 1 13 . 1 1 62 62 SER HA H 62 4.809 4.809 4.928 -0.119 25447 5349 1 13 . 1 1 62 62 SER CA C 62 55.732 55.732 55.725 0.007 25447 5350 1 13 . 1 1 62 62 SER CB C 62 64.017 64.017 64.966 -0.949 25447 5351 1 13 . 1 1 62 62 SER H H 62 8.137 8.137 8.234 -0.097 25447 5352 1 13 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.281 -0.028 25447 5353 1 13 . 1 1 63 63 PRO CA C 63 64.896 64.896 64.863 0.033 25447 5354 1 13 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.906 0.146 25447 5355 1 13 . 1 1 64 64 GLU N N 64 116.554 116.554 119.494 -2.940 25447 5356 1 13 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.121 -0.248 25447 5357 1 13 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.990 -0.271 25447 5358 1 13 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.175 -0.494 25447 5359 1 13 . 1 1 64 64 GLU H H 64 8.316 8.316 8.450 -0.134 25447 5360 1 13 . 1 1 65 65 HIS N N 65 115.487 115.487 119.924 -4.437 25447 5361 1 13 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.271 0.009 25447 5362 1 13 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.210 -0.558 25447 5363 1 13 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.470 0.412 25447 5364 1 13 . 1 1 65 65 HIS H H 65 7.274 7.274 7.938 -0.664 25447 5365 1 13 . 1 1 66 66 PHE N N 66 116.127 116.127 116.701 -0.574 25447 5366 1 13 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.504 0.262 25447 5367 1 13 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.995 -2.213 25447 5368 1 13 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.591 1.317 25447 5369 1 13 . 1 1 66 66 PHE H H 66 7.239 7.239 7.725 -0.486 25447 5370 1 13 . 1 1 67 67 ARG N N 67 112.468 112.468 119.228 -6.760 25447 5371 1 13 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.990 0.095 25447 5372 1 13 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.015 -0.728 25447 5373 1 13 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.292 1.468 25447 5374 1 13 . 1 1 67 67 ARG H H 67 6.628 6.628 7.760 -1.132 25447 5375 1 13 . 1 1 68 68 SER N N 68 109.305 109.305 111.313 -2.008 25447 5376 1 13 . 1 1 68 68 SER HA H 68 4.980 4.980 4.857 0.123 25447 5377 1 13 . 1 1 68 68 SER CA C 68 55.785 55.785 56.400 -0.615 25447 5378 1 13 . 1 1 68 68 SER CB C 68 67.691 67.691 66.744 0.947 25447 5379 1 13 . 1 1 68 68 SER H H 68 8.145 8.145 7.252 0.893 25447 5380 1 13 . 1 1 69 69 ILE N N 69 122.602 122.602 122.536 0.066 25447 5381 1 13 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.812 -0.136 25447 5382 1 13 . 1 1 69 69 ILE CA C 69 66.754 66.754 64.954 1.800 25447 5383 1 13 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.552 -0.256 25447 5384 1 13 . 1 1 69 69 ILE H H 69 9.775 9.775 9.145 0.630 25447 5385 1 13 . 1 1 70 70 ARG N N 70 118.764 118.764 119.308 -0.544 25447 5386 1 13 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.966 -0.011 25447 5387 1 13 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.783 0.750 25447 5388 1 13 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.627 0.791 25447 5389 1 13 . 1 1 70 70 ARG H H 70 8.910 8.910 8.421 0.489 25447 5390 1 13 . 1 1 71 71 SER N N 71 117.670 117.670 114.342 3.328 25447 5391 1 13 . 1 1 71 71 SER HA H 71 4.330 4.330 4.194 0.136 25447 5392 1 13 . 1 1 71 71 SER CA C 71 62.287 62.287 61.437 0.850 25447 5393 1 13 . 1 1 71 71 SER CB C 71 63.278 63.278 62.666 0.612 25447 5394 1 13 . 1 1 71 71 SER H H 71 8.518 8.518 7.452 1.066 25447 5395 1 13 . 1 1 72 72 ILE N N 72 127.447 127.447 122.515 4.932 25447 5396 1 13 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.678 0.232 25447 5397 1 13 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.045 1.766 25447 5398 1 13 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.539 0.858 25447 5399 1 13 . 1 1 72 72 ILE H H 72 8.762 8.762 7.476 1.286 25447 5400 1 13 . 1 1 73 73 ASP N N 73 121.636 121.636 120.181 1.455 25447 5401 1 13 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.350 -0.337 25447 5402 1 13 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.396 1.752 25447 5403 1 13 . 1 1 73 73 ASP CB C 73 43.540 43.540 39.749 3.791 25447 5404 1 13 . 1 1 73 73 ASP H H 73 8.677 8.677 8.449 0.228 25447 5405 1 13 . 1 1 74 74 ALA N N 74 118.793 118.793 122.988 -4.195 25447 5406 1 13 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.043 0.001 25447 5407 1 13 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.163 0.157 25447 5408 1 13 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.680 -0.735 25447 5409 1 13 . 1 1 74 74 ALA H H 74 8.005 8.005 7.636 0.369 25447 5410 1 13 . 1 1 75 75 PHE N N 75 121.235 121.235 119.570 1.665 25447 5411 1 13 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.068 -0.030 25447 5412 1 13 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.538 -0.523 25447 5413 1 13 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.448 -0.611 25447 5414 1 13 . 1 1 75 75 PHE H H 75 8.353 8.353 8.142 0.211 25447 5415 1 13 . 1 1 76 76 VAL N N 76 120.866 120.866 118.309 2.557 25447 5416 1 13 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.336 -0.393 25447 5417 1 13 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.795 0.106 25447 5418 1 13 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.157 0.090 25447 5419 1 13 . 1 1 76 76 VAL H H 76 8.544 8.544 8.440 0.104 25447 5420 1 13 . 1 1 77 77 VAL N N 77 121.408 121.408 120.953 0.455 25447 5421 1 13 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.683 -0.188 25447 5422 1 13 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.708 0.125 25447 5423 1 13 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.669 0.261 25447 5424 1 13 . 1 1 77 77 VAL H H 77 8.708 8.708 8.304 0.404 25447 5425 1 13 . 1 1 78 78 GLY N N 78 106.402 106.402 105.597 0.805 25447 5426 1 13 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.426 0.414 25447 5427 1 13 . 1 1 78 78 GLY H H 78 7.945 7.945 8.050 -0.105 25447 5428 1 13 . 1 1 79 79 ALA N N 79 121.146 121.146 121.809 -0.663 25447 5429 1 13 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.957 0.250 25447 5430 1 13 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.190 -1.261 25447 5431 1 13 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.673 0.588 25447 5432 1 13 . 1 1 79 79 ALA H H 79 7.639 7.639 7.190 0.449 25447 5433 1 13 . 1 1 80 80 THR N N 80 107.668 107.668 107.293 0.375 25447 5434 1 13 . 1 1 80 80 THR HA H 80 4.443 4.443 4.465 -0.022 25447 5435 1 13 . 1 1 80 80 THR CA C 80 61.406 61.406 62.322 -0.916 25447 5436 1 13 . 1 1 80 80 THR CB C 80 70.767 70.767 70.907 -0.140 25447 5437 1 13 . 1 1 80 80 THR H H 80 7.449 7.449 7.791 -0.342 25447 5438 1 13 . 1 1 81 81 THR N N 81 119.953 119.953 118.125 1.828 25447 5439 1 13 . 1 1 81 81 THR HA H 81 4.665 4.665 4.871 -0.206 25447 5440 1 13 . 1 1 81 81 THR CA C 81 60.412 60.412 59.272 1.140 25447 5441 1 13 . 1 1 81 81 THR CB C 81 70.113 70.113 69.477 0.636 25447 5442 1 13 . 1 1 81 81 THR H H 81 7.685 7.685 8.159 -0.474 25447 5443 1 13 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.454 0.235 25447 5444 1 13 . 1 1 82 82 PRO CA C 82 61.688 61.688 61.726 -0.038 25447 5445 1 13 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.928 0.041 25447 5446 1 13 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.466 0.015 25447 5447 1 13 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.465 0.466 25447 5448 1 13 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.335 -0.142 25447 5449 1 13 . 1 1 84 84 VAL N N 84 120.691 120.691 121.085 -0.394 25447 5450 1 13 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.156 -0.063 25447 5451 1 13 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.473 0.866 25447 5452 1 13 . 1 1 84 84 VAL CB C 84 32.851 32.851 33.146 -0.295 25447 5453 1 13 . 1 1 84 84 VAL H H 84 8.257 8.257 8.142 0.115 25447 5454 1 13 . 1 1 85 85 GLU N N 85 127.655 127.655 122.819 4.836 25447 5455 1 13 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.902 0.382 25447 5456 1 13 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.379 0.376 25447 5457 1 13 . 1 1 85 85 GLU CB C 85 30.559 30.559 27.626 2.933 25447 5458 1 13 . 1 1 85 85 GLU H H 85 8.202 8.202 8.771 -0.569 25447 5459 1 13 . 1 1 86 86 ALA N N 86 126.437 126.437 120.527 5.910 25447 5460 1 13 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.104 -0.053 25447 5461 1 13 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.706 -0.558 25447 5462 1 13 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.717 -0.257 25447 5463 1 13 . 1 1 86 86 ALA H H 86 8.323 8.323 8.032 0.291 25447 5464 1 13 . 1 1 87 87 LYS N N 87 121.796 121.796 122.214 -0.418 25447 5465 1 13 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.205 0.142 25447 5466 1 13 . 1 1 87 87 LYS CA C 87 56.297 56.297 56.431 -0.134 25447 5467 1 13 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.840 0.437 25447 5468 1 13 . 1 1 87 87 LYS H H 87 8.333 8.333 8.346 -0.013 25447 5469 1 13 . 1 1 88 88 LEU N N 88 125.576 125.576 120.015 5.561 25447 5470 1 13 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.066 -0.159 25447 5471 1 13 . 1 1 88 88 LEU CA C 88 55.772 55.772 55.160 0.612 25447 5472 1 13 . 1 1 88 88 LEU CB C 88 42.472 42.472 40.295 2.177 25447 5473 1 13 . 1 1 88 88 LEU H H 88 8.444 8.444 8.602 -0.158 25447 5474 1 14 . 1 1 1 1 MET N N 1 120.668 120.668 116.082 4.586 25447 5475 1 14 . 1 1 1 1 MET HA H 1 4.484 4.484 4.588 -0.104 25447 5476 1 14 . 1 1 1 1 MET CA C 1 55.257 55.257 55.364 -0.107 25447 5477 1 14 . 1 1 1 1 MET CB C 1 34.517 34.517 32.952 1.565 25447 5478 1 14 . 1 1 1 1 MET H H 1 8.313 8.313 7.643 0.670 25447 5479 1 14 . 1 1 2 2 GLN N N 2 123.739 123.739 116.643 7.096 25447 5480 1 14 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.292 -0.262 25447 5481 1 14 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.900 0.974 25447 5482 1 14 . 1 1 2 2 GLN CB C 2 29.938 29.938 30.030 -0.092 25447 5483 1 14 . 1 1 2 2 GLN H H 2 9.455 9.455 8.463 0.992 25447 5484 1 14 . 1 1 3 3 HIS N N 3 119.115 119.115 117.904 1.211 25447 5485 1 14 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.911 0.205 25447 5486 1 14 . 1 1 3 3 HIS CA C 3 55.494 55.494 55.200 0.294 25447 5487 1 14 . 1 1 3 3 HIS CB C 3 31.015 31.015 30.300 0.715 25447 5488 1 14 . 1 1 3 3 HIS H H 3 9.783 9.783 8.450 1.333 25447 5489 1 14 . 1 1 4 4 ALA N N 4 122.648 122.648 124.370 -1.722 25447 5490 1 14 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.068 -0.165 25447 5491 1 14 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.714 0.765 25447 5492 1 14 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.257 0.937 25447 5493 1 14 . 1 1 4 4 ALA H H 4 7.551 7.551 7.857 -0.306 25447 5494 1 14 . 1 1 5 5 SER N N 5 112.599 112.599 113.466 -0.867 25447 5495 1 14 . 1 1 5 5 SER HA H 5 4.298 4.298 4.192 0.105 25447 5496 1 14 . 1 1 5 5 SER CA C 5 62.117 62.117 61.773 0.344 25447 5497 1 14 . 1 1 5 5 SER CB C 5 62.334 62.334 62.792 -0.458 25447 5498 1 14 . 1 1 5 5 SER H H 5 8.736 8.736 8.435 0.301 25447 5499 1 14 . 1 1 6 6 VAL N N 6 122.866 122.866 122.577 0.289 25447 5500 1 14 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.809 0.296 25447 5501 1 14 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.471 -0.739 25447 5502 1 14 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.659 1.078 25447 5503 1 14 . 1 1 6 6 VAL H H 6 7.660 7.660 7.488 0.172 25447 5504 1 14 . 1 1 7 7 ILE N N 7 121.715 121.715 120.006 1.709 25447 5505 1 14 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.189 0.035 25447 5506 1 14 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.840 -0.510 25447 5507 1 14 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.538 1.155 25447 5508 1 14 . 1 1 7 7 ILE H H 7 8.519 8.519 8.031 0.488 25447 5509 1 14 . 1 1 8 8 ALA N N 8 121.373 121.373 121.700 -0.327 25447 5510 1 14 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.030 -0.135 25447 5511 1 14 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.391 0.866 25447 5512 1 14 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.050 0.590 25447 5513 1 14 . 1 1 8 8 ALA H H 8 8.940 8.940 7.960 0.980 25447 5514 1 14 . 1 1 9 9 GLN N N 9 115.076 115.076 118.482 -3.406 25447 5515 1 14 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.936 -0.066 25447 5516 1 14 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.906 0.286 25447 5517 1 14 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.664 -0.526 25447 5518 1 14 . 1 1 9 9 GLN H H 9 7.729 7.729 7.807 -0.078 25447 5519 1 14 . 1 1 10 10 PHE N N 10 120.207 120.207 120.031 0.176 25447 5520 1 14 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.907 0.178 25447 5521 1 14 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.946 -1.053 25447 5522 1 14 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.083 0.849 25447 5523 1 14 . 1 1 10 10 PHE H H 10 7.301 7.301 7.923 -0.622 25447 5524 1 14 . 1 1 11 11 VAL N N 11 117.569 117.569 120.519 -2.950 25447 5525 1 14 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.934 -0.627 25447 5526 1 14 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.992 0.516 25447 5527 1 14 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.959 -0.472 25447 5528 1 14 . 1 1 11 11 VAL H H 11 8.370 8.370 7.836 0.534 25447 5529 1 14 . 1 1 12 12 VAL N N 12 117.909 117.909 119.729 -1.820 25447 5530 1 14 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.534 0.207 25447 5531 1 14 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.673 -0.797 25447 5532 1 14 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.763 -0.451 25447 5533 1 14 . 1 1 12 12 VAL H H 12 8.294 8.294 7.660 0.634 25447 5534 1 14 . 1 1 13 13 GLU N N 13 117.918 117.918 118.212 -0.294 25447 5535 1 14 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.974 -0.232 25447 5536 1 14 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.410 0.897 25447 5537 1 14 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.169 0.320 25447 5538 1 14 . 1 1 13 13 GLU H H 13 7.750 7.750 8.134 -0.384 25447 5539 1 14 . 1 1 14 14 GLU N N 14 113.478 113.478 117.961 -4.483 25447 5540 1 14 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.124 -0.346 25447 5541 1 14 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.761 -1.961 25447 5542 1 14 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.246 -0.603 25447 5543 1 14 . 1 1 14 14 GLU H H 14 7.603 7.603 8.191 -0.588 25447 5544 1 14 . 1 1 15 15 PHE N N 15 114.193 114.193 115.189 -0.996 25447 5545 1 14 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.583 0.356 25447 5546 1 14 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.413 -0.317 25447 5547 1 14 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.266 -0.171 25447 5548 1 14 . 1 1 15 15 PHE H H 15 7.908 7.908 7.554 0.354 25447 5549 1 14 . 1 1 16 16 LEU N N 16 121.492 121.492 121.864 -0.372 25447 5550 1 14 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.810 0.157 25447 5551 1 14 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.217 0.160 25447 5552 1 14 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.355 1.379 25447 5553 1 14 . 1 1 16 16 LEU H H 16 8.015 8.015 7.997 0.018 25447 5554 1 14 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.431 -0.048 25447 5555 1 14 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.841 1.017 25447 5556 1 14 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.840 -0.011 25447 5557 1 14 . 1 1 18 18 ASP N N 18 116.508 116.508 118.176 -1.668 25447 5558 1 14 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.682 -0.114 25447 5559 1 14 . 1 1 18 18 ASP CA C 18 54.688 54.688 54.139 0.549 25447 5560 1 14 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.588 0.038 25447 5561 1 14 . 1 1 18 18 ASP H H 18 8.399 8.399 8.562 -0.163 25447 5562 1 14 . 1 1 19 19 VAL N N 19 122.135 122.135 120.585 1.550 25447 5563 1 14 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.155 -0.037 25447 5564 1 14 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.285 1.008 25447 5565 1 14 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.107 0.475 25447 5566 1 14 . 1 1 19 19 VAL H H 19 7.760 7.760 7.264 0.496 25447 5567 1 14 . 1 1 20 20 ALA N N 20 129.301 129.301 130.828 -1.527 25447 5568 1 14 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.505 0.094 25447 5569 1 14 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.285 -0.014 25447 5570 1 14 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.297 -0.869 25447 5571 1 14 . 1 1 20 20 ALA H H 20 8.761 8.761 8.392 0.369 25447 5572 1 14 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.155 -0.078 25447 5573 1 14 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.450 0.754 25447 5574 1 14 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.778 -0.370 25447 5575 1 14 . 1 1 22 22 ALA N N 22 116.106 116.106 117.744 -1.638 25447 5576 1 14 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.133 -0.016 25447 5577 1 14 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.113 -0.117 25447 5578 1 14 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.205 0.639 25447 5579 1 14 . 1 1 22 22 ALA H H 22 8.064 8.064 7.915 0.149 25447 5580 1 14 . 1 1 23 23 ASP N N 23 115.541 115.541 117.831 -2.290 25447 5581 1 14 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.638 0.039 25447 5582 1 14 . 1 1 23 23 ASP CA C 23 54.336 54.336 54.032 0.304 25447 5583 1 14 . 1 1 23 23 ASP CB C 23 41.353 41.353 41.111 0.242 25447 5584 1 14 . 1 1 23 23 ASP H H 23 8.003 8.003 8.203 -0.200 25447 5585 1 14 . 1 1 24 24 VAL N N 24 121.517 121.517 120.741 0.776 25447 5586 1 14 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.182 -0.361 25447 5587 1 14 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.567 0.778 25447 5588 1 14 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.491 -1.758 25447 5589 1 14 . 1 1 24 24 VAL H H 24 7.069 7.069 7.449 -0.380 25447 5590 1 14 . 1 1 25 25 ASP N N 25 129.329 129.329 126.804 2.525 25447 5591 1 14 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.822 -0.248 25447 5592 1 14 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.670 0.896 25447 5593 1 14 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.645 0.688 25447 5594 1 14 . 1 1 25 25 ASP H H 25 8.474 8.474 8.694 -0.220 25447 5595 1 14 . 1 1 26 26 VAL N N 26 121.920 121.920 118.712 3.208 25447 5596 1 14 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.953 0.155 25447 5597 1 14 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.799 0.719 25447 5598 1 14 . 1 1 26 26 VAL CB C 26 31.198 31.198 32.221 -1.023 25447 5599 1 14 . 1 1 26 26 VAL H H 26 8.591 8.591 8.356 0.235 25447 5600 1 14 . 1 1 27 27 ASP N N 27 116.286 116.286 118.282 -1.996 25447 5601 1 14 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.642 0.503 25447 5602 1 14 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.357 -0.176 25447 5603 1 14 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.734 1.841 25447 5604 1 14 . 1 1 27 27 ASP H H 27 8.609 8.609 7.955 0.654 25447 5605 1 14 . 1 1 28 28 LEU N N 28 125.116 125.116 121.771 3.345 25447 5606 1 14 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.500 -0.489 25447 5607 1 14 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.388 1.699 25447 5608 1 14 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.896 -0.575 25447 5609 1 14 . 1 1 28 28 LEU H H 28 7.374 7.374 7.348 0.026 25447 5610 1 14 . 1 1 29 29 ASP N N 29 125.924 125.924 124.575 1.349 25447 5611 1 14 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.583 0.251 25447 5612 1 14 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.222 -1.302 25447 5613 1 14 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.315 0.064 25447 5614 1 14 . 1 1 29 29 ASP H H 29 8.699 8.699 8.683 0.016 25447 5615 1 14 . 1 1 30 30 LEU N N 30 129.975 129.975 124.409 5.566 25447 5616 1 14 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.235 -0.318 25447 5617 1 14 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.285 -0.897 25447 5618 1 14 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.512 -0.273 25447 5619 1 14 . 1 1 30 30 LEU H H 30 9.718 9.718 8.262 1.456 25447 5620 1 14 . 1 1 31 31 VAL N N 31 121.212 121.212 115.255 5.957 25447 5621 1 14 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.755 0.438 25447 5622 1 14 . 1 1 31 31 VAL CA C 31 64.433 64.433 65.299 -0.866 25447 5623 1 14 . 1 1 31 31 VAL CB C 31 32.175 32.175 30.723 1.452 25447 5624 1 14 . 1 1 31 31 VAL H H 31 8.163 8.163 7.515 0.648 25447 5625 1 14 . 1 1 32 32 ASP N N 32 124.893 124.893 119.496 5.397 25447 5626 1 14 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.336 0.022 25447 5627 1 14 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.725 0.500 25447 5628 1 14 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.004 0.731 25447 5629 1 14 . 1 1 32 32 ASP H H 32 9.385 9.385 8.743 0.642 25447 5630 1 14 . 1 1 33 33 ASN N N 33 111.484 111.484 116.375 -4.891 25447 5631 1 14 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.593 0.127 25447 5632 1 14 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.657 0.229 25447 5633 1 14 . 1 1 33 33 ASN CB C 33 39.006 39.006 38.957 0.049 25447 5634 1 14 . 1 1 33 33 ASN H H 33 7.396 7.396 7.586 -0.190 25447 5635 1 14 . 1 1 34 34 GLY N N 34 106.957 106.957 105.773 1.184 25447 5636 1 14 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.770 0.837 25447 5637 1 14 . 1 1 34 34 GLY H H 34 7.618 7.618 7.957 -0.339 25447 5638 1 14 . 1 1 35 35 VAL N N 35 120.424 120.424 118.693 1.731 25447 5639 1 14 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.549 0.217 25447 5640 1 14 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.676 0.449 25447 5641 1 14 . 1 1 35 35 VAL CB C 35 31.879 31.879 32.052 -0.173 25447 5642 1 14 . 1 1 35 35 VAL H H 35 7.792 7.792 7.745 0.047 25447 5643 1 14 . 1 1 36 36 ILE N N 36 116.364 116.364 120.244 -3.880 25447 5644 1 14 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.869 -0.132 25447 5645 1 14 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.942 -1.257 25447 5646 1 14 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.192 1.615 25447 5647 1 14 . 1 1 36 36 ILE H H 36 7.331 7.331 7.984 -0.653 25447 5648 1 14 . 1 1 37 37 ASP N N 37 127.306 127.306 127.977 -0.671 25447 5649 1 14 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.812 -0.148 25447 5650 1 14 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.920 -1.304 25447 5651 1 14 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.568 -1.359 25447 5652 1 14 . 1 1 37 37 ASP H H 37 7.874 7.874 7.879 -0.005 25447 5653 1 14 . 1 1 38 38 ALA N N 38 120.352 120.352 122.572 -2.220 25447 5654 1 14 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.088 -0.093 25447 5655 1 14 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.316 0.976 25447 5656 1 14 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.617 -0.305 25447 5657 1 14 . 1 1 38 38 ALA H H 38 8.244 8.244 8.309 -0.065 25447 5658 1 14 . 1 1 39 39 LEU N N 39 117.438 117.438 119.450 -2.012 25447 5659 1 14 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.232 0.018 25447 5660 1 14 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.484 -0.130 25447 5661 1 14 . 1 1 39 39 LEU CB C 39 41.236 41.236 40.977 0.259 25447 5662 1 14 . 1 1 39 39 LEU H H 39 7.688 7.688 8.350 -0.662 25447 5663 1 14 . 1 1 40 40 GLY N N 40 112.015 112.015 107.229 4.786 25447 5664 1 14 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.201 0.898 25447 5665 1 14 . 1 1 40 40 GLY H H 40 8.732 8.732 8.306 0.426 25447 5666 1 14 . 1 1 41 41 LEU N N 41 122.983 122.983 123.341 -0.358 25447 5667 1 14 . 1 1 41 41 LEU HA H 41 3.851 3.851 4.073 -0.222 25447 5668 1 14 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.620 0.712 25447 5669 1 14 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.945 -0.306 25447 5670 1 14 . 1 1 41 41 LEU H H 41 8.548 8.548 7.990 0.558 25447 5671 1 14 . 1 1 42 42 LEU N N 42 116.076 116.076 119.936 -3.860 25447 5672 1 14 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.882 0.146 25447 5673 1 14 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.531 -0.466 25447 5674 1 14 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.813 -0.874 25447 5675 1 14 . 1 1 42 42 LEU H H 42 7.168 7.168 7.632 -0.464 25447 5676 1 14 . 1 1 43 43 LYS N N 43 119.831 119.831 119.075 0.756 25447 5677 1 14 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.063 0.221 25447 5678 1 14 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.868 -0.224 25447 5679 1 14 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.322 0.206 25447 5680 1 14 . 1 1 43 43 LYS H H 43 7.640 7.640 8.306 -0.666 25447 5681 1 14 . 1 1 44 44 VAL N N 44 121.046 121.046 120.180 0.866 25447 5682 1 14 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.056 -0.107 25447 5683 1 14 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.616 0.028 25447 5684 1 14 . 1 1 44 44 VAL H H 44 8.269 8.269 7.890 0.379 25447 5685 1 14 . 1 1 45 45 ILE N N 45 119.333 119.333 119.712 -0.379 25447 5686 1 14 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.596 -0.192 25447 5687 1 14 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.680 1.468 25447 5688 1 14 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.156 1.121 25447 5689 1 14 . 1 1 45 45 ILE H H 45 8.145 8.145 7.781 0.364 25447 5690 1 14 . 1 1 46 46 ALA N N 46 121.213 121.213 123.385 -2.172 25447 5691 1 14 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.099 0.158 25447 5692 1 14 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.173 -0.009 25447 5693 1 14 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.393 -0.025 25447 5694 1 14 . 1 1 46 46 ALA H H 46 7.792 7.792 8.052 -0.260 25447 5695 1 14 . 1 1 47 47 TRP N N 47 121.416 121.416 120.030 1.386 25447 5696 1 14 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.445 -0.211 25447 5697 1 14 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.505 2.165 25447 5698 1 14 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.398 -1.159 25447 5699 1 14 . 1 1 47 47 TRP H H 47 8.093 8.093 7.987 0.106 25447 5700 1 14 . 1 1 48 48 LEU N N 48 118.963 118.963 121.111 -2.148 25447 5701 1 14 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.772 0.814 25447 5702 1 14 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.584 0.611 25447 5703 1 14 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.139 1.112 25447 5704 1 14 . 1 1 48 48 LEU H H 48 8.693 8.693 7.336 1.357 25447 5705 1 14 . 1 1 49 49 GLU N N 49 119.131 119.131 117.374 1.757 25447 5706 1 14 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.975 0.075 25447 5707 1 14 . 1 1 49 49 GLU CA C 49 59.862 59.862 58.916 0.946 25447 5708 1 14 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.728 0.858 25447 5709 1 14 . 1 1 49 49 GLU H H 49 7.771 7.771 7.779 -0.008 25447 5710 1 14 . 1 1 50 50 ASP N N 50 119.941 119.941 120.407 -0.466 25447 5711 1 14 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.415 -0.178 25447 5712 1 14 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.472 0.883 25447 5713 1 14 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.758 1.625 25447 5714 1 14 . 1 1 50 50 ASP H H 50 7.697 7.697 7.571 0.126 25447 5715 1 14 . 1 1 51 51 ARG N N 51 116.911 116.911 117.928 -1.017 25447 5716 1 14 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.006 -0.270 25447 5717 1 14 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.359 -1.995 25447 5718 1 14 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.224 -0.909 25447 5719 1 14 . 1 1 51 51 ARG H H 51 8.881 8.881 7.746 1.135 25447 5720 1 14 . 1 1 52 52 PHE N N 52 112.328 112.328 116.534 -4.206 25447 5721 1 14 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.613 0.062 25447 5722 1 14 . 1 1 52 52 PHE CA C 52 57.413 57.413 58.014 -0.601 25447 5723 1 14 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.332 1.560 25447 5724 1 14 . 1 1 52 52 PHE H H 52 7.284 7.284 7.524 -0.240 25447 5725 1 14 . 1 1 53 53 GLY N N 53 109.826 109.826 108.736 1.090 25447 5726 1 14 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.585 1.216 25447 5727 1 14 . 1 1 53 53 GLY H H 53 7.427 7.427 7.874 -0.447 25447 5728 1 14 . 1 1 54 54 ILE N N 54 119.127 119.127 115.310 3.817 25447 5729 1 14 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.510 -0.559 25447 5730 1 14 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.319 1.366 25447 5731 1 14 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.694 -0.204 25447 5732 1 14 . 1 1 54 54 ILE H H 54 6.876 6.876 7.542 -0.666 25447 5733 1 14 . 1 1 55 55 ALA N N 55 129.823 129.823 124.583 5.240 25447 5734 1 14 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.615 -0.201 25447 5735 1 14 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.348 1.262 25447 5736 1 14 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.379 -1.117 25447 5737 1 14 . 1 1 55 55 ALA H H 55 8.499 8.499 8.484 0.015 25447 5738 1 14 . 1 1 56 56 ALA N N 56 126.300 126.300 126.750 -0.450 25447 5739 1 14 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.034 0.235 25447 5740 1 14 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.279 -0.805 25447 5741 1 14 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.472 0.772 25447 5742 1 14 . 1 1 56 56 ALA H H 56 8.641 8.641 8.866 -0.225 25447 5743 1 14 . 1 1 57 57 ASP N N 57 116.395 116.395 117.962 -1.567 25447 5744 1 14 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.352 0.127 25447 5745 1 14 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.330 -1.104 25447 5746 1 14 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.450 0.472 25447 5747 1 14 . 1 1 57 57 ASP H H 57 8.337 8.337 8.543 -0.206 25447 5748 1 14 . 1 1 58 58 ASP N N 58 118.557 118.557 118.024 0.533 25447 5749 1 14 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.403 0.233 25447 5750 1 14 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.424 -0.280 25447 5751 1 14 . 1 1 58 58 ASP CB C 58 41.504 41.504 40.941 0.563 25447 5752 1 14 . 1 1 58 58 ASP H H 58 8.027 8.027 7.907 0.120 25447 5753 1 14 . 1 1 59 59 VAL N N 59 118.898 118.898 119.182 -0.284 25447 5754 1 14 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.245 -0.069 25447 5755 1 14 . 1 1 59 59 VAL CA C 59 62.300 62.300 60.945 1.355 25447 5756 1 14 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.948 -1.870 25447 5757 1 14 . 1 1 59 59 VAL H H 59 7.716 7.716 7.490 0.226 25447 5758 1 14 . 1 1 60 60 GLU N N 60 122.888 122.888 125.431 -2.543 25447 5759 1 14 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.401 -0.117 25447 5760 1 14 . 1 1 60 60 GLU CA C 60 56.546 56.546 56.137 0.409 25447 5761 1 14 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.544 -0.762 25447 5762 1 14 . 1 1 60 60 GLU H H 60 8.367 8.367 8.354 0.013 25447 5763 1 14 . 1 1 61 61 LEU N N 61 124.827 124.827 122.947 1.880 25447 5764 1 14 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.407 -0.049 25447 5765 1 14 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.657 0.159 25447 5766 1 14 . 1 1 61 61 LEU CB C 61 41.937 41.937 42.790 -0.853 25447 5767 1 14 . 1 1 61 61 LEU H H 61 8.198 8.198 8.317 -0.119 25447 5768 1 14 . 1 1 62 62 SER N N 62 118.715 118.715 119.209 -0.494 25447 5769 1 14 . 1 1 62 62 SER HA H 62 4.809 4.809 5.026 -0.217 25447 5770 1 14 . 1 1 62 62 SER CA C 62 55.732 55.732 54.800 0.932 25447 5771 1 14 . 1 1 62 62 SER CB C 62 64.017 64.017 65.136 -1.119 25447 5772 1 14 . 1 1 62 62 SER H H 62 8.137 8.137 8.317 -0.180 25447 5773 1 14 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.317 -0.064 25447 5774 1 14 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.289 -0.393 25447 5775 1 14 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.809 0.243 25447 5776 1 14 . 1 1 64 64 GLU N N 64 116.554 116.554 119.019 -2.465 25447 5777 1 14 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.143 -0.270 25447 5778 1 14 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.806 -0.087 25447 5779 1 14 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.230 -0.549 25447 5780 1 14 . 1 1 64 64 GLU H H 64 8.316 8.316 8.479 -0.163 25447 5781 1 14 . 1 1 65 65 HIS N N 65 115.487 115.487 119.810 -4.323 25447 5782 1 14 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.147 0.133 25447 5783 1 14 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.035 -0.383 25447 5784 1 14 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.380 0.502 25447 5785 1 14 . 1 1 65 65 HIS H H 65 7.274 7.274 8.302 -1.028 25447 5786 1 14 . 1 1 66 66 PHE N N 66 116.127 116.127 116.375 -0.248 25447 5787 1 14 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.693 0.073 25447 5788 1 14 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.299 -1.517 25447 5789 1 14 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.848 1.060 25447 5790 1 14 . 1 1 66 66 PHE H H 66 7.239 7.239 7.723 -0.484 25447 5791 1 14 . 1 1 67 67 ARG N N 67 112.468 112.468 119.594 -7.126 25447 5792 1 14 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.019 0.066 25447 5793 1 14 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.151 -0.864 25447 5794 1 14 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.518 1.242 25447 5795 1 14 . 1 1 67 67 ARG H H 67 6.628 6.628 7.814 -1.186 25447 5796 1 14 . 1 1 68 68 SER N N 68 109.305 109.305 110.635 -1.330 25447 5797 1 14 . 1 1 68 68 SER HA H 68 4.980 4.980 4.826 0.154 25447 5798 1 14 . 1 1 68 68 SER CA C 68 55.785 55.785 56.881 -1.096 25447 5799 1 14 . 1 1 68 68 SER CB C 68 67.691 67.691 65.918 1.773 25447 5800 1 14 . 1 1 68 68 SER H H 68 8.145 8.145 7.377 0.768 25447 5801 1 14 . 1 1 69 69 ILE N N 69 122.602 122.602 123.425 -0.823 25447 5802 1 14 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.757 -0.081 25447 5803 1 14 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.921 0.833 25447 5804 1 14 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.601 -0.305 25447 5805 1 14 . 1 1 69 69 ILE H H 69 9.775 9.775 9.154 0.621 25447 5806 1 14 . 1 1 70 70 ARG N N 70 118.764 118.764 118.798 -0.034 25447 5807 1 14 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.949 0.006 25447 5808 1 14 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.394 1.139 25447 5809 1 14 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.101 1.317 25447 5810 1 14 . 1 1 70 70 ARG H H 70 8.910 8.910 8.340 0.570 25447 5811 1 14 . 1 1 71 71 SER N N 71 117.670 117.670 115.415 2.255 25447 5812 1 14 . 1 1 71 71 SER HA H 71 4.330 4.330 4.253 0.077 25447 5813 1 14 . 1 1 71 71 SER CA C 71 62.287 62.287 61.015 1.272 25447 5814 1 14 . 1 1 71 71 SER CB C 71 63.278 63.278 62.772 0.506 25447 5815 1 14 . 1 1 71 71 SER H H 71 8.518 8.518 7.452 1.066 25447 5816 1 14 . 1 1 72 72 ILE N N 72 127.447 127.447 122.997 4.450 25447 5817 1 14 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.217 0.693 25447 5818 1 14 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.704 1.107 25447 5819 1 14 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.489 0.909 25447 5820 1 14 . 1 1 72 72 ILE H H 72 8.762 8.762 7.806 0.956 25447 5821 1 14 . 1 1 73 73 ASP N N 73 121.636 121.636 120.044 1.592 25447 5822 1 14 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.347 -0.334 25447 5823 1 14 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.466 1.682 25447 5824 1 14 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.667 2.873 25447 5825 1 14 . 1 1 73 73 ASP H H 73 8.677 8.677 7.966 0.711 25447 5826 1 14 . 1 1 74 74 ALA N N 74 118.793 118.793 121.904 -3.111 25447 5827 1 14 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.077 -0.033 25447 5828 1 14 . 1 1 74 74 ALA CA C 74 55.321 55.321 54.899 0.422 25447 5829 1 14 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.360 -0.415 25447 5830 1 14 . 1 1 74 74 ALA H H 74 8.005 8.005 7.663 0.342 25447 5831 1 14 . 1 1 75 75 PHE N N 75 121.235 121.235 120.093 1.142 25447 5832 1 14 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.045 -0.007 25447 5833 1 14 . 1 1 75 75 PHE CA C 75 61.015 61.015 62.029 -1.014 25447 5834 1 14 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.379 -0.542 25447 5835 1 14 . 1 1 75 75 PHE H H 75 8.353 8.353 8.420 -0.067 25447 5836 1 14 . 1 1 76 76 VAL N N 76 120.866 120.866 119.017 1.849 25447 5837 1 14 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.525 -0.582 25447 5838 1 14 . 1 1 76 76 VAL CA C 76 66.901 66.901 65.976 0.925 25447 5839 1 14 . 1 1 76 76 VAL CB C 76 31.247 31.247 30.904 0.343 25447 5840 1 14 . 1 1 76 76 VAL H H 76 8.544 8.544 8.356 0.188 25447 5841 1 14 . 1 1 77 77 VAL N N 77 121.408 121.408 119.389 2.019 25447 5842 1 14 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.691 -0.196 25447 5843 1 14 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.441 0.392 25447 5844 1 14 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.051 0.879 25447 5845 1 14 . 1 1 77 77 VAL H H 77 8.708 8.708 8.393 0.315 25447 5846 1 14 . 1 1 78 78 GLY N N 78 106.402 106.402 107.148 -0.746 25447 5847 1 14 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.049 -0.209 25447 5848 1 14 . 1 1 78 78 GLY H H 78 7.945 7.945 8.598 -0.653 25447 5849 1 14 . 1 1 79 79 ALA N N 79 121.146 121.146 122.429 -1.283 25447 5850 1 14 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.977 0.230 25447 5851 1 14 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.436 -1.507 25447 5852 1 14 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.316 0.945 25447 5853 1 14 . 1 1 79 79 ALA H H 79 7.639 7.639 7.513 0.126 25447 5854 1 14 . 1 1 80 80 THR N N 80 107.668 107.668 108.040 -0.372 25447 5855 1 14 . 1 1 80 80 THR HA H 80 4.443 4.443 4.184 0.259 25447 5856 1 14 . 1 1 80 80 THR CA C 80 61.406 61.406 63.446 -2.040 25447 5857 1 14 . 1 1 80 80 THR CB C 80 70.767 70.767 69.489 1.278 25447 5858 1 14 . 1 1 80 80 THR H H 80 7.449 7.449 7.495 -0.046 25447 5859 1 14 . 1 1 81 81 THR N N 81 119.953 119.953 116.663 3.290 25447 5860 1 14 . 1 1 81 81 THR HA H 81 4.665 4.665 4.813 -0.148 25447 5861 1 14 . 1 1 81 81 THR CA C 81 60.412 60.412 59.435 0.977 25447 5862 1 14 . 1 1 81 81 THR CB C 81 70.113 70.113 70.417 -0.304 25447 5863 1 14 . 1 1 81 81 THR H H 81 7.685 7.685 7.970 -0.285 25447 5864 1 14 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.434 0.255 25447 5865 1 14 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.504 -0.816 25447 5866 1 14 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.932 0.037 25447 5867 1 14 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.295 0.186 25447 5868 1 14 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.754 0.177 25447 5869 1 14 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.300 -0.107 25447 5870 1 14 . 1 1 84 84 VAL N N 84 120.691 120.691 121.759 -1.068 25447 5871 1 14 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.153 -0.060 25447 5872 1 14 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.118 1.221 25447 5873 1 14 . 1 1 84 84 VAL CB C 84 32.851 32.851 33.438 -0.587 25447 5874 1 14 . 1 1 84 84 VAL H H 84 8.257 8.257 8.038 0.219 25447 5875 1 14 . 1 1 85 85 GLU N N 85 127.655 127.655 125.468 2.187 25447 5876 1 14 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.890 0.394 25447 5877 1 14 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.487 0.267 25447 5878 1 14 . 1 1 85 85 GLU CB C 85 30.559 30.559 27.588 2.971 25447 5879 1 14 . 1 1 85 85 GLU H H 85 8.202 8.202 8.718 -0.516 25447 5880 1 14 . 1 1 86 86 ALA N N 86 126.437 126.437 120.124 6.313 25447 5881 1 14 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.105 -0.054 25447 5882 1 14 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.485 -0.337 25447 5883 1 14 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.631 -0.171 25447 5884 1 14 . 1 1 86 86 ALA H H 86 8.323 8.323 7.889 0.434 25447 5885 1 14 . 1 1 87 87 LYS N N 87 121.796 121.796 120.215 1.581 25447 5886 1 14 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.013 0.334 25447 5887 1 14 . 1 1 87 87 LYS CA C 87 56.297 56.297 57.965 -1.668 25447 5888 1 14 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.529 0.747 25447 5889 1 14 . 1 1 87 87 LYS H H 87 8.333 8.333 8.516 -0.183 25447 5890 1 14 . 1 1 88 88 LEU N N 88 125.576 125.576 120.817 4.759 25447 5891 1 14 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.456 -0.549 25447 5892 1 14 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.189 1.583 25447 5893 1 14 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.383 0.089 25447 5894 1 14 . 1 1 88 88 LEU H H 88 8.444 8.444 7.657 0.787 25447 5895 1 15 . 1 1 1 1 MET N N 1 120.668 120.668 120.970 -0.302 25447 5896 1 15 . 1 1 1 1 MET HA H 1 4.484 4.484 4.154 0.330 25447 5897 1 15 . 1 1 1 1 MET CA C 1 55.257 55.257 57.520 -2.263 25447 5898 1 15 . 1 1 1 1 MET CB C 1 34.517 34.517 33.138 1.379 25447 5899 1 15 . 1 1 1 1 MET H H 1 8.313 8.313 8.467 -0.154 25447 5900 1 15 . 1 1 2 2 GLN N N 2 123.739 123.739 114.103 9.636 25447 5901 1 15 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.724 0.306 25447 5902 1 15 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.351 1.523 25447 5903 1 15 . 1 1 2 2 GLN CB C 2 29.938 29.938 26.979 2.959 25447 5904 1 15 . 1 1 2 2 GLN H H 2 9.455 9.455 8.262 1.193 25447 5905 1 15 . 1 1 3 3 HIS N N 3 119.115 119.115 110.013 9.102 25447 5906 1 15 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.376 0.740 25447 5907 1 15 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.235 -0.741 25447 5908 1 15 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.650 3.365 25447 5909 1 15 . 1 1 3 3 HIS H H 3 9.783 9.783 8.136 1.647 25447 5910 1 15 . 1 1 4 4 ALA N N 4 122.648 122.648 121.851 0.797 25447 5911 1 15 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.177 -0.274 25447 5912 1 15 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.415 1.064 25447 5913 1 15 . 1 1 4 4 ALA CB C 4 19.194 19.194 19.278 -0.084 25447 5914 1 15 . 1 1 4 4 ALA H H 4 7.551 7.551 8.002 -0.451 25447 5915 1 15 . 1 1 5 5 SER N N 5 112.599 112.599 115.137 -2.538 25447 5916 1 15 . 1 1 5 5 SER HA H 5 4.298 4.298 4.214 0.084 25447 5917 1 15 . 1 1 5 5 SER CA C 5 62.117 62.117 61.746 0.371 25447 5918 1 15 . 1 1 5 5 SER CB C 5 62.334 62.334 62.353 -0.019 25447 5919 1 15 . 1 1 5 5 SER H H 5 8.736 8.736 8.409 0.327 25447 5920 1 15 . 1 1 6 6 VAL N N 6 122.866 122.866 122.600 0.266 25447 5921 1 15 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.750 0.355 25447 5922 1 15 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.612 -0.880 25447 5923 1 15 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.873 0.864 25447 5924 1 15 . 1 1 6 6 VAL H H 6 7.660 7.660 7.881 -0.221 25447 5925 1 15 . 1 1 7 7 ILE N N 7 121.715 121.715 119.999 1.716 25447 5926 1 15 . 1 1 7 7 ILE HA H 7 4.224 4.224 3.940 0.284 25447 5927 1 15 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.767 -0.438 25447 5928 1 15 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.579 1.114 25447 5929 1 15 . 1 1 7 7 ILE H H 7 8.519 8.519 7.736 0.783 25447 5930 1 15 . 1 1 8 8 ALA N N 8 121.373 121.373 121.674 -0.301 25447 5931 1 15 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.044 -0.149 25447 5932 1 15 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.421 0.836 25447 5933 1 15 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.144 0.496 25447 5934 1 15 . 1 1 8 8 ALA H H 8 8.940 8.940 7.893 1.047 25447 5935 1 15 . 1 1 9 9 GLN N N 9 115.076 115.076 118.353 -3.277 25447 5936 1 15 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.990 -0.120 25447 5937 1 15 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.885 0.307 25447 5938 1 15 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.719 -0.581 25447 5939 1 15 . 1 1 9 9 GLN H H 9 7.729 7.729 8.216 -0.487 25447 5940 1 15 . 1 1 10 10 PHE N N 10 120.207 120.207 120.769 -0.562 25447 5941 1 15 . 1 1 10 10 PHE HA H 10 4.085 4.085 4.074 0.011 25447 5942 1 15 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.876 -0.983 25447 5943 1 15 . 1 1 10 10 PHE CB C 10 38.932 38.932 39.048 -0.116 25447 5944 1 15 . 1 1 10 10 PHE H H 10 7.301 7.301 8.639 -1.338 25447 5945 1 15 . 1 1 11 11 VAL N N 11 117.569 117.569 117.922 -0.353 25447 5946 1 15 . 1 1 11 11 VAL HA H 11 3.307 3.307 4.148 -0.841 25447 5947 1 15 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.026 1.482 25447 5948 1 15 . 1 1 11 11 VAL CB C 11 31.487 31.487 30.692 0.795 25447 5949 1 15 . 1 1 11 11 VAL H H 11 8.370 8.370 8.023 0.347 25447 5950 1 15 . 1 1 12 12 VAL N N 12 117.909 117.909 121.376 -3.467 25447 5951 1 15 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.694 0.047 25447 5952 1 15 . 1 1 12 12 VAL CA C 12 65.876 65.876 67.064 -1.188 25447 5953 1 15 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.347 -0.035 25447 5954 1 15 . 1 1 12 12 VAL H H 12 8.294 8.294 7.866 0.428 25447 5955 1 15 . 1 1 13 13 GLU N N 13 117.918 117.918 119.163 -1.245 25447 5956 1 15 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.987 -0.245 25447 5957 1 15 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.985 0.322 25447 5958 1 15 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.291 0.198 25447 5959 1 15 . 1 1 13 13 GLU H H 13 7.750 7.750 8.237 -0.487 25447 5960 1 15 . 1 1 14 14 GLU N N 14 113.478 113.478 118.385 -4.907 25447 5961 1 15 . 1 1 14 14 GLU HA H 14 3.778 3.778 3.880 -0.102 25447 5962 1 15 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.996 -2.196 25447 5963 1 15 . 1 1 14 14 GLU CB C 14 29.643 29.643 29.833 -0.190 25447 5964 1 15 . 1 1 14 14 GLU H H 14 7.603 7.603 8.132 -0.529 25447 5965 1 15 . 1 1 15 15 PHE N N 15 114.193 114.193 114.854 -0.661 25447 5966 1 15 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.688 0.251 25447 5967 1 15 . 1 1 15 15 PHE CA C 15 58.095 58.095 59.593 -1.498 25447 5968 1 15 . 1 1 15 15 PHE CB C 15 42.095 42.095 41.485 0.610 25447 5969 1 15 . 1 1 15 15 PHE H H 15 7.908 7.908 7.650 0.258 25447 5970 1 15 . 1 1 16 16 LEU N N 16 121.492 121.492 120.623 0.869 25447 5971 1 15 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.879 0.088 25447 5972 1 15 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.176 0.201 25447 5973 1 15 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.380 1.353 25447 5974 1 15 . 1 1 16 16 LEU H H 16 8.015 8.015 7.994 0.021 25447 5975 1 15 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.441 -0.058 25447 5976 1 15 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.026 0.832 25447 5977 1 15 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.839 -0.010 25447 5978 1 15 . 1 1 18 18 ASP N N 18 116.508 116.508 118.168 -1.660 25447 5979 1 15 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.718 -0.150 25447 5980 1 15 . 1 1 18 18 ASP CA C 18 54.688 54.688 54.069 0.619 25447 5981 1 15 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.683 -0.057 25447 5982 1 15 . 1 1 18 18 ASP H H 18 8.399 8.399 8.596 -0.197 25447 5983 1 15 . 1 1 19 19 VAL N N 19 122.135 122.135 120.486 1.649 25447 5984 1 15 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.168 -0.050 25447 5985 1 15 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.458 0.835 25447 5986 1 15 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.544 0.039 25447 5987 1 15 . 1 1 19 19 VAL H H 19 7.760 7.760 7.300 0.460 25447 5988 1 15 . 1 1 20 20 ALA N N 20 129.301 129.301 130.303 -1.002 25447 5989 1 15 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.521 0.078 25447 5990 1 15 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.344 -0.074 25447 5991 1 15 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.322 -0.894 25447 5992 1 15 . 1 1 20 20 ALA H H 20 8.761 8.761 8.486 0.275 25447 5993 1 15 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.179 -0.102 25447 5994 1 15 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.538 0.665 25447 5995 1 15 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.820 -0.412 25447 5996 1 15 . 1 1 22 22 ALA N N 22 116.106 116.106 118.374 -2.268 25447 5997 1 15 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.157 -0.040 25447 5998 1 15 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.043 -0.047 25447 5999 1 15 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.388 0.456 25447 6000 1 15 . 1 1 22 22 ALA H H 22 8.064 8.064 8.007 0.057 25447 6001 1 15 . 1 1 23 23 ASP N N 23 115.541 115.541 116.965 -1.424 25447 6002 1 15 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.569 0.108 25447 6003 1 15 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.735 0.601 25447 6004 1 15 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.356 0.997 25447 6005 1 15 . 1 1 23 23 ASP H H 23 8.003 8.003 8.118 -0.115 25447 6006 1 15 . 1 1 24 24 VAL N N 24 121.517 121.517 121.046 0.471 25447 6007 1 15 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.155 -0.334 25447 6008 1 15 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.588 0.757 25447 6009 1 15 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.078 -1.345 25447 6010 1 15 . 1 1 24 24 VAL H H 24 7.069 7.069 7.475 -0.406 25447 6011 1 15 . 1 1 25 25 ASP N N 25 129.329 129.329 127.331 1.998 25447 6012 1 15 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.848 -0.274 25447 6013 1 15 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.507 1.059 25447 6014 1 15 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.705 0.628 25447 6015 1 15 . 1 1 25 25 ASP H H 25 8.474 8.474 8.730 -0.256 25447 6016 1 15 . 1 1 26 26 VAL N N 26 121.920 121.920 121.254 0.666 25447 6017 1 15 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.046 0.062 25447 6018 1 15 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.761 0.757 25447 6019 1 15 . 1 1 26 26 VAL CB C 26 31.198 31.198 32.248 -1.050 25447 6020 1 15 . 1 1 26 26 VAL H H 26 8.591 8.591 8.580 0.011 25447 6021 1 15 . 1 1 27 27 ASP N N 27 116.286 116.286 118.126 -1.840 25447 6022 1 15 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.648 0.497 25447 6023 1 15 . 1 1 27 27 ASP CA C 27 54.181 54.181 55.014 -0.833 25447 6024 1 15 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.837 1.738 25447 6025 1 15 . 1 1 27 27 ASP H H 27 8.609 8.609 8.181 0.428 25447 6026 1 15 . 1 1 28 28 LEU N N 28 125.116 125.116 121.872 3.244 25447 6027 1 15 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.480 -0.469 25447 6028 1 15 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.275 1.812 25447 6029 1 15 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.851 -0.530 25447 6030 1 15 . 1 1 28 28 LEU H H 28 7.374 7.374 7.306 0.068 25447 6031 1 15 . 1 1 29 29 ASP N N 29 125.924 125.924 123.779 2.145 25447 6032 1 15 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.603 0.231 25447 6033 1 15 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.139 -1.219 25447 6034 1 15 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.333 0.047 25447 6035 1 15 . 1 1 29 29 ASP H H 29 8.699 8.699 8.632 0.067 25447 6036 1 15 . 1 1 30 30 LEU N N 30 129.975 129.975 125.037 4.938 25447 6037 1 15 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.229 -0.312 25447 6038 1 15 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.404 -1.016 25447 6039 1 15 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.580 -0.341 25447 6040 1 15 . 1 1 30 30 LEU H H 30 9.718 9.718 7.981 1.737 25447 6041 1 15 . 1 1 31 31 VAL N N 31 121.212 121.212 114.681 6.531 25447 6042 1 15 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.656 0.537 25447 6043 1 15 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.303 -1.871 25447 6044 1 15 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.402 0.773 25447 6045 1 15 . 1 1 31 31 VAL H H 31 8.163 8.163 7.341 0.822 25447 6046 1 15 . 1 1 32 32 ASP N N 32 124.893 124.893 119.481 5.412 25447 6047 1 15 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.315 0.043 25447 6048 1 15 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.718 0.507 25447 6049 1 15 . 1 1 32 32 ASP CB C 32 40.735 40.735 39.990 0.745 25447 6050 1 15 . 1 1 32 32 ASP H H 32 9.385 9.385 8.711 0.674 25447 6051 1 15 . 1 1 33 33 ASN N N 33 111.484 111.484 116.163 -4.679 25447 6052 1 15 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.575 0.145 25447 6053 1 15 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.715 0.171 25447 6054 1 15 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.017 -0.011 25447 6055 1 15 . 1 1 33 33 ASN H H 33 7.396 7.396 7.547 -0.151 25447 6056 1 15 . 1 1 34 34 GLY N N 34 106.957 106.957 106.048 0.909 25447 6057 1 15 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.572 1.035 25447 6058 1 15 . 1 1 34 34 GLY H H 34 7.618 7.618 7.828 -0.210 25447 6059 1 15 . 1 1 35 35 VAL N N 35 120.424 120.424 118.535 1.889 25447 6060 1 15 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.422 0.344 25447 6061 1 15 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.272 0.853 25447 6062 1 15 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.872 0.007 25447 6063 1 15 . 1 1 35 35 VAL H H 35 7.792 7.792 7.419 0.373 25447 6064 1 15 . 1 1 36 36 ILE N N 36 116.364 116.364 119.803 -3.439 25447 6065 1 15 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.811 -0.074 25447 6066 1 15 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.134 -0.449 25447 6067 1 15 . 1 1 36 36 ILE CB C 36 38.807 38.807 38.095 0.712 25447 6068 1 15 . 1 1 36 36 ILE H H 36 7.331 7.331 7.512 -0.181 25447 6069 1 15 . 1 1 37 37 ASP N N 37 127.306 127.306 127.274 0.032 25447 6070 1 15 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.793 -0.129 25447 6071 1 15 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.785 -1.169 25447 6072 1 15 . 1 1 37 37 ASP CB C 37 41.209 41.209 43.002 -1.793 25447 6073 1 15 . 1 1 37 37 ASP H H 37 7.874 7.874 8.257 -0.383 25447 6074 1 15 . 1 1 38 38 ALA N N 38 120.352 120.352 122.839 -2.487 25447 6075 1 15 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.093 -0.098 25447 6076 1 15 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.511 0.781 25447 6077 1 15 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.654 -0.342 25447 6078 1 15 . 1 1 38 38 ALA H H 38 8.244 8.244 8.424 -0.180 25447 6079 1 15 . 1 1 39 39 LEU N N 39 117.438 117.438 119.340 -1.902 25447 6080 1 15 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.262 -0.012 25447 6081 1 15 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.529 -0.174 25447 6082 1 15 . 1 1 39 39 LEU CB C 39 41.236 41.236 40.984 0.252 25447 6083 1 15 . 1 1 39 39 LEU H H 39 7.688 7.688 8.389 -0.701 25447 6084 1 15 . 1 1 40 40 GLY N N 40 112.015 112.015 107.558 4.457 25447 6085 1 15 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.435 0.664 25447 6086 1 15 . 1 1 40 40 GLY H H 40 8.732 8.732 8.352 0.380 25447 6087 1 15 . 1 1 41 41 LEU N N 41 122.983 122.983 123.096 -0.113 25447 6088 1 15 . 1 1 41 41 LEU HA H 41 3.851 3.851 4.187 -0.336 25447 6089 1 15 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.603 0.729 25447 6090 1 15 . 1 1 41 41 LEU CB C 41 41.639 41.639 42.032 -0.393 25447 6091 1 15 . 1 1 41 41 LEU H H 41 8.548 8.548 8.486 0.062 25447 6092 1 15 . 1 1 42 42 LEU N N 42 116.076 116.076 120.026 -3.950 25447 6093 1 15 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.898 0.130 25447 6094 1 15 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.562 -0.499 25447 6095 1 15 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.812 -0.872 25447 6096 1 15 . 1 1 42 42 LEU H H 42 7.168 7.168 7.671 -0.503 25447 6097 1 15 . 1 1 43 43 LYS N N 43 119.831 119.831 119.033 0.798 25447 6098 1 15 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.031 0.253 25447 6099 1 15 . 1 1 43 43 LYS CA C 43 59.644 59.644 60.016 -0.372 25447 6100 1 15 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.295 0.232 25447 6101 1 15 . 1 1 43 43 LYS H H 43 7.640 7.640 8.330 -0.690 25447 6102 1 15 . 1 1 44 44 VAL N N 44 121.046 121.046 120.564 0.482 25447 6103 1 15 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.073 -0.124 25447 6104 1 15 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.856 -0.213 25447 6105 1 15 . 1 1 44 44 VAL H H 44 8.269 8.269 7.888 0.381 25447 6106 1 15 . 1 1 45 45 ILE N N 45 119.333 119.333 119.448 -0.115 25447 6107 1 15 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.568 -0.164 25447 6108 1 15 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.487 1.661 25447 6109 1 15 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.295 0.982 25447 6110 1 15 . 1 1 45 45 ILE H H 45 8.145 8.145 7.728 0.417 25447 6111 1 15 . 1 1 46 46 ALA N N 46 121.213 121.213 123.527 -2.314 25447 6112 1 15 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.455 -0.198 25447 6113 1 15 . 1 1 46 46 ALA CA C 46 55.164 55.164 54.810 0.354 25447 6114 1 15 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.613 -0.245 25447 6115 1 15 . 1 1 46 46 ALA H H 46 7.792 7.792 8.215 -0.423 25447 6116 1 15 . 1 1 47 47 TRP N N 47 121.416 121.416 120.100 1.316 25447 6117 1 15 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.483 -0.249 25447 6118 1 15 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.625 2.045 25447 6119 1 15 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.443 -1.204 25447 6120 1 15 . 1 1 47 47 TRP H H 47 8.093 8.093 8.102 -0.009 25447 6121 1 15 . 1 1 48 48 LEU N N 48 118.963 118.963 121.234 -2.271 25447 6122 1 15 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.827 0.759 25447 6123 1 15 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.722 0.473 25447 6124 1 15 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.227 1.024 25447 6125 1 15 . 1 1 48 48 LEU H H 48 8.693 8.693 7.310 1.383 25447 6126 1 15 . 1 1 49 49 GLU N N 49 119.131 119.131 117.013 2.118 25447 6127 1 15 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.970 0.080 25447 6128 1 15 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.058 0.804 25447 6129 1 15 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.930 0.656 25447 6130 1 15 . 1 1 49 49 GLU H H 49 7.771 7.771 7.727 0.044 25447 6131 1 15 . 1 1 50 50 ASP N N 50 119.941 119.941 120.944 -1.003 25447 6132 1 15 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.428 -0.191 25447 6133 1 15 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.550 0.805 25447 6134 1 15 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.745 1.638 25447 6135 1 15 . 1 1 50 50 ASP H H 50 7.697 7.697 7.637 0.060 25447 6136 1 15 . 1 1 51 51 ARG N N 51 116.911 116.911 117.976 -1.065 25447 6137 1 15 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.043 -0.307 25447 6138 1 15 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.362 -1.998 25447 6139 1 15 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.252 -0.937 25447 6140 1 15 . 1 1 51 51 ARG H H 51 8.881 8.881 7.772 1.109 25447 6141 1 15 . 1 1 52 52 PHE N N 52 112.328 112.328 116.702 -4.374 25447 6142 1 15 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.623 0.052 25447 6143 1 15 . 1 1 52 52 PHE CA C 52 57.413 57.413 58.084 -0.671 25447 6144 1 15 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.387 1.505 25447 6145 1 15 . 1 1 52 52 PHE H H 52 7.284 7.284 7.581 -0.297 25447 6146 1 15 . 1 1 53 53 GLY N N 53 109.826 109.826 108.707 1.119 25447 6147 1 15 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.567 1.234 25447 6148 1 15 . 1 1 53 53 GLY H H 53 7.427 7.427 7.883 -0.456 25447 6149 1 15 . 1 1 54 54 ILE N N 54 119.127 119.127 115.305 3.822 25447 6150 1 15 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.527 -0.576 25447 6151 1 15 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.534 1.151 25447 6152 1 15 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.815 -0.325 25447 6153 1 15 . 1 1 54 54 ILE H H 54 6.876 6.876 7.655 -0.779 25447 6154 1 15 . 1 1 55 55 ALA N N 55 129.823 129.823 123.966 5.857 25447 6155 1 15 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.543 -0.129 25447 6156 1 15 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.639 0.971 25447 6157 1 15 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.334 -1.072 25447 6158 1 15 . 1 1 55 55 ALA H H 55 8.499 8.499 8.113 0.386 25447 6159 1 15 . 1 1 56 56 ALA N N 56 126.300 126.300 125.380 0.920 25447 6160 1 15 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.078 0.191 25447 6161 1 15 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.569 -1.095 25447 6162 1 15 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.922 0.322 25447 6163 1 15 . 1 1 56 56 ALA H H 56 8.641 8.641 8.332 0.309 25447 6164 1 15 . 1 1 57 57 ASP N N 57 116.395 116.395 118.096 -1.701 25447 6165 1 15 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.311 0.168 25447 6166 1 15 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.563 -1.337 25447 6167 1 15 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.321 0.601 25447 6168 1 15 . 1 1 57 57 ASP H H 57 8.337 8.337 8.358 -0.021 25447 6169 1 15 . 1 1 58 58 ASP N N 58 118.557 118.557 118.245 0.312 25447 6170 1 15 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.447 0.189 25447 6171 1 15 . 1 1 58 58 ASP CA C 58 55.144 55.144 56.088 -0.944 25447 6172 1 15 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.518 -0.014 25447 6173 1 15 . 1 1 58 58 ASP H H 58 8.027 8.027 7.883 0.144 25447 6174 1 15 . 1 1 59 59 VAL N N 59 118.898 118.898 118.601 0.297 25447 6175 1 15 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.244 -0.068 25447 6176 1 15 . 1 1 59 59 VAL CA C 59 62.300 62.300 60.539 1.761 25447 6177 1 15 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.333 -1.255 25447 6178 1 15 . 1 1 59 59 VAL H H 59 7.716 7.716 7.431 0.285 25447 6179 1 15 . 1 1 60 60 GLU N N 60 122.888 122.888 126.047 -3.159 25447 6180 1 15 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.394 -0.110 25447 6181 1 15 . 1 1 60 60 GLU CA C 60 56.546 56.546 56.066 0.480 25447 6182 1 15 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.590 -0.808 25447 6183 1 15 . 1 1 60 60 GLU H H 60 8.367 8.367 8.382 -0.015 25447 6184 1 15 . 1 1 61 61 LEU N N 61 124.827 124.827 124.833 -0.006 25447 6185 1 15 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.481 -0.123 25447 6186 1 15 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.207 0.609 25447 6187 1 15 . 1 1 61 61 LEU CB C 61 41.937 41.937 42.655 -0.718 25447 6188 1 15 . 1 1 61 61 LEU H H 61 8.198 8.198 8.433 -0.235 25447 6189 1 15 . 1 1 62 62 SER N N 62 118.715 118.715 118.748 -0.033 25447 6190 1 15 . 1 1 62 62 SER HA H 62 4.809 4.809 4.962 -0.153 25447 6191 1 15 . 1 1 62 62 SER CA C 62 55.732 55.732 55.182 0.550 25447 6192 1 15 . 1 1 62 62 SER CB C 62 64.017 64.017 64.669 -0.652 25447 6193 1 15 . 1 1 62 62 SER H H 62 8.137 8.137 8.218 -0.081 25447 6194 1 15 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.295 -0.042 25447 6195 1 15 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.317 -0.420 25447 6196 1 15 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.785 0.267 25447 6197 1 15 . 1 1 64 64 GLU N N 64 116.554 116.554 119.083 -2.529 25447 6198 1 15 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.144 -0.271 25447 6199 1 15 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.862 -0.143 25447 6200 1 15 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.248 -0.568 25447 6201 1 15 . 1 1 64 64 GLU H H 64 8.316 8.316 8.450 -0.134 25447 6202 1 15 . 1 1 65 65 HIS N N 65 115.487 115.487 119.810 -4.323 25447 6203 1 15 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.211 0.069 25447 6204 1 15 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.001 -0.349 25447 6205 1 15 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.526 0.356 25447 6206 1 15 . 1 1 65 65 HIS H H 65 7.274 7.274 8.341 -1.067 25447 6207 1 15 . 1 1 66 66 PHE N N 66 116.127 116.127 116.371 -0.244 25447 6208 1 15 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.700 0.066 25447 6209 1 15 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.270 -1.488 25447 6210 1 15 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.968 0.940 25447 6211 1 15 . 1 1 66 66 PHE H H 66 7.239 7.239 7.763 -0.524 25447 6212 1 15 . 1 1 67 67 ARG N N 67 112.468 112.468 119.983 -7.515 25447 6213 1 15 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.016 0.069 25447 6214 1 15 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.247 -0.960 25447 6215 1 15 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.502 1.258 25447 6216 1 15 . 1 1 67 67 ARG H H 67 6.628 6.628 7.888 -1.260 25447 6217 1 15 . 1 1 68 68 SER N N 68 109.305 109.305 110.238 -0.933 25447 6218 1 15 . 1 1 68 68 SER HA H 68 4.980 4.980 4.722 0.258 25447 6219 1 15 . 1 1 68 68 SER CA C 68 55.785 55.785 56.805 -1.020 25447 6220 1 15 . 1 1 68 68 SER CB C 68 67.691 67.691 66.113 1.578 25447 6221 1 15 . 1 1 68 68 SER H H 68 8.145 8.145 7.390 0.755 25447 6222 1 15 . 1 1 69 69 ILE N N 69 122.602 122.602 122.692 -0.090 25447 6223 1 15 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.779 -0.103 25447 6224 1 15 . 1 1 69 69 ILE CA C 69 66.754 66.754 63.419 3.336 25447 6225 1 15 . 1 1 69 69 ILE CB C 69 37.296 37.296 36.800 0.496 25447 6226 1 15 . 1 1 69 69 ILE H H 69 9.775 9.775 9.056 0.719 25447 6227 1 15 . 1 1 70 70 ARG N N 70 118.764 118.764 119.518 -0.754 25447 6228 1 15 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.962 -0.007 25447 6229 1 15 . 1 1 70 70 ARG CA C 70 60.533 60.533 60.020 0.513 25447 6230 1 15 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.601 0.817 25447 6231 1 15 . 1 1 70 70 ARG H H 70 8.910 8.910 7.861 1.049 25447 6232 1 15 . 1 1 71 71 SER N N 71 117.670 117.670 114.457 3.213 25447 6233 1 15 . 1 1 71 71 SER HA H 71 4.330 4.330 4.189 0.141 25447 6234 1 15 . 1 1 71 71 SER CA C 71 62.287 62.287 60.818 1.469 25447 6235 1 15 . 1 1 71 71 SER CB C 71 63.278 63.278 62.530 0.748 25447 6236 1 15 . 1 1 71 71 SER H H 71 8.518 8.518 7.400 1.118 25447 6237 1 15 . 1 1 72 72 ILE N N 72 127.447 127.447 122.993 4.454 25447 6238 1 15 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.311 0.599 25447 6239 1 15 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.955 0.856 25447 6240 1 15 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.561 0.837 25447 6241 1 15 . 1 1 72 72 ILE H H 72 8.762 8.762 7.606 1.156 25447 6242 1 15 . 1 1 73 73 ASP N N 73 121.636 121.636 120.143 1.493 25447 6243 1 15 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.299 -0.286 25447 6244 1 15 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.329 1.819 25447 6245 1 15 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.593 2.947 25447 6246 1 15 . 1 1 73 73 ASP H H 73 8.677 8.677 8.103 0.574 25447 6247 1 15 . 1 1 74 74 ALA N N 74 118.793 118.793 122.010 -3.217 25447 6248 1 15 . 1 1 74 74 ALA HA H 74 4.044 4.044 3.957 0.087 25447 6249 1 15 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.209 0.112 25447 6250 1 15 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.495 -0.550 25447 6251 1 15 . 1 1 74 74 ALA H H 74 8.005 8.005 7.670 0.335 25447 6252 1 15 . 1 1 75 75 PHE N N 75 121.235 121.235 120.058 1.177 25447 6253 1 15 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.076 -0.038 25447 6254 1 15 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.883 -0.868 25447 6255 1 15 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.500 -0.663 25447 6256 1 15 . 1 1 75 75 PHE H H 75 8.353 8.353 8.556 -0.203 25447 6257 1 15 . 1 1 76 76 VAL N N 76 120.866 120.866 118.968 1.898 25447 6258 1 15 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.351 -0.408 25447 6259 1 15 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.900 0.001 25447 6260 1 15 . 1 1 76 76 VAL CB C 76 31.247 31.247 30.973 0.274 25447 6261 1 15 . 1 1 76 76 VAL H H 76 8.544 8.544 8.590 -0.046 25447 6262 1 15 . 1 1 77 77 VAL N N 77 121.408 121.408 119.282 2.126 25447 6263 1 15 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.883 -0.388 25447 6264 1 15 . 1 1 77 77 VAL CA C 77 66.833 66.833 65.703 1.130 25447 6265 1 15 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.253 0.677 25447 6266 1 15 . 1 1 77 77 VAL H H 77 8.708 8.708 8.153 0.555 25447 6267 1 15 . 1 1 78 78 GLY N N 78 106.402 106.402 106.620 -0.218 25447 6268 1 15 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.847 -0.007 25447 6269 1 15 . 1 1 78 78 GLY H H 78 7.945 7.945 8.535 -0.590 25447 6270 1 15 . 1 1 79 79 ALA N N 79 121.146 121.146 122.817 -1.671 25447 6271 1 15 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.864 0.343 25447 6272 1 15 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.361 -1.432 25447 6273 1 15 . 1 1 79 79 ALA CB C 79 19.261 19.261 17.991 1.270 25447 6274 1 15 . 1 1 79 79 ALA H H 79 7.639 7.639 7.747 -0.108 25447 6275 1 15 . 1 1 80 80 THR N N 80 107.668 107.668 108.714 -1.046 25447 6276 1 15 . 1 1 80 80 THR HA H 80 4.443 4.443 4.204 0.239 25447 6277 1 15 . 1 1 80 80 THR CA C 80 61.406 61.406 63.078 -1.672 25447 6278 1 15 . 1 1 80 80 THR CB C 80 70.767 70.767 69.503 1.264 25447 6279 1 15 . 1 1 80 80 THR H H 80 7.449 7.449 7.709 -0.260 25447 6280 1 15 . 1 1 81 81 THR N N 81 119.953 119.953 116.507 3.446 25447 6281 1 15 . 1 1 81 81 THR HA H 81 4.665 4.665 4.816 -0.151 25447 6282 1 15 . 1 1 81 81 THR CA C 81 60.412 60.412 59.027 1.385 25447 6283 1 15 . 1 1 81 81 THR CB C 81 70.113 70.113 69.755 0.358 25447 6284 1 15 . 1 1 81 81 THR H H 81 7.685 7.685 7.749 -0.064 25447 6285 1 15 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.688 0.001 25447 6286 1 15 . 1 1 82 82 PRO CA C 82 61.688 61.688 61.485 0.203 25447 6287 1 15 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.997 -0.028 25447 6288 1 15 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.461 0.020 25447 6289 1 15 . 1 1 83 83 PRO CA C 83 62.931 62.931 61.976 0.955 25447 6290 1 15 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.815 -0.622 25447 6291 1 15 . 1 1 84 84 VAL N N 84 120.691 120.691 122.566 -1.875 25447 6292 1 15 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.185 -0.092 25447 6293 1 15 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.867 0.472 25447 6294 1 15 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.596 0.255 25447 6295 1 15 . 1 1 84 84 VAL H H 84 8.257 8.257 8.098 0.159 25447 6296 1 15 . 1 1 85 85 GLU N N 85 127.655 127.655 121.362 6.293 25447 6297 1 15 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.947 0.337 25447 6298 1 15 . 1 1 85 85 GLU CA C 85 56.754 56.754 57.125 -0.371 25447 6299 1 15 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.526 2.033 25447 6300 1 15 . 1 1 85 85 GLU H H 85 8.202 8.202 8.745 -0.543 25447 6301 1 15 . 1 1 86 86 ALA N N 86 126.437 126.437 120.866 5.571 25447 6302 1 15 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.211 -0.160 25447 6303 1 15 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.289 -0.141 25447 6304 1 15 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.462 -0.002 25447 6305 1 15 . 1 1 86 86 ALA H H 86 8.323 8.323 7.821 0.502 25447 6306 1 15 . 1 1 87 87 LYS N N 87 121.796 121.796 122.626 -0.830 25447 6307 1 15 . 1 1 87 87 LYS HA H 87 4.347 4.347 3.968 0.379 25447 6308 1 15 . 1 1 87 87 LYS CA C 87 56.297 56.297 56.718 -0.421 25447 6309 1 15 . 1 1 87 87 LYS CB C 87 33.276 33.276 31.652 1.624 25447 6310 1 15 . 1 1 87 87 LYS H H 87 8.333 8.333 8.559 -0.226 25447 6311 1 15 . 1 1 88 88 LEU N N 88 125.576 125.576 116.576 9.000 25447 6312 1 15 . 1 1 88 88 LEU HA H 88 3.907 3.907 3.904 0.003 25447 6313 1 15 . 1 1 88 88 LEU CA C 88 55.772 55.772 55.856 -0.084 25447 6314 1 15 . 1 1 88 88 LEU CB C 88 42.472 42.472 40.983 1.489 25447 6315 1 15 . 1 1 88 88 LEU H H 88 8.444 8.444 8.456 -0.012 25447 6316 1 16 . 1 1 1 1 MET N N 1 120.668 120.668 121.209 -0.541 25447 6317 1 16 . 1 1 1 1 MET HA H 1 4.484 4.484 4.601 -0.117 25447 6318 1 16 . 1 1 1 1 MET CA C 1 55.257 55.257 55.195 0.062 25447 6319 1 16 . 1 1 1 1 MET CB C 1 34.517 34.517 34.012 0.505 25447 6320 1 16 . 1 1 1 1 MET H H 1 8.313 8.313 8.091 0.222 25447 6321 1 16 . 1 1 2 2 GLN N N 2 123.739 123.739 118.497 5.242 25447 6322 1 16 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.545 -0.515 25447 6323 1 16 . 1 1 2 2 GLN CA C 2 57.874 57.874 54.884 2.990 25447 6324 1 16 . 1 1 2 2 GLN CB C 2 29.938 29.938 29.367 0.571 25447 6325 1 16 . 1 1 2 2 GLN H H 2 9.455 9.455 8.505 0.951 25447 6326 1 16 . 1 1 3 3 HIS N N 3 119.115 119.115 118.146 0.969 25447 6327 1 16 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.070 1.046 25447 6328 1 16 . 1 1 3 3 HIS CA C 3 55.494 55.494 57.152 -1.658 25447 6329 1 16 . 1 1 3 3 HIS CB C 3 31.015 31.015 28.173 2.842 25447 6330 1 16 . 1 1 3 3 HIS H H 3 9.783 9.783 8.692 1.091 25447 6331 1 16 . 1 1 4 4 ALA N N 4 122.648 122.648 121.562 1.086 25447 6332 1 16 . 1 1 4 4 ALA HA H 4 3.903 3.903 3.984 -0.081 25447 6333 1 16 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.052 1.427 25447 6334 1 16 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.637 0.557 25447 6335 1 16 . 1 1 4 4 ALA H H 4 7.551 7.551 8.590 -1.039 25447 6336 1 16 . 1 1 5 5 SER N N 5 112.599 112.599 113.174 -0.575 25447 6337 1 16 . 1 1 5 5 SER HA H 5 4.298 4.298 4.268 0.030 25447 6338 1 16 . 1 1 5 5 SER CA C 5 62.117 62.117 61.309 0.808 25447 6339 1 16 . 1 1 5 5 SER CB C 5 62.334 62.334 62.277 0.057 25447 6340 1 16 . 1 1 5 5 SER H H 5 8.736 8.736 8.504 0.232 25447 6341 1 16 . 1 1 6 6 VAL N N 6 122.866 122.866 122.977 -0.111 25447 6342 1 16 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.803 0.302 25447 6343 1 16 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.062 -0.330 25447 6344 1 16 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.634 1.103 25447 6345 1 16 . 1 1 6 6 VAL H H 6 7.660 7.660 7.408 0.252 25447 6346 1 16 . 1 1 7 7 ILE N N 7 121.715 121.715 120.393 1.322 25447 6347 1 16 . 1 1 7 7 ILE HA H 7 4.224 4.224 3.799 0.425 25447 6348 1 16 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.919 -0.590 25447 6349 1 16 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.394 1.299 25447 6350 1 16 . 1 1 7 7 ILE H H 7 8.519 8.519 7.757 0.762 25447 6351 1 16 . 1 1 8 8 ALA N N 8 121.373 121.373 121.573 -0.200 25447 6352 1 16 . 1 1 8 8 ALA HA H 8 3.895 3.895 3.904 -0.009 25447 6353 1 16 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.322 0.935 25447 6354 1 16 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.084 0.556 25447 6355 1 16 . 1 1 8 8 ALA H H 8 8.940 8.940 7.860 1.080 25447 6356 1 16 . 1 1 9 9 GLN N N 9 115.076 115.076 118.479 -3.403 25447 6357 1 16 . 1 1 9 9 GLN HA H 9 3.870 3.870 4.011 -0.141 25447 6358 1 16 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.904 0.288 25447 6359 1 16 . 1 1 9 9 GLN CB C 9 28.138 28.138 29.047 -0.909 25447 6360 1 16 . 1 1 9 9 GLN H H 9 7.729 7.729 8.052 -0.323 25447 6361 1 16 . 1 1 10 10 PHE N N 10 120.207 120.207 121.134 -0.927 25447 6362 1 16 . 1 1 10 10 PHE HA H 10 4.085 4.085 4.308 -0.223 25447 6363 1 16 . 1 1 10 10 PHE CA C 10 60.893 60.893 59.816 1.077 25447 6364 1 16 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.943 -0.011 25447 6365 1 16 . 1 1 10 10 PHE H H 10 7.301 7.301 8.712 -1.411 25447 6366 1 16 . 1 1 11 11 VAL N N 11 117.569 117.569 120.296 -2.727 25447 6367 1 16 . 1 1 11 11 VAL HA H 11 3.307 3.307 2.538 0.769 25447 6368 1 16 . 1 1 11 11 VAL CA C 11 66.508 66.508 64.743 1.764 25447 6369 1 16 . 1 1 11 11 VAL CB C 11 31.487 31.487 30.777 0.710 25447 6370 1 16 . 1 1 11 11 VAL H H 11 8.370 8.370 7.700 0.670 25447 6371 1 16 . 1 1 12 12 VAL N N 12 117.909 117.909 119.465 -1.556 25447 6372 1 16 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.466 0.275 25447 6373 1 16 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.667 -0.791 25447 6374 1 16 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.707 -0.395 25447 6375 1 16 . 1 1 12 12 VAL H H 12 8.294 8.294 7.588 0.706 25447 6376 1 16 . 1 1 13 13 GLU N N 13 117.918 117.918 118.966 -1.048 25447 6377 1 16 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.986 -0.244 25447 6378 1 16 . 1 1 13 13 GLU CA C 13 59.307 59.307 59.167 0.140 25447 6379 1 16 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.431 0.058 25447 6380 1 16 . 1 1 13 13 GLU H H 13 7.750 7.750 7.694 0.056 25447 6381 1 16 . 1 1 14 14 GLU N N 14 113.478 113.478 117.702 -4.224 25447 6382 1 16 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.116 -0.338 25447 6383 1 16 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.740 -1.940 25447 6384 1 16 . 1 1 14 14 GLU CB C 14 29.643 29.643 29.878 -0.235 25447 6385 1 16 . 1 1 14 14 GLU H H 14 7.603 7.603 7.722 -0.119 25447 6386 1 16 . 1 1 15 15 PHE N N 15 114.193 114.193 116.319 -2.126 25447 6387 1 16 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.629 0.310 25447 6388 1 16 . 1 1 15 15 PHE CA C 15 58.095 58.095 59.086 -0.991 25447 6389 1 16 . 1 1 15 15 PHE CB C 15 42.095 42.095 41.742 0.353 25447 6390 1 16 . 1 1 15 15 PHE H H 15 7.908 7.908 7.312 0.596 25447 6391 1 16 . 1 1 16 16 LEU N N 16 121.492 121.492 121.002 0.490 25447 6392 1 16 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.762 0.205 25447 6393 1 16 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.019 0.358 25447 6394 1 16 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.106 1.627 25447 6395 1 16 . 1 1 16 16 LEU H H 16 8.015 8.015 8.124 -0.109 25447 6396 1 16 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.445 -0.062 25447 6397 1 16 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.934 0.924 25447 6398 1 16 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.811 0.018 25447 6399 1 16 . 1 1 18 18 ASP N N 18 116.508 116.508 118.184 -1.676 25447 6400 1 16 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.669 -0.101 25447 6401 1 16 . 1 1 18 18 ASP CA C 18 54.688 54.688 54.502 0.186 25447 6402 1 16 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.603 0.023 25447 6403 1 16 . 1 1 18 18 ASP H H 18 8.399 8.399 8.629 -0.230 25447 6404 1 16 . 1 1 19 19 VAL N N 19 122.135 122.135 120.328 1.807 25447 6405 1 16 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.161 -0.043 25447 6406 1 16 . 1 1 19 19 VAL CA C 19 61.293 61.293 61.073 0.220 25447 6407 1 16 . 1 1 19 19 VAL CB C 19 33.582 33.582 34.146 -0.564 25447 6408 1 16 . 1 1 19 19 VAL H H 19 7.760 7.760 7.265 0.495 25447 6409 1 16 . 1 1 20 20 ALA N N 20 129.301 129.301 130.157 -0.856 25447 6410 1 16 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.532 0.067 25447 6411 1 16 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.214 0.056 25447 6412 1 16 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.187 -0.759 25447 6413 1 16 . 1 1 20 20 ALA H H 20 8.761 8.761 8.468 0.293 25447 6414 1 16 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.107 -0.030 25447 6415 1 16 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.564 0.639 25447 6416 1 16 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.754 -0.346 25447 6417 1 16 . 1 1 22 22 ALA N N 22 116.106 116.106 118.190 -2.084 25447 6418 1 16 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.068 0.049 25447 6419 1 16 . 1 1 22 22 ALA CA C 22 53.996 53.996 53.820 0.176 25447 6420 1 16 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.287 0.557 25447 6421 1 16 . 1 1 22 22 ALA H H 22 8.064 8.064 8.120 -0.056 25447 6422 1 16 . 1 1 23 23 ASP N N 23 115.541 115.541 117.034 -1.493 25447 6423 1 16 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.625 0.052 25447 6424 1 16 . 1 1 23 23 ASP CA C 23 54.336 54.336 54.358 -0.022 25447 6425 1 16 . 1 1 23 23 ASP CB C 23 41.353 41.353 41.333 0.020 25447 6426 1 16 . 1 1 23 23 ASP H H 23 8.003 8.003 8.089 -0.086 25447 6427 1 16 . 1 1 24 24 VAL N N 24 121.517 121.517 120.793 0.724 25447 6428 1 16 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.189 -0.368 25447 6429 1 16 . 1 1 24 24 VAL CA C 24 62.345 62.345 60.666 1.679 25447 6430 1 16 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.639 -0.906 25447 6431 1 16 . 1 1 24 24 VAL H H 24 7.069 7.069 7.487 -0.418 25447 6432 1 16 . 1 1 25 25 ASP N N 25 129.329 129.329 127.701 1.628 25447 6433 1 16 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.806 -0.232 25447 6434 1 16 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.097 1.469 25447 6435 1 16 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.927 0.406 25447 6436 1 16 . 1 1 25 25 ASP H H 25 8.474 8.474 8.708 -0.234 25447 6437 1 16 . 1 1 26 26 VAL N N 26 121.920 121.920 121.282 0.638 25447 6438 1 16 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.955 0.153 25447 6439 1 16 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.500 1.018 25447 6440 1 16 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.565 -0.367 25447 6441 1 16 . 1 1 26 26 VAL H H 26 8.591 8.591 8.699 -0.108 25447 6442 1 16 . 1 1 27 27 ASP N N 27 116.286 116.286 118.619 -2.333 25447 6443 1 16 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.677 0.468 25447 6444 1 16 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.661 -0.480 25447 6445 1 16 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.834 1.741 25447 6446 1 16 . 1 1 27 27 ASP H H 27 8.609 8.609 8.114 0.495 25447 6447 1 16 . 1 1 28 28 LEU N N 28 125.116 125.116 122.350 2.766 25447 6448 1 16 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.460 -0.449 25447 6449 1 16 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.277 1.810 25447 6450 1 16 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.854 -0.533 25447 6451 1 16 . 1 1 28 28 LEU H H 28 7.374 7.374 7.417 -0.043 25447 6452 1 16 . 1 1 29 29 ASP N N 29 125.924 125.924 124.345 1.579 25447 6453 1 16 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.589 0.245 25447 6454 1 16 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.081 -1.161 25447 6455 1 16 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.280 0.099 25447 6456 1 16 . 1 1 29 29 ASP H H 29 8.699 8.699 8.680 0.019 25447 6457 1 16 . 1 1 30 30 LEU N N 30 129.975 129.975 125.938 4.037 25447 6458 1 16 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.141 -0.224 25447 6459 1 16 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.339 -0.951 25447 6460 1 16 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.441 -0.202 25447 6461 1 16 . 1 1 30 30 LEU H H 30 9.718 9.718 8.084 1.634 25447 6462 1 16 . 1 1 31 31 VAL N N 31 121.212 121.212 117.599 3.613 25447 6463 1 16 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.610 0.583 25447 6464 1 16 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.487 -2.054 25447 6465 1 16 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.222 0.953 25447 6466 1 16 . 1 1 31 31 VAL H H 31 8.163 8.163 7.680 0.483 25447 6467 1 16 . 1 1 32 32 ASP N N 32 124.893 124.893 118.638 6.255 25447 6468 1 16 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.331 0.027 25447 6469 1 16 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.744 0.481 25447 6470 1 16 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.077 0.658 25447 6471 1 16 . 1 1 32 32 ASP H H 32 9.385 9.385 8.707 0.678 25447 6472 1 16 . 1 1 33 33 ASN N N 33 111.484 111.484 116.295 -4.811 25447 6473 1 16 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.587 0.133 25447 6474 1 16 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.649 0.237 25447 6475 1 16 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.004 0.002 25447 6476 1 16 . 1 1 33 33 ASN H H 33 7.396 7.396 7.572 -0.175 25447 6477 1 16 . 1 1 34 34 GLY N N 34 106.957 106.957 105.788 1.169 25447 6478 1 16 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.801 0.806 25447 6479 1 16 . 1 1 34 34 GLY H H 34 7.618 7.618 7.933 -0.315 25447 6480 1 16 . 1 1 35 35 VAL N N 35 120.424 120.424 118.424 2.000 25447 6481 1 16 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.033 0.733 25447 6482 1 16 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.313 0.812 25447 6483 1 16 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.652 0.227 25447 6484 1 16 . 1 1 35 35 VAL H H 35 7.792 7.792 7.744 0.048 25447 6485 1 16 . 1 1 36 36 ILE N N 36 116.364 116.364 120.548 -4.184 25447 6486 1 16 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.815 -0.078 25447 6487 1 16 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.467 -0.782 25447 6488 1 16 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.450 1.357 25447 6489 1 16 . 1 1 36 36 ILE H H 36 7.331 7.331 7.706 -0.375 25447 6490 1 16 . 1 1 37 37 ASP N N 37 127.306 127.306 127.847 -0.541 25447 6491 1 16 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.769 -0.105 25447 6492 1 16 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.753 -1.137 25447 6493 1 16 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.952 -1.743 25447 6494 1 16 . 1 1 37 37 ASP H H 37 7.874 7.874 7.899 -0.025 25447 6495 1 16 . 1 1 38 38 ALA N N 38 120.352 120.352 123.133 -2.781 25447 6496 1 16 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.080 -0.085 25447 6497 1 16 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.417 0.875 25447 6498 1 16 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.603 -0.291 25447 6499 1 16 . 1 1 38 38 ALA H H 38 8.244 8.244 8.385 -0.141 25447 6500 1 16 . 1 1 39 39 LEU N N 39 117.438 117.438 118.246 -0.808 25447 6501 1 16 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.171 0.079 25447 6502 1 16 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.034 0.321 25447 6503 1 16 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.126 0.110 25447 6504 1 16 . 1 1 39 39 LEU H H 39 7.688 7.688 8.431 -0.743 25447 6505 1 16 . 1 1 40 40 GLY N N 40 112.015 112.015 108.136 3.879 25447 6506 1 16 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.181 0.918 25447 6507 1 16 . 1 1 40 40 GLY H H 40 8.732 8.732 8.240 0.492 25447 6508 1 16 . 1 1 41 41 LEU N N 41 122.983 122.983 123.422 -0.439 25447 6509 1 16 . 1 1 41 41 LEU HA H 41 3.851 3.851 4.043 -0.192 25447 6510 1 16 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.738 0.594 25447 6511 1 16 . 1 1 41 41 LEU CB C 41 41.639 41.639 42.045 -0.407 25447 6512 1 16 . 1 1 41 41 LEU H H 41 8.548 8.548 8.434 0.114 25447 6513 1 16 . 1 1 42 42 LEU N N 42 116.076 116.076 120.035 -3.959 25447 6514 1 16 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.891 0.137 25447 6515 1 16 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.511 -0.447 25447 6516 1 16 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.811 -0.871 25447 6517 1 16 . 1 1 42 42 LEU H H 42 7.168 7.168 7.625 -0.457 25447 6518 1 16 . 1 1 43 43 LYS N N 43 119.831 119.831 119.086 0.745 25447 6519 1 16 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.045 0.239 25447 6520 1 16 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.993 -0.349 25447 6521 1 16 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.319 0.208 25447 6522 1 16 . 1 1 43 43 LYS H H 43 7.640 7.640 8.372 -0.732 25447 6523 1 16 . 1 1 44 44 VAL N N 44 121.046 121.046 120.497 0.549 25447 6524 1 16 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.136 -0.187 25447 6525 1 16 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.729 -0.086 25447 6526 1 16 . 1 1 44 44 VAL H H 44 8.269 8.269 7.941 0.328 25447 6527 1 16 . 1 1 45 45 ILE N N 45 119.333 119.333 119.579 -0.246 25447 6528 1 16 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.577 -0.173 25447 6529 1 16 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.685 1.463 25447 6530 1 16 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.210 1.067 25447 6531 1 16 . 1 1 45 45 ILE H H 45 8.145 8.145 7.715 0.430 25447 6532 1 16 . 1 1 46 46 ALA N N 46 121.213 121.213 123.367 -2.154 25447 6533 1 16 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.141 0.116 25447 6534 1 16 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.240 -0.076 25447 6535 1 16 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.242 0.126 25447 6536 1 16 . 1 1 46 46 ALA H H 46 7.792 7.792 8.158 -0.366 25447 6537 1 16 . 1 1 47 47 TRP N N 47 121.416 121.416 119.816 1.600 25447 6538 1 16 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.516 -0.282 25447 6539 1 16 . 1 1 47 47 TRP CA C 47 61.670 61.670 60.020 1.651 25447 6540 1 16 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.752 -1.513 25447 6541 1 16 . 1 1 47 47 TRP H H 47 8.093 8.093 8.098 -0.005 25447 6542 1 16 . 1 1 48 48 LEU N N 48 118.963 118.963 121.039 -2.076 25447 6543 1 16 . 1 1 48 48 LEU HA H 48 3.586 3.586 3.117 0.469 25447 6544 1 16 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.392 0.803 25447 6545 1 16 . 1 1 48 48 LEU CB C 48 42.251 42.251 40.747 1.504 25447 6546 1 16 . 1 1 48 48 LEU H H 48 8.693 8.693 7.596 1.097 25447 6547 1 16 . 1 1 49 49 GLU N N 49 119.131 119.131 118.059 1.072 25447 6548 1 16 . 1 1 49 49 GLU HA H 49 4.050 4.050 4.047 0.003 25447 6549 1 16 . 1 1 49 49 GLU CA C 49 59.862 59.862 58.980 0.882 25447 6550 1 16 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.837 0.749 25447 6551 1 16 . 1 1 49 49 GLU H H 49 7.771 7.771 7.941 -0.170 25447 6552 1 16 . 1 1 50 50 ASP N N 50 119.941 119.941 120.531 -0.590 25447 6553 1 16 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.426 -0.189 25447 6554 1 16 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.228 1.127 25447 6555 1 16 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.794 1.589 25447 6556 1 16 . 1 1 50 50 ASP H H 50 7.697 7.697 7.755 -0.058 25447 6557 1 16 . 1 1 51 51 ARG N N 51 116.911 116.911 117.787 -0.876 25447 6558 1 16 . 1 1 51 51 ARG HA H 51 3.736 3.736 3.995 -0.259 25447 6559 1 16 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.369 -2.005 25447 6560 1 16 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.467 -1.152 25447 6561 1 16 . 1 1 51 51 ARG H H 51 8.881 8.881 7.932 0.949 25447 6562 1 16 . 1 1 52 52 PHE N N 52 112.328 112.328 115.224 -2.896 25447 6563 1 16 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.659 0.016 25447 6564 1 16 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.962 -0.549 25447 6565 1 16 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.640 1.252 25447 6566 1 16 . 1 1 52 52 PHE H H 52 7.284 7.284 7.574 -0.290 25447 6567 1 16 . 1 1 53 53 GLY N N 53 109.826 109.826 109.664 0.162 25447 6568 1 16 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.621 1.179 25447 6569 1 16 . 1 1 53 53 GLY H H 53 7.427 7.427 8.439 -1.012 25447 6570 1 16 . 1 1 54 54 ILE N N 54 119.127 119.127 117.029 2.098 25447 6571 1 16 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.309 -0.358 25447 6572 1 16 . 1 1 54 54 ILE CA C 54 60.685 60.685 60.085 0.600 25447 6573 1 16 . 1 1 54 54 ILE CB C 54 39.490 39.490 38.024 1.466 25447 6574 1 16 . 1 1 54 54 ILE H H 54 6.876 6.876 7.413 -0.537 25447 6575 1 16 . 1 1 55 55 ALA N N 55 129.823 129.823 129.173 0.650 25447 6576 1 16 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.265 0.149 25447 6577 1 16 . 1 1 55 55 ALA CA C 55 51.610 51.610 51.892 -0.282 25447 6578 1 16 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.167 -0.905 25447 6579 1 16 . 1 1 55 55 ALA H H 55 8.499 8.499 8.521 -0.022 25447 6580 1 16 . 1 1 56 56 ALA N N 56 126.300 126.300 125.364 0.936 25447 6581 1 16 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.098 0.171 25447 6582 1 16 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.489 -1.015 25447 6583 1 16 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.621 0.623 25447 6584 1 16 . 1 1 56 56 ALA H H 56 8.641 8.641 8.749 -0.108 25447 6585 1 16 . 1 1 57 57 ASP N N 57 116.395 116.395 117.417 -1.022 25447 6586 1 16 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.400 0.079 25447 6587 1 16 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.339 -1.113 25447 6588 1 16 . 1 1 57 57 ASP CB C 57 40.922 40.922 39.989 0.933 25447 6589 1 16 . 1 1 57 57 ASP H H 57 8.337 8.337 8.628 -0.291 25447 6590 1 16 . 1 1 58 58 ASP N N 58 118.557 118.557 118.341 0.216 25447 6591 1 16 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.476 0.160 25447 6592 1 16 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.770 -0.625 25447 6593 1 16 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.337 0.167 25447 6594 1 16 . 1 1 58 58 ASP H H 58 8.027 8.027 7.880 0.147 25447 6595 1 16 . 1 1 59 59 VAL N N 59 118.898 118.898 118.625 0.273 25447 6596 1 16 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.223 -0.047 25447 6597 1 16 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.248 1.052 25447 6598 1 16 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.284 -1.206 25447 6599 1 16 . 1 1 59 59 VAL H H 59 7.716 7.716 7.368 0.348 25447 6600 1 16 . 1 1 60 60 GLU N N 60 122.888 122.888 126.187 -3.299 25447 6601 1 16 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.378 -0.094 25447 6602 1 16 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.914 0.632 25447 6603 1 16 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.586 -0.804 25447 6604 1 16 . 1 1 60 60 GLU H H 60 8.367 8.367 8.405 -0.038 25447 6605 1 16 . 1 1 61 61 LEU N N 61 124.827 124.827 126.098 -1.271 25447 6606 1 16 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.540 -0.182 25447 6607 1 16 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.030 0.786 25447 6608 1 16 . 1 1 61 61 LEU CB C 61 41.937 41.937 41.968 -0.031 25447 6609 1 16 . 1 1 61 61 LEU H H 61 8.198 8.198 8.414 -0.216 25447 6610 1 16 . 1 1 62 62 SER N N 62 118.715 118.715 120.351 -1.636 25447 6611 1 16 . 1 1 62 62 SER HA H 62 4.809 4.809 4.987 -0.178 25447 6612 1 16 . 1 1 62 62 SER CA C 62 55.732 55.732 55.478 0.254 25447 6613 1 16 . 1 1 62 62 SER CB C 62 64.017 64.017 65.116 -1.099 25447 6614 1 16 . 1 1 62 62 SER H H 62 8.137 8.137 8.260 -0.123 25447 6615 1 16 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.276 -0.023 25447 6616 1 16 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.233 -0.337 25447 6617 1 16 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.868 0.184 25447 6618 1 16 . 1 1 64 64 GLU N N 64 116.554 116.554 119.154 -2.600 25447 6619 1 16 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.148 -0.275 25447 6620 1 16 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.890 -0.171 25447 6621 1 16 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.243 -0.562 25447 6622 1 16 . 1 1 64 64 GLU H H 64 8.316 8.316 8.519 -0.203 25447 6623 1 16 . 1 1 65 65 HIS N N 65 115.487 115.487 120.230 -4.743 25447 6624 1 16 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.252 0.028 25447 6625 1 16 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.443 -0.791 25447 6626 1 16 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.601 0.281 25447 6627 1 16 . 1 1 65 65 HIS H H 65 7.274 7.274 8.324 -1.050 25447 6628 1 16 . 1 1 66 66 PHE N N 66 116.127 116.127 116.379 -0.252 25447 6629 1 16 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.652 0.114 25447 6630 1 16 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.696 -1.913 25447 6631 1 16 . 1 1 66 66 PHE CB C 66 38.908 38.908 38.076 0.832 25447 6632 1 16 . 1 1 66 66 PHE H H 66 7.239 7.239 7.795 -0.556 25447 6633 1 16 . 1 1 67 67 ARG N N 67 112.468 112.468 119.447 -6.979 25447 6634 1 16 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.991 0.094 25447 6635 1 16 . 1 1 67 67 ARG CA C 67 58.287 58.287 58.798 -0.511 25447 6636 1 16 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.611 1.149 25447 6637 1 16 . 1 1 67 67 ARG H H 67 6.628 6.628 7.927 -1.299 25447 6638 1 16 . 1 1 68 68 SER N N 68 109.305 109.305 110.156 -0.851 25447 6639 1 16 . 1 1 68 68 SER HA H 68 4.980 4.980 4.684 0.296 25447 6640 1 16 . 1 1 68 68 SER CA C 68 55.785 55.785 57.171 -1.386 25447 6641 1 16 . 1 1 68 68 SER CB C 68 67.691 67.691 64.897 2.795 25447 6642 1 16 . 1 1 68 68 SER H H 68 8.145 8.145 7.441 0.704 25447 6643 1 16 . 1 1 69 69 ILE N N 69 122.602 122.602 123.344 -0.742 25447 6644 1 16 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.755 -0.079 25447 6645 1 16 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.132 1.622 25447 6646 1 16 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.660 -0.363 25447 6647 1 16 . 1 1 69 69 ILE H H 69 9.775 9.775 9.055 0.720 25447 6648 1 16 . 1 1 70 70 ARG N N 70 118.764 118.764 118.837 -0.073 25447 6649 1 16 . 1 1 70 70 ARG HA H 70 3.955 3.955 4.042 -0.087 25447 6650 1 16 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.595 0.938 25447 6651 1 16 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.900 0.518 25447 6652 1 16 . 1 1 70 70 ARG H H 70 8.910 8.910 7.676 1.234 25447 6653 1 16 . 1 1 71 71 SER N N 71 117.670 117.670 115.546 2.124 25447 6654 1 16 . 1 1 71 71 SER HA H 71 4.330 4.330 4.208 0.122 25447 6655 1 16 . 1 1 71 71 SER CA C 71 62.287 62.287 61.192 1.095 25447 6656 1 16 . 1 1 71 71 SER CB C 71 63.278 63.278 61.989 1.289 25447 6657 1 16 . 1 1 71 71 SER H H 71 8.518 8.518 7.732 0.786 25447 6658 1 16 . 1 1 72 72 ILE N N 72 127.447 127.447 123.913 3.534 25447 6659 1 16 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.426 0.484 25447 6660 1 16 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.879 0.931 25447 6661 1 16 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.491 0.907 25447 6662 1 16 . 1 1 72 72 ILE H H 72 8.762 8.762 7.237 1.525 25447 6663 1 16 . 1 1 73 73 ASP N N 73 121.636 121.636 120.032 1.604 25447 6664 1 16 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.383 -0.370 25447 6665 1 16 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.238 1.910 25447 6666 1 16 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.711 2.829 25447 6667 1 16 . 1 1 73 73 ASP H H 73 8.677 8.677 7.923 0.754 25447 6668 1 16 . 1 1 74 74 ALA N N 74 118.793 118.793 121.891 -3.098 25447 6669 1 16 . 1 1 74 74 ALA HA H 74 4.044 4.044 3.981 0.063 25447 6670 1 16 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.218 0.103 25447 6671 1 16 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.461 -0.516 25447 6672 1 16 . 1 1 74 74 ALA H H 74 8.005 8.005 7.717 0.288 25447 6673 1 16 . 1 1 75 75 PHE N N 75 121.235 121.235 119.944 1.291 25447 6674 1 16 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.080 -0.042 25447 6675 1 16 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.929 -0.914 25447 6676 1 16 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.368 -0.531 25447 6677 1 16 . 1 1 75 75 PHE H H 75 8.353 8.353 8.524 -0.171 25447 6678 1 16 . 1 1 76 76 VAL N N 76 120.866 120.866 119.459 1.407 25447 6679 1 16 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.273 -0.330 25447 6680 1 16 . 1 1 76 76 VAL CA C 76 66.901 66.901 67.240 -0.339 25447 6681 1 16 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.789 -0.542 25447 6682 1 16 . 1 1 76 76 VAL H H 76 8.544 8.544 7.969 0.575 25447 6683 1 16 . 1 1 77 77 VAL N N 77 121.408 121.408 120.070 1.338 25447 6684 1 16 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.700 -0.205 25447 6685 1 16 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.309 0.524 25447 6686 1 16 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.729 0.201 25447 6687 1 16 . 1 1 77 77 VAL H H 77 8.708 8.708 7.936 0.772 25447 6688 1 16 . 1 1 78 78 GLY N N 78 106.402 106.402 107.273 -0.871 25447 6689 1 16 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.010 -0.170 25447 6690 1 16 . 1 1 78 78 GLY H H 78 7.945 7.945 8.555 -0.610 25447 6691 1 16 . 1 1 79 79 ALA N N 79 121.146 121.146 122.563 -1.417 25447 6692 1 16 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.954 0.253 25447 6693 1 16 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.264 -1.335 25447 6694 1 16 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.416 0.845 25447 6695 1 16 . 1 1 79 79 ALA H H 79 7.639 7.639 7.852 -0.213 25447 6696 1 16 . 1 1 80 80 THR N N 80 107.668 107.668 109.862 -2.194 25447 6697 1 16 . 1 1 80 80 THR HA H 80 4.443 4.443 4.250 0.193 25447 6698 1 16 . 1 1 80 80 THR CA C 80 61.406 61.406 63.122 -1.716 25447 6699 1 16 . 1 1 80 80 THR CB C 80 70.767 70.767 69.629 1.138 25447 6700 1 16 . 1 1 80 80 THR H H 80 7.449 7.449 7.770 -0.321 25447 6701 1 16 . 1 1 81 81 THR N N 81 119.953 119.953 116.370 3.583 25447 6702 1 16 . 1 1 81 81 THR HA H 81 4.665 4.665 4.818 -0.153 25447 6703 1 16 . 1 1 81 81 THR CA C 81 60.412 60.412 59.241 1.171 25447 6704 1 16 . 1 1 81 81 THR CB C 81 70.113 70.113 69.463 0.650 25447 6705 1 16 . 1 1 81 81 THR H H 81 7.685 7.685 7.972 -0.287 25447 6706 1 16 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.357 0.332 25447 6707 1 16 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.571 -0.883 25447 6708 1 16 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.779 0.190 25447 6709 1 16 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.275 0.206 25447 6710 1 16 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.974 -0.043 25447 6711 1 16 . 1 1 83 83 PRO CB C 83 32.193 32.193 31.892 0.301 25447 6712 1 16 . 1 1 84 84 VAL N N 84 120.691 120.691 121.917 -1.226 25447 6713 1 16 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.135 -0.042 25447 6714 1 16 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.069 1.270 25447 6715 1 16 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.429 0.422 25447 6716 1 16 . 1 1 84 84 VAL H H 84 8.257 8.257 8.161 0.096 25447 6717 1 16 . 1 1 85 85 GLU N N 85 127.655 127.655 122.546 5.109 25447 6718 1 16 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.874 0.410 25447 6719 1 16 . 1 1 85 85 GLU CA C 85 56.754 56.754 57.096 -0.342 25447 6720 1 16 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.730 1.829 25447 6721 1 16 . 1 1 85 85 GLU H H 85 8.202 8.202 8.690 -0.488 25447 6722 1 16 . 1 1 86 86 ALA N N 86 126.437 126.437 119.578 6.859 25447 6723 1 16 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.024 0.027 25447 6724 1 16 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.561 -0.413 25447 6725 1 16 . 1 1 86 86 ALA CB C 86 19.460 19.460 18.382 1.078 25447 6726 1 16 . 1 1 86 86 ALA H H 86 8.323 8.323 7.974 0.349 25447 6727 1 16 . 1 1 87 87 LYS N N 87 121.796 121.796 123.469 -1.673 25447 6728 1 16 . 1 1 87 87 LYS HA H 87 4.347 4.347 3.938 0.409 25447 6729 1 16 . 1 1 87 87 LYS CA C 87 56.297 56.297 58.594 -2.297 25447 6730 1 16 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.591 0.685 25447 6731 1 16 . 1 1 87 87 LYS H H 87 8.333 8.333 8.604 -0.271 25447 6732 1 16 . 1 1 88 88 LEU N N 88 125.576 125.576 116.953 8.623 25447 6733 1 16 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.133 -0.226 25447 6734 1 16 . 1 1 88 88 LEU CA C 88 55.772 55.772 56.413 -0.641 25447 6735 1 16 . 1 1 88 88 LEU CB C 88 42.472 42.472 41.925 0.547 25447 6736 1 16 . 1 1 88 88 LEU H H 88 8.444 8.444 7.951 0.493 25447 6737 1 17 . 1 1 1 1 MET N N 1 120.668 120.668 115.166 5.502 25447 6738 1 17 . 1 1 1 1 MET HA H 1 4.484 4.484 4.222 0.262 25447 6739 1 17 . 1 1 1 1 MET CA C 1 55.257 55.257 56.886 -1.629 25447 6740 1 17 . 1 1 1 1 MET CB C 1 34.517 34.517 33.065 1.452 25447 6741 1 17 . 1 1 1 1 MET H H 1 8.313 8.313 7.766 0.547 25447 6742 1 17 . 1 1 2 2 GLN N N 2 123.739 123.739 113.049 10.690 25447 6743 1 17 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.682 0.348 25447 6744 1 17 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.305 1.569 25447 6745 1 17 . 1 1 2 2 GLN CB C 2 29.938 29.938 26.682 3.256 25447 6746 1 17 . 1 1 2 2 GLN H H 2 9.455 9.455 7.606 1.849 25447 6747 1 17 . 1 1 3 3 HIS N N 3 119.115 119.115 109.710 9.405 25447 6748 1 17 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.285 0.831 25447 6749 1 17 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.253 -0.759 25447 6750 1 17 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.906 3.109 25447 6751 1 17 . 1 1 3 3 HIS H H 3 9.783 9.783 8.045 1.738 25447 6752 1 17 . 1 1 4 4 ALA N N 4 122.648 122.648 121.216 1.432 25447 6753 1 17 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.251 -0.348 25447 6754 1 17 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.492 0.987 25447 6755 1 17 . 1 1 4 4 ALA CB C 4 19.194 19.194 19.226 -0.032 25447 6756 1 17 . 1 1 4 4 ALA H H 4 7.551 7.551 8.022 -0.471 25447 6757 1 17 . 1 1 5 5 SER N N 5 112.599 112.599 115.261 -2.662 25447 6758 1 17 . 1 1 5 5 SER HA H 5 4.298 4.298 4.187 0.111 25447 6759 1 17 . 1 1 5 5 SER CA C 5 62.117 62.117 61.664 0.453 25447 6760 1 17 . 1 1 5 5 SER CB C 5 62.334 62.334 62.699 -0.365 25447 6761 1 17 . 1 1 5 5 SER H H 5 8.736 8.736 8.482 0.254 25447 6762 1 17 . 1 1 6 6 VAL N N 6 122.866 122.866 122.550 0.316 25447 6763 1 17 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.802 0.303 25447 6764 1 17 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.114 -0.382 25447 6765 1 17 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.659 1.078 25447 6766 1 17 . 1 1 6 6 VAL H H 6 7.660 7.660 7.743 -0.083 25447 6767 1 17 . 1 1 7 7 ILE N N 7 121.715 121.715 120.181 1.534 25447 6768 1 17 . 1 1 7 7 ILE HA H 7 4.224 4.224 3.810 0.414 25447 6769 1 17 . 1 1 7 7 ILE CA C 7 65.329 65.329 66.041 -0.712 25447 6770 1 17 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.563 1.130 25447 6771 1 17 . 1 1 7 7 ILE H H 7 8.519 8.519 7.654 0.865 25447 6772 1 17 . 1 1 8 8 ALA N N 8 121.373 121.373 121.575 -0.202 25447 6773 1 17 . 1 1 8 8 ALA HA H 8 3.895 3.895 3.998 -0.103 25447 6774 1 17 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.346 0.911 25447 6775 1 17 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.170 0.470 25447 6776 1 17 . 1 1 8 8 ALA H H 8 8.940 8.940 7.879 1.061 25447 6777 1 17 . 1 1 9 9 GLN N N 9 115.076 115.076 118.668 -3.592 25447 6778 1 17 . 1 1 9 9 GLN HA H 9 3.870 3.870 4.017 -0.147 25447 6779 1 17 . 1 1 9 9 GLN CA C 9 59.192 59.192 59.001 0.191 25447 6780 1 17 . 1 1 9 9 GLN CB C 9 28.138 28.138 29.079 -0.941 25447 6781 1 17 . 1 1 9 9 GLN H H 9 7.729 7.729 8.595 -0.866 25447 6782 1 17 . 1 1 10 10 PHE N N 10 120.207 120.207 120.893 -0.686 25447 6783 1 17 . 1 1 10 10 PHE HA H 10 4.085 4.085 4.297 -0.212 25447 6784 1 17 . 1 1 10 10 PHE CA C 10 60.893 60.893 60.354 0.539 25447 6785 1 17 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.858 0.074 25447 6786 1 17 . 1 1 10 10 PHE H H 10 7.301 7.301 8.729 -1.428 25447 6787 1 17 . 1 1 11 11 VAL N N 11 117.569 117.569 120.374 -2.805 25447 6788 1 17 . 1 1 11 11 VAL HA H 11 3.307 3.307 2.513 0.794 25447 6789 1 17 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.705 0.803 25447 6790 1 17 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.659 -0.172 25447 6791 1 17 . 1 1 11 11 VAL H H 11 8.370 8.370 8.015 0.355 25447 6792 1 17 . 1 1 12 12 VAL N N 12 117.909 117.909 119.484 -1.575 25447 6793 1 17 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.449 0.292 25447 6794 1 17 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.923 -1.047 25447 6795 1 17 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.576 -0.264 25447 6796 1 17 . 1 1 12 12 VAL H H 12 8.294 8.294 7.665 0.629 25447 6797 1 17 . 1 1 13 13 GLU N N 13 117.918 117.918 119.621 -1.703 25447 6798 1 17 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.977 -0.235 25447 6799 1 17 . 1 1 13 13 GLU CA C 13 59.307 59.307 59.011 0.296 25447 6800 1 17 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.397 0.092 25447 6801 1 17 . 1 1 13 13 GLU H H 13 7.750 7.750 7.707 0.043 25447 6802 1 17 . 1 1 14 14 GLU N N 14 113.478 113.478 118.381 -4.903 25447 6803 1 17 . 1 1 14 14 GLU HA H 14 3.778 3.778 3.987 -0.209 25447 6804 1 17 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.516 -1.716 25447 6805 1 17 . 1 1 14 14 GLU CB C 14 29.643 29.643 29.682 -0.039 25447 6806 1 17 . 1 1 14 14 GLU H H 14 7.603 7.603 7.759 -0.156 25447 6807 1 17 . 1 1 15 15 PHE N N 15 114.193 114.193 117.052 -2.859 25447 6808 1 17 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.446 0.493 25447 6809 1 17 . 1 1 15 15 PHE CA C 15 58.095 58.095 60.153 -2.058 25447 6810 1 17 . 1 1 15 15 PHE CB C 15 42.095 42.095 41.313 0.782 25447 6811 1 17 . 1 1 15 15 PHE H H 15 7.908 7.908 7.644 0.264 25447 6812 1 17 . 1 1 16 16 LEU N N 16 121.492 121.492 120.842 0.650 25447 6813 1 17 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.729 0.238 25447 6814 1 17 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.056 0.321 25447 6815 1 17 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.115 1.618 25447 6816 1 17 . 1 1 16 16 LEU H H 16 8.015 8.015 8.436 -0.421 25447 6817 1 17 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.385 -0.002 25447 6818 1 17 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.177 0.681 25447 6819 1 17 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.747 0.082 25447 6820 1 17 . 1 1 18 18 ASP N N 18 116.508 116.508 118.392 -1.884 25447 6821 1 17 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.731 -0.163 25447 6822 1 17 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.934 0.754 25447 6823 1 17 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.694 -0.068 25447 6824 1 17 . 1 1 18 18 ASP H H 18 8.399 8.399 8.594 -0.195 25447 6825 1 17 . 1 1 19 19 VAL N N 19 122.135 122.135 120.742 1.393 25447 6826 1 17 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.181 -0.063 25447 6827 1 17 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.632 0.661 25447 6828 1 17 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.995 -0.413 25447 6829 1 17 . 1 1 19 19 VAL H H 19 7.760 7.760 7.297 0.463 25447 6830 1 17 . 1 1 20 20 ALA N N 20 129.301 129.301 130.503 -1.202 25447 6831 1 17 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.577 0.022 25447 6832 1 17 . 1 1 20 20 ALA CA C 20 50.270 50.270 49.958 0.312 25447 6833 1 17 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.293 -0.865 25447 6834 1 17 . 1 1 20 20 ALA H H 20 8.761 8.761 8.309 0.452 25447 6835 1 17 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.148 -0.071 25447 6836 1 17 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.387 0.816 25447 6837 1 17 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.809 -0.401 25447 6838 1 17 . 1 1 22 22 ALA N N 22 116.106 116.106 118.135 -2.029 25447 6839 1 17 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.130 -0.013 25447 6840 1 17 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.203 -0.207 25447 6841 1 17 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.233 0.611 25447 6842 1 17 . 1 1 22 22 ALA H H 22 8.064 8.064 7.918 0.146 25447 6843 1 17 . 1 1 23 23 ASP N N 23 115.541 115.541 117.814 -2.273 25447 6844 1 17 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.637 0.040 25447 6845 1 17 . 1 1 23 23 ASP CA C 23 54.336 54.336 54.015 0.321 25447 6846 1 17 . 1 1 23 23 ASP CB C 23 41.353 41.353 41.167 0.186 25447 6847 1 17 . 1 1 23 23 ASP H H 23 8.003 8.003 8.113 -0.110 25447 6848 1 17 . 1 1 24 24 VAL N N 24 121.517 121.517 120.837 0.680 25447 6849 1 17 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.163 -0.342 25447 6850 1 17 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.706 0.638 25447 6851 1 17 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.426 -1.693 25447 6852 1 17 . 1 1 24 24 VAL H H 24 7.069 7.069 7.450 -0.381 25447 6853 1 17 . 1 1 25 25 ASP N N 25 129.329 129.329 128.098 1.231 25447 6854 1 17 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.826 -0.252 25447 6855 1 17 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.123 1.443 25447 6856 1 17 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.883 0.450 25447 6857 1 17 . 1 1 25 25 ASP H H 25 8.474 8.474 8.744 -0.270 25447 6858 1 17 . 1 1 26 26 VAL N N 26 121.920 121.920 121.161 0.759 25447 6859 1 17 . 1 1 26 26 VAL HA H 26 4.108 4.108 3.965 0.143 25447 6860 1 17 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.352 1.166 25447 6861 1 17 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.683 -0.485 25447 6862 1 17 . 1 1 26 26 VAL H H 26 8.591 8.591 8.666 -0.075 25447 6863 1 17 . 1 1 27 27 ASP N N 27 116.286 116.286 118.128 -1.842 25447 6864 1 17 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.660 0.485 25447 6865 1 17 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.728 -0.547 25447 6866 1 17 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.837 1.738 25447 6867 1 17 . 1 1 27 27 ASP H H 27 8.609 8.609 8.028 0.581 25447 6868 1 17 . 1 1 28 28 LEU N N 28 125.116 125.116 122.490 2.626 25447 6869 1 17 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.531 -0.520 25447 6870 1 17 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.340 1.748 25447 6871 1 17 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.995 -0.674 25447 6872 1 17 . 1 1 28 28 LEU H H 28 7.374 7.374 7.392 -0.018 25447 6873 1 17 . 1 1 29 29 ASP N N 29 125.924 125.924 123.690 2.234 25447 6874 1 17 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.630 0.204 25447 6875 1 17 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.852 -0.932 25447 6876 1 17 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.122 0.257 25447 6877 1 17 . 1 1 29 29 ASP H H 29 8.699 8.699 8.497 0.202 25447 6878 1 17 . 1 1 30 30 LEU N N 30 129.975 129.975 126.714 3.261 25447 6879 1 17 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.142 -0.225 25447 6880 1 17 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.267 -0.879 25447 6881 1 17 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.460 -0.221 25447 6882 1 17 . 1 1 30 30 LEU H H 30 9.718 9.718 8.015 1.703 25447 6883 1 17 . 1 1 31 31 VAL N N 31 121.212 121.212 118.057 3.155 25447 6884 1 17 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.540 0.653 25447 6885 1 17 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.990 -2.557 25447 6886 1 17 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.510 0.665 25447 6887 1 17 . 1 1 31 31 VAL H H 31 8.163 8.163 7.338 0.825 25447 6888 1 17 . 1 1 32 32 ASP N N 32 124.893 124.893 118.371 6.522 25447 6889 1 17 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.323 0.035 25447 6890 1 17 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.693 0.532 25447 6891 1 17 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.620 0.115 25447 6892 1 17 . 1 1 32 32 ASP H H 32 9.385 9.385 8.694 0.691 25447 6893 1 17 . 1 1 33 33 ASN N N 33 111.484 111.484 116.615 -5.131 25447 6894 1 17 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.583 0.137 25447 6895 1 17 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.607 0.279 25447 6896 1 17 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.040 -0.034 25447 6897 1 17 . 1 1 33 33 ASN H H 33 7.396 7.396 7.636 -0.240 25447 6898 1 17 . 1 1 34 34 GLY N N 34 106.957 106.957 105.826 1.131 25447 6899 1 17 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.763 0.844 25447 6900 1 17 . 1 1 34 34 GLY H H 34 7.618 7.618 7.914 -0.296 25447 6901 1 17 . 1 1 35 35 VAL N N 35 120.424 120.424 118.596 1.828 25447 6902 1 17 . 1 1 35 35 VAL HA H 35 3.766 3.766 2.978 0.788 25447 6903 1 17 . 1 1 35 35 VAL CA C 35 65.125 65.125 63.982 1.143 25447 6904 1 17 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.535 0.344 25447 6905 1 17 . 1 1 35 35 VAL H H 35 7.792 7.792 7.824 -0.032 25447 6906 1 17 . 1 1 36 36 ILE N N 36 116.364 116.364 119.467 -3.103 25447 6907 1 17 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.844 -0.107 25447 6908 1 17 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.342 -0.657 25447 6909 1 17 . 1 1 36 36 ILE CB C 36 38.807 38.807 38.157 0.650 25447 6910 1 17 . 1 1 36 36 ILE H H 36 7.331 7.331 7.570 -0.239 25447 6911 1 17 . 1 1 37 37 ASP N N 37 127.306 127.306 125.941 1.365 25447 6912 1 17 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.635 0.029 25447 6913 1 17 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.852 -1.236 25447 6914 1 17 . 1 1 37 37 ASP CB C 37 41.209 41.209 43.612 -2.403 25447 6915 1 17 . 1 1 37 37 ASP H H 37 7.874 7.874 7.956 -0.082 25447 6916 1 17 . 1 1 38 38 ALA N N 38 120.352 120.352 122.690 -2.338 25447 6917 1 17 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.109 -0.114 25447 6918 1 17 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.297 0.994 25447 6919 1 17 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.481 -0.169 25447 6920 1 17 . 1 1 38 38 ALA H H 38 8.244 8.244 8.303 -0.059 25447 6921 1 17 . 1 1 39 39 LEU N N 39 117.438 117.438 119.411 -1.973 25447 6922 1 17 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.236 0.014 25447 6923 1 17 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.518 -0.163 25447 6924 1 17 . 1 1 39 39 LEU CB C 39 41.236 41.236 40.986 0.250 25447 6925 1 17 . 1 1 39 39 LEU H H 39 7.688 7.688 8.361 -0.673 25447 6926 1 17 . 1 1 40 40 GLY N N 40 112.015 112.015 107.232 4.783 25447 6927 1 17 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.171 0.928 25447 6928 1 17 . 1 1 40 40 GLY H H 40 8.732 8.732 8.291 0.441 25447 6929 1 17 . 1 1 41 41 LEU N N 41 122.983 122.983 122.818 0.165 25447 6930 1 17 . 1 1 41 41 LEU HA H 41 3.851 3.851 4.049 -0.198 25447 6931 1 17 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.494 0.838 25447 6932 1 17 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.894 -0.255 25447 6933 1 17 . 1 1 41 41 LEU H H 41 8.548 8.548 8.081 0.467 25447 6934 1 17 . 1 1 42 42 LEU N N 42 116.076 116.076 120.023 -3.947 25447 6935 1 17 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.980 0.048 25447 6936 1 17 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.021 0.043 25447 6937 1 17 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.504 -0.564 25447 6938 1 17 . 1 1 42 42 LEU H H 42 7.168 7.168 7.691 -0.523 25447 6939 1 17 . 1 1 43 43 LYS N N 43 119.831 119.831 119.035 0.796 25447 6940 1 17 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.096 0.188 25447 6941 1 17 . 1 1 43 43 LYS CA C 43 59.644 59.644 60.068 -0.424 25447 6942 1 17 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.315 0.212 25447 6943 1 17 . 1 1 43 43 LYS H H 43 7.640 7.640 8.290 -0.650 25447 6944 1 17 . 1 1 44 44 VAL N N 44 121.046 121.046 120.562 0.484 25447 6945 1 17 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.097 -0.148 25447 6946 1 17 . 1 1 44 44 VAL CB C 44 31.643 31.643 32.061 -0.418 25447 6947 1 17 . 1 1 44 44 VAL H H 44 8.269 8.269 7.788 0.481 25447 6948 1 17 . 1 1 45 45 ILE N N 45 119.333 119.333 119.458 -0.125 25447 6949 1 17 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.690 -0.286 25447 6950 1 17 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.675 1.473 25447 6951 1 17 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.380 0.896 25447 6952 1 17 . 1 1 45 45 ILE H H 45 8.145 8.145 7.798 0.347 25447 6953 1 17 . 1 1 46 46 ALA N N 46 121.213 121.213 123.452 -2.239 25447 6954 1 17 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.148 0.109 25447 6955 1 17 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.236 -0.072 25447 6956 1 17 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.441 -0.073 25447 6957 1 17 . 1 1 46 46 ALA H H 46 7.792 7.792 8.197 -0.405 25447 6958 1 17 . 1 1 47 47 TRP N N 47 121.416 121.416 120.201 1.215 25447 6959 1 17 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.500 -0.266 25447 6960 1 17 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.794 1.876 25447 6961 1 17 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.597 -1.358 25447 6962 1 17 . 1 1 47 47 TRP H H 47 8.093 8.093 8.132 -0.039 25447 6963 1 17 . 1 1 48 48 LEU N N 48 118.963 118.963 121.154 -2.191 25447 6964 1 17 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.843 0.743 25447 6965 1 17 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.807 0.388 25447 6966 1 17 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.277 0.974 25447 6967 1 17 . 1 1 48 48 LEU H H 48 8.693 8.693 7.526 1.167 25447 6968 1 17 . 1 1 49 49 GLU N N 49 119.131 119.131 117.485 1.646 25447 6969 1 17 . 1 1 49 49 GLU HA H 49 4.050 4.050 4.002 0.048 25447 6970 1 17 . 1 1 49 49 GLU CA C 49 59.862 59.862 58.969 0.893 25447 6971 1 17 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.802 0.784 25447 6972 1 17 . 1 1 49 49 GLU H H 49 7.771 7.771 7.877 -0.105 25447 6973 1 17 . 1 1 50 50 ASP N N 50 119.941 119.941 120.120 -0.179 25447 6974 1 17 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.404 -0.167 25447 6975 1 17 . 1 1 50 50 ASP CA C 50 57.355 57.355 57.044 0.311 25447 6976 1 17 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.961 1.422 25447 6977 1 17 . 1 1 50 50 ASP H H 50 7.697 7.697 7.598 0.099 25447 6978 1 17 . 1 1 51 51 ARG N N 51 116.911 116.911 118.028 -1.117 25447 6979 1 17 . 1 1 51 51 ARG HA H 51 3.736 3.736 3.987 -0.251 25447 6980 1 17 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.478 -2.114 25447 6981 1 17 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.288 -0.973 25447 6982 1 17 . 1 1 51 51 ARG H H 51 8.881 8.881 7.833 1.048 25447 6983 1 17 . 1 1 52 52 PHE N N 52 112.328 112.328 116.563 -4.235 25447 6984 1 17 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.638 0.037 25447 6985 1 17 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.928 -0.515 25447 6986 1 17 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.158 1.734 25447 6987 1 17 . 1 1 52 52 PHE H H 52 7.284 7.284 7.603 -0.319 25447 6988 1 17 . 1 1 53 53 GLY N N 53 109.826 109.826 108.710 1.116 25447 6989 1 17 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.631 1.170 25447 6990 1 17 . 1 1 53 53 GLY H H 53 7.427 7.427 7.807 -0.380 25447 6991 1 17 . 1 1 54 54 ILE N N 54 119.127 119.127 115.364 3.763 25447 6992 1 17 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.500 -0.549 25447 6993 1 17 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.677 1.008 25447 6994 1 17 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.671 -0.181 25447 6995 1 17 . 1 1 54 54 ILE H H 54 6.876 6.876 7.598 -0.722 25447 6996 1 17 . 1 1 55 55 ALA N N 55 129.823 129.823 125.297 4.526 25447 6997 1 17 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.555 -0.141 25447 6998 1 17 . 1 1 55 55 ALA CA C 55 51.610 51.610 51.058 0.552 25447 6999 1 17 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.288 -1.026 25447 7000 1 17 . 1 1 55 55 ALA H H 55 8.499 8.499 8.113 0.386 25447 7001 1 17 . 1 1 56 56 ALA N N 56 126.300 126.300 124.041 2.259 25447 7002 1 17 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.107 0.162 25447 7003 1 17 . 1 1 56 56 ALA CA C 56 53.474 53.474 53.279 0.195 25447 7004 1 17 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.791 0.453 25447 7005 1 17 . 1 1 56 56 ALA H H 56 8.641 8.641 8.558 0.083 25447 7006 1 17 . 1 1 57 57 ASP N N 57 116.395 116.395 116.726 -0.331 25447 7007 1 17 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.431 0.048 25447 7008 1 17 . 1 1 57 57 ASP CA C 57 55.226 55.226 54.381 0.845 25447 7009 1 17 . 1 1 57 57 ASP CB C 57 40.922 40.922 39.706 1.216 25447 7010 1 17 . 1 1 57 57 ASP H H 57 8.337 8.337 8.045 0.292 25447 7011 1 17 . 1 1 58 58 ASP N N 58 118.557 118.557 116.580 1.977 25447 7012 1 17 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.303 0.333 25447 7013 1 17 . 1 1 58 58 ASP CA C 58 55.144 55.144 54.940 0.204 25447 7014 1 17 . 1 1 58 58 ASP CB C 58 41.504 41.504 39.512 1.992 25447 7015 1 17 . 1 1 58 58 ASP H H 58 8.027 8.027 8.532 -0.505 25447 7016 1 17 . 1 1 59 59 VAL N N 59 118.898 118.898 117.873 1.025 25447 7017 1 17 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.363 -0.187 25447 7018 1 17 . 1 1 59 59 VAL CA C 59 62.300 62.300 60.975 1.325 25447 7019 1 17 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.515 -1.437 25447 7020 1 17 . 1 1 59 59 VAL H H 59 7.716 7.716 7.430 0.286 25447 7021 1 17 . 1 1 60 60 GLU N N 60 122.888 122.888 126.655 -3.767 25447 7022 1 17 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.540 -0.256 25447 7023 1 17 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.532 1.014 25447 7024 1 17 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.772 -0.990 25447 7025 1 17 . 1 1 60 60 GLU H H 60 8.367 8.367 8.455 -0.088 25447 7026 1 17 . 1 1 61 61 LEU N N 61 124.827 124.827 124.190 0.637 25447 7027 1 17 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.612 -0.254 25447 7028 1 17 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.332 0.484 25447 7029 1 17 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.193 -1.256 25447 7030 1 17 . 1 1 61 61 LEU H H 61 8.198 8.198 8.569 -0.371 25447 7031 1 17 . 1 1 62 62 SER N N 62 118.715 118.715 118.428 0.287 25447 7032 1 17 . 1 1 62 62 SER HA H 62 4.809 4.809 4.876 -0.067 25447 7033 1 17 . 1 1 62 62 SER CA C 62 55.732 55.732 55.647 0.085 25447 7034 1 17 . 1 1 62 62 SER CB C 62 64.017 64.017 64.339 -0.322 25447 7035 1 17 . 1 1 62 62 SER H H 62 8.137 8.137 8.290 -0.153 25447 7036 1 17 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.181 0.072 25447 7037 1 17 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.129 -0.233 25447 7038 1 17 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.734 0.318 25447 7039 1 17 . 1 1 64 64 GLU N N 64 116.554 116.554 119.337 -2.783 25447 7040 1 17 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.114 -0.241 25447 7041 1 17 . 1 1 64 64 GLU CA C 64 58.719 58.719 59.143 -0.424 25447 7042 1 17 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.143 -0.462 25447 7043 1 17 . 1 1 64 64 GLU H H 64 8.316 8.316 8.429 -0.113 25447 7044 1 17 . 1 1 65 65 HIS N N 65 115.487 115.487 119.337 -3.850 25447 7045 1 17 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.266 0.014 25447 7046 1 17 . 1 1 65 65 HIS CA C 65 57.652 57.652 57.977 -0.325 25447 7047 1 17 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.638 0.244 25447 7048 1 17 . 1 1 65 65 HIS H H 65 7.274 7.274 8.054 -0.780 25447 7049 1 17 . 1 1 66 66 PHE N N 66 116.127 116.127 116.246 -0.119 25447 7050 1 17 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.444 0.322 25447 7051 1 17 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.570 -1.788 25447 7052 1 17 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.489 1.419 25447 7053 1 17 . 1 1 66 66 PHE H H 66 7.239 7.239 7.782 -0.543 25447 7054 1 17 . 1 1 67 67 ARG N N 67 112.468 112.468 119.405 -6.937 25447 7055 1 17 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.958 0.127 25447 7056 1 17 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.026 -0.739 25447 7057 1 17 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.472 1.288 25447 7058 1 17 . 1 1 67 67 ARG H H 67 6.628 6.628 7.859 -1.231 25447 7059 1 17 . 1 1 68 68 SER N N 68 109.305 109.305 111.098 -1.793 25447 7060 1 17 . 1 1 68 68 SER HA H 68 4.980 4.980 4.734 0.246 25447 7061 1 17 . 1 1 68 68 SER CA C 68 55.785 55.785 56.519 -0.734 25447 7062 1 17 . 1 1 68 68 SER CB C 68 67.691 67.691 65.190 2.501 25447 7063 1 17 . 1 1 68 68 SER H H 68 8.145 8.145 7.461 0.684 25447 7064 1 17 . 1 1 69 69 ILE N N 69 122.602 122.602 124.294 -1.692 25447 7065 1 17 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.741 -0.065 25447 7066 1 17 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.461 1.293 25447 7067 1 17 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.484 -0.188 25447 7068 1 17 . 1 1 69 69 ILE H H 69 9.775 9.775 9.152 0.623 25447 7069 1 17 . 1 1 70 70 ARG N N 70 118.764 118.764 120.220 -1.456 25447 7070 1 17 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.963 -0.008 25447 7071 1 17 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.741 0.792 25447 7072 1 17 . 1 1 70 70 ARG CB C 70 30.418 30.418 28.993 1.425 25447 7073 1 17 . 1 1 70 70 ARG H H 70 8.910 8.910 7.655 1.255 25447 7074 1 17 . 1 1 71 71 SER N N 71 117.670 117.670 116.661 1.009 25447 7075 1 17 . 1 1 71 71 SER HA H 71 4.330 4.330 4.347 -0.017 25447 7076 1 17 . 1 1 71 71 SER CA C 71 62.287 62.287 61.468 0.819 25447 7077 1 17 . 1 1 71 71 SER CB C 71 63.278 63.278 62.819 0.459 25447 7078 1 17 . 1 1 71 71 SER H H 71 8.518 8.518 7.773 0.745 25447 7079 1 17 . 1 1 72 72 ILE N N 72 127.447 127.447 123.273 4.174 25447 7080 1 17 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.786 0.124 25447 7081 1 17 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.306 1.505 25447 7082 1 17 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.788 0.610 25447 7083 1 17 . 1 1 72 72 ILE H H 72 8.762 8.762 7.974 0.788 25447 7084 1 17 . 1 1 73 73 ASP N N 73 121.636 121.636 119.853 1.783 25447 7085 1 17 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.327 -0.314 25447 7086 1 17 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.230 1.918 25447 7087 1 17 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.777 2.763 25447 7088 1 17 . 1 1 73 73 ASP H H 73 8.677 8.677 8.150 0.527 25447 7089 1 17 . 1 1 74 74 ALA N N 74 118.793 118.793 122.088 -3.295 25447 7090 1 17 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.003 0.041 25447 7091 1 17 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.108 0.212 25447 7092 1 17 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.513 -0.568 25447 7093 1 17 . 1 1 74 74 ALA H H 74 8.005 8.005 8.049 -0.044 25447 7094 1 17 . 1 1 75 75 PHE N N 75 121.235 121.235 120.125 1.110 25447 7095 1 17 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.006 0.032 25447 7096 1 17 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.856 -0.841 25447 7097 1 17 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.289 -0.452 25447 7098 1 17 . 1 1 75 75 PHE H H 75 8.353 8.353 8.451 -0.098 25447 7099 1 17 . 1 1 76 76 VAL N N 76 120.866 120.866 118.641 2.225 25447 7100 1 17 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.369 -0.426 25447 7101 1 17 . 1 1 76 76 VAL CA C 76 66.901 66.901 67.048 -0.147 25447 7102 1 17 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.043 0.204 25447 7103 1 17 . 1 1 76 76 VAL H H 76 8.544 8.544 7.825 0.719 25447 7104 1 17 . 1 1 77 77 VAL N N 77 121.408 121.408 120.011 1.397 25447 7105 1 17 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.730 -0.235 25447 7106 1 17 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.230 0.603 25447 7107 1 17 . 1 1 77 77 VAL CB C 77 31.930 31.930 30.923 1.007 25447 7108 1 17 . 1 1 77 77 VAL H H 77 8.708 8.708 7.907 0.801 25447 7109 1 17 . 1 1 78 78 GLY N N 78 106.402 106.402 107.533 -1.131 25447 7110 1 17 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.180 -0.340 25447 7111 1 17 . 1 1 78 78 GLY H H 78 7.945 7.945 8.575 -0.630 25447 7112 1 17 . 1 1 79 79 ALA N N 79 121.146 121.146 122.861 -1.715 25447 7113 1 17 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.954 0.253 25447 7114 1 17 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.220 -1.291 25447 7115 1 17 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.285 0.976 25447 7116 1 17 . 1 1 79 79 ALA H H 79 7.639 7.639 7.585 0.054 25447 7117 1 17 . 1 1 80 80 THR N N 80 107.668 107.668 109.321 -1.653 25447 7118 1 17 . 1 1 80 80 THR HA H 80 4.443 4.443 4.208 0.235 25447 7119 1 17 . 1 1 80 80 THR CA C 80 61.406 61.406 63.011 -1.605 25447 7120 1 17 . 1 1 80 80 THR CB C 80 70.767 70.767 69.450 1.317 25447 7121 1 17 . 1 1 80 80 THR H H 80 7.449 7.449 7.811 -0.362 25447 7122 1 17 . 1 1 81 81 THR N N 81 119.953 119.953 115.607 4.346 25447 7123 1 17 . 1 1 81 81 THR HA H 81 4.665 4.665 4.785 -0.120 25447 7124 1 17 . 1 1 81 81 THR CA C 81 60.412 60.412 58.890 1.522 25447 7125 1 17 . 1 1 81 81 THR CB C 81 70.113 70.113 69.531 0.582 25447 7126 1 17 . 1 1 81 81 THR H H 81 7.685 7.685 7.915 -0.230 25447 7127 1 17 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.611 0.078 25447 7128 1 17 . 1 1 82 82 PRO CA C 82 61.688 61.688 61.896 -0.208 25447 7129 1 17 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.841 0.128 25447 7130 1 17 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.411 0.070 25447 7131 1 17 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.630 0.301 25447 7132 1 17 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.467 -0.274 25447 7133 1 17 . 1 1 84 84 VAL N N 84 120.691 120.691 122.312 -1.621 25447 7134 1 17 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.131 -0.038 25447 7135 1 17 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.496 0.843 25447 7136 1 17 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.591 0.260 25447 7137 1 17 . 1 1 84 84 VAL H H 84 8.257 8.257 8.246 0.011 25447 7138 1 17 . 1 1 85 85 GLU N N 85 127.655 127.655 121.950 5.705 25447 7139 1 17 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.917 0.367 25447 7140 1 17 . 1 1 85 85 GLU CA C 85 56.754 56.754 57.030 -0.276 25447 7141 1 17 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.697 1.862 25447 7142 1 17 . 1 1 85 85 GLU H H 85 8.202 8.202 8.708 -0.506 25447 7143 1 17 . 1 1 86 86 ALA N N 86 126.437 126.437 119.502 6.935 25447 7144 1 17 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.010 0.041 25447 7145 1 17 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.376 -0.228 25447 7146 1 17 . 1 1 86 86 ALA CB C 86 19.460 19.460 18.797 0.662 25447 7147 1 17 . 1 1 86 86 ALA H H 86 8.323 8.323 7.614 0.709 25447 7148 1 17 . 1 1 87 87 LYS N N 87 121.796 121.796 119.753 2.043 25447 7149 1 17 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.080 0.267 25447 7150 1 17 . 1 1 87 87 LYS CA C 87 56.297 56.297 58.057 -1.760 25447 7151 1 17 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.682 0.594 25447 7152 1 17 . 1 1 87 87 LYS H H 87 8.333 8.333 8.507 -0.174 25447 7153 1 17 . 1 1 88 88 LEU N N 88 125.576 125.576 121.044 4.532 25447 7154 1 17 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.452 -0.545 25447 7155 1 17 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.255 1.517 25447 7156 1 17 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.464 0.008 25447 7157 1 17 . 1 1 88 88 LEU H H 88 8.444 8.444 7.662 0.782 25447 7158 1 18 . 1 1 1 1 MET N N 1 120.668 120.668 120.312 0.356 25447 7159 1 18 . 1 1 1 1 MET HA H 1 4.484 4.484 4.660 -0.176 25447 7160 1 18 . 1 1 1 1 MET CA C 1 55.257 55.257 55.828 -0.571 25447 7161 1 18 . 1 1 1 1 MET CB C 1 34.517 34.517 33.738 0.779 25447 7162 1 18 . 1 1 1 1 MET H H 1 8.313 8.313 8.426 -0.113 25447 7163 1 18 . 1 1 2 2 GLN N N 2 123.739 123.739 117.376 6.363 25447 7164 1 18 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.341 -0.311 25447 7165 1 18 . 1 1 2 2 GLN CA C 2 57.874 57.874 57.117 0.757 25447 7166 1 18 . 1 1 2 2 GLN CB C 2 29.938 29.938 29.557 0.381 25447 7167 1 18 . 1 1 2 2 GLN H H 2 9.455 9.455 8.568 0.887 25447 7168 1 18 . 1 1 3 3 HIS N N 3 119.115 119.115 117.841 1.274 25447 7169 1 18 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.951 0.165 25447 7170 1 18 . 1 1 3 3 HIS CA C 3 55.494 55.494 55.434 0.059 25447 7171 1 18 . 1 1 3 3 HIS CB C 3 31.015 31.015 30.451 0.564 25447 7172 1 18 . 1 1 3 3 HIS H H 3 9.783 9.783 8.085 1.698 25447 7173 1 18 . 1 1 4 4 ALA N N 4 122.648 122.648 124.224 -1.576 25447 7174 1 18 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.072 -0.169 25447 7175 1 18 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.875 0.604 25447 7176 1 18 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.401 0.793 25447 7177 1 18 . 1 1 4 4 ALA H H 4 7.551 7.551 7.914 -0.363 25447 7178 1 18 . 1 1 5 5 SER N N 5 112.599 112.599 113.591 -0.992 25447 7179 1 18 . 1 1 5 5 SER HA H 5 4.298 4.298 4.180 0.118 25447 7180 1 18 . 1 1 5 5 SER CA C 5 62.117 62.117 62.087 0.030 25447 7181 1 18 . 1 1 5 5 SER CB C 5 62.334 62.334 62.416 -0.082 25447 7182 1 18 . 1 1 5 5 SER H H 5 8.736 8.736 8.523 0.213 25447 7183 1 18 . 1 1 6 6 VAL N N 6 122.866 122.866 122.493 0.373 25447 7184 1 18 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.833 0.272 25447 7185 1 18 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.356 -0.624 25447 7186 1 18 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.667 1.070 25447 7187 1 18 . 1 1 6 6 VAL H H 6 7.660 7.660 7.330 0.330 25447 7188 1 18 . 1 1 7 7 ILE N N 7 121.715 121.715 120.194 1.521 25447 7189 1 18 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.176 0.048 25447 7190 1 18 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.980 -0.651 25447 7191 1 18 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.528 1.165 25447 7192 1 18 . 1 1 7 7 ILE H H 7 8.519 8.519 8.210 0.309 25447 7193 1 18 . 1 1 8 8 ALA N N 8 121.373 121.373 121.386 -0.013 25447 7194 1 18 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.021 -0.126 25447 7195 1 18 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.365 0.892 25447 7196 1 18 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.020 0.620 25447 7197 1 18 . 1 1 8 8 ALA H H 8 8.940 8.940 8.104 0.836 25447 7198 1 18 . 1 1 9 9 GLN N N 9 115.076 115.076 119.205 -4.129 25447 7199 1 18 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.958 -0.088 25447 7200 1 18 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.970 0.222 25447 7201 1 18 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.642 -0.504 25447 7202 1 18 . 1 1 9 9 GLN H H 9 7.729 7.729 7.856 -0.127 25447 7203 1 18 . 1 1 10 10 PHE N N 10 120.207 120.207 118.855 1.352 25447 7204 1 18 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.852 0.233 25447 7205 1 18 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.793 -0.900 25447 7206 1 18 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.143 0.789 25447 7207 1 18 . 1 1 10 10 PHE H H 10 7.301 7.301 7.935 -0.634 25447 7208 1 18 . 1 1 11 11 VAL N N 11 117.569 117.569 117.274 0.295 25447 7209 1 18 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.910 -0.603 25447 7210 1 18 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.708 0.800 25447 7211 1 18 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.462 0.025 25447 7212 1 18 . 1 1 11 11 VAL H H 11 8.370 8.370 7.854 0.516 25447 7213 1 18 . 1 1 12 12 VAL N N 12 117.909 117.909 121.031 -3.122 25447 7214 1 18 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.675 0.066 25447 7215 1 18 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.560 -0.684 25447 7216 1 18 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.060 0.252 25447 7217 1 18 . 1 1 12 12 VAL H H 12 8.294 8.294 8.107 0.187 25447 7218 1 18 . 1 1 13 13 GLU N N 13 117.918 117.918 119.100 -1.182 25447 7219 1 18 . 1 1 13 13 GLU HA H 13 3.742 3.742 4.017 -0.275 25447 7220 1 18 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.869 0.438 25447 7221 1 18 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.294 0.195 25447 7222 1 18 . 1 1 13 13 GLU H H 13 7.750 7.750 8.183 -0.433 25447 7223 1 18 . 1 1 14 14 GLU N N 14 113.478 113.478 118.330 -4.852 25447 7224 1 18 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.115 -0.337 25447 7225 1 18 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.910 -2.110 25447 7226 1 18 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.114 -0.471 25447 7227 1 18 . 1 1 14 14 GLU H H 14 7.603 7.603 8.166 -0.563 25447 7228 1 18 . 1 1 15 15 PHE N N 15 114.193 114.193 115.504 -1.311 25447 7229 1 18 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.684 0.255 25447 7230 1 18 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.934 -0.839 25447 7231 1 18 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.331 -0.236 25447 7232 1 18 . 1 1 15 15 PHE H H 15 7.908 7.908 7.593 0.315 25447 7233 1 18 . 1 1 16 16 LEU N N 16 121.492 121.492 121.511 -0.019 25447 7234 1 18 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.771 0.196 25447 7235 1 18 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.087 0.289 25447 7236 1 18 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.296 1.437 25447 7237 1 18 . 1 1 16 16 LEU H H 16 8.015 8.015 7.969 0.046 25447 7238 1 18 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.419 -0.036 25447 7239 1 18 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.867 0.991 25447 7240 1 18 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.803 0.026 25447 7241 1 18 . 1 1 18 18 ASP N N 18 116.508 116.508 118.140 -1.632 25447 7242 1 18 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.681 -0.113 25447 7243 1 18 . 1 1 18 18 ASP CA C 18 54.688 54.688 54.148 0.540 25447 7244 1 18 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.609 0.017 25447 7245 1 18 . 1 1 18 18 ASP H H 18 8.399 8.399 8.542 -0.143 25447 7246 1 18 . 1 1 19 19 VAL N N 19 122.135 122.135 120.526 1.609 25447 7247 1 18 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.156 -0.038 25447 7248 1 18 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.328 0.965 25447 7249 1 18 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.293 0.289 25447 7250 1 18 . 1 1 19 19 VAL H H 19 7.760 7.760 7.247 0.513 25447 7251 1 18 . 1 1 20 20 ALA N N 20 129.301 129.301 130.588 -1.287 25447 7252 1 18 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.543 0.056 25447 7253 1 18 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.154 0.116 25447 7254 1 18 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.375 -0.948 25447 7255 1 18 . 1 1 20 20 ALA H H 20 8.761 8.761 8.491 0.270 25447 7256 1 18 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.175 -0.098 25447 7257 1 18 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.512 0.691 25447 7258 1 18 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.805 -0.397 25447 7259 1 18 . 1 1 22 22 ALA N N 22 116.106 116.106 118.348 -2.242 25447 7260 1 18 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.152 -0.035 25447 7261 1 18 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.034 -0.038 25447 7262 1 18 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.363 0.481 25447 7263 1 18 . 1 1 22 22 ALA H H 22 8.064 8.064 7.989 0.075 25447 7264 1 18 . 1 1 23 23 ASP N N 23 115.541 115.541 116.310 -0.769 25447 7265 1 18 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.575 0.102 25447 7266 1 18 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.722 0.614 25447 7267 1 18 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.383 0.970 25447 7268 1 18 . 1 1 23 23 ASP H H 23 8.003 8.003 8.140 -0.137 25447 7269 1 18 . 1 1 24 24 VAL N N 24 121.517 121.517 121.326 0.191 25447 7270 1 18 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.170 -0.349 25447 7271 1 18 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.627 0.718 25447 7272 1 18 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.870 -1.137 25447 7273 1 18 . 1 1 24 24 VAL H H 24 7.069 7.069 7.564 -0.495 25447 7274 1 18 . 1 1 25 25 ASP N N 25 129.329 129.329 126.777 2.552 25447 7275 1 18 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.813 -0.239 25447 7276 1 18 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.357 1.209 25447 7277 1 18 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.773 0.560 25447 7278 1 18 . 1 1 25 25 ASP H H 25 8.474 8.474 8.687 -0.213 25447 7279 1 18 . 1 1 26 26 VAL N N 26 121.920 121.920 120.474 1.446 25447 7280 1 18 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.000 0.108 25447 7281 1 18 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.615 0.903 25447 7282 1 18 . 1 1 26 26 VAL CB C 26 31.198 31.198 32.003 -0.805 25447 7283 1 18 . 1 1 26 26 VAL H H 26 8.591 8.591 8.586 0.005 25447 7284 1 18 . 1 1 27 27 ASP N N 27 116.286 116.286 116.904 -0.618 25447 7285 1 18 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.593 0.552 25447 7286 1 18 . 1 1 27 27 ASP CA C 27 54.181 54.181 53.133 1.048 25447 7287 1 18 . 1 1 27 27 ASP CB C 27 42.575 42.575 40.437 2.138 25447 7288 1 18 . 1 1 27 27 ASP H H 27 8.609 8.609 8.111 0.498 25447 7289 1 18 . 1 1 28 28 LEU N N 28 125.116 125.116 122.212 2.904 25447 7290 1 18 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.541 -0.530 25447 7291 1 18 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.339 1.748 25447 7292 1 18 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.116 -0.795 25447 7293 1 18 . 1 1 28 28 LEU H H 28 7.374 7.374 7.348 0.026 25447 7294 1 18 . 1 1 29 29 ASP N N 29 125.924 125.924 124.793 1.131 25447 7295 1 18 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.596 0.238 25447 7296 1 18 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.898 -0.978 25447 7297 1 18 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.210 0.169 25447 7298 1 18 . 1 1 29 29 ASP H H 29 8.699 8.699 8.613 0.086 25447 7299 1 18 . 1 1 30 30 LEU N N 30 129.975 129.975 127.090 2.885 25447 7300 1 18 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.151 -0.234 25447 7301 1 18 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.352 -0.964 25447 7302 1 18 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.466 -0.227 25447 7303 1 18 . 1 1 30 30 LEU H H 30 9.718 9.718 8.274 1.444 25447 7304 1 18 . 1 1 31 31 VAL N N 31 121.212 121.212 118.332 2.880 25447 7305 1 18 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.659 0.534 25447 7306 1 18 . 1 1 31 31 VAL CA C 31 64.433 64.433 65.923 -1.490 25447 7307 1 18 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.224 0.950 25447 7308 1 18 . 1 1 31 31 VAL H H 31 8.163 8.163 7.746 0.417 25447 7309 1 18 . 1 1 32 32 ASP N N 32 124.893 124.893 119.363 5.530 25447 7310 1 18 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.330 0.028 25447 7311 1 18 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.748 0.477 25447 7312 1 18 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.116 0.619 25447 7313 1 18 . 1 1 32 32 ASP H H 32 9.385 9.385 8.750 0.635 25447 7314 1 18 . 1 1 33 33 ASN N N 33 111.484 111.484 116.235 -4.751 25447 7315 1 18 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.554 0.166 25447 7316 1 18 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.875 0.011 25447 7317 1 18 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.135 -0.129 25447 7318 1 18 . 1 1 33 33 ASN H H 33 7.396 7.396 7.508 -0.112 25447 7319 1 18 . 1 1 34 34 GLY N N 34 106.957 106.957 105.939 1.018 25447 7320 1 18 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.650 0.957 25447 7321 1 18 . 1 1 34 34 GLY H H 34 7.618 7.618 7.918 -0.300 25447 7322 1 18 . 1 1 35 35 VAL N N 35 120.424 120.424 119.224 1.200 25447 7323 1 18 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.603 0.163 25447 7324 1 18 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.737 0.388 25447 7325 1 18 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.917 -0.038 25447 7326 1 18 . 1 1 35 35 VAL H H 35 7.792 7.792 7.637 0.155 25447 7327 1 18 . 1 1 36 36 ILE N N 36 116.364 116.364 120.370 -4.006 25447 7328 1 18 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.990 -0.253 25447 7329 1 18 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.190 -0.505 25447 7330 1 18 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.894 0.913 25447 7331 1 18 . 1 1 36 36 ILE H H 36 7.331 7.331 7.782 -0.451 25447 7332 1 18 . 1 1 37 37 ASP N N 37 127.306 127.306 127.378 -0.072 25447 7333 1 18 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.756 -0.092 25447 7334 1 18 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.838 -1.222 25447 7335 1 18 . 1 1 37 37 ASP CB C 37 41.209 41.209 42.925 -1.716 25447 7336 1 18 . 1 1 37 37 ASP H H 37 7.874 7.874 8.057 -0.183 25447 7337 1 18 . 1 1 38 38 ALA N N 38 120.352 120.352 122.738 -2.386 25447 7338 1 18 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.067 -0.072 25447 7339 1 18 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.416 0.876 25447 7340 1 18 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.617 -0.305 25447 7341 1 18 . 1 1 38 38 ALA H H 38 8.244 8.244 8.338 -0.094 25447 7342 1 18 . 1 1 39 39 LEU N N 39 117.438 117.438 119.332 -1.894 25447 7343 1 18 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.216 0.034 25447 7344 1 18 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.481 -0.126 25447 7345 1 18 . 1 1 39 39 LEU CB C 39 41.236 41.236 40.955 0.281 25447 7346 1 18 . 1 1 39 39 LEU H H 39 7.688 7.688 8.324 -0.636 25447 7347 1 18 . 1 1 40 40 GLY N N 40 112.015 112.015 107.279 4.736 25447 7348 1 18 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.156 0.943 25447 7349 1 18 . 1 1 40 40 GLY H H 40 8.732 8.732 8.250 0.482 25447 7350 1 18 . 1 1 41 41 LEU N N 41 122.983 122.983 123.262 -0.279 25447 7351 1 18 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.801 0.050 25447 7352 1 18 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.453 0.879 25447 7353 1 18 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.834 -0.195 25447 7354 1 18 . 1 1 41 41 LEU H H 41 8.548 8.548 8.261 0.287 25447 7355 1 18 . 1 1 42 42 LEU N N 42 116.076 116.076 119.890 -3.814 25447 7356 1 18 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.828 0.200 25447 7357 1 18 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.464 -0.400 25447 7358 1 18 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.758 -0.818 25447 7359 1 18 . 1 1 42 42 LEU H H 42 7.168 7.168 7.583 -0.415 25447 7360 1 18 . 1 1 43 43 LYS N N 43 119.831 119.831 119.027 0.804 25447 7361 1 18 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.027 0.257 25447 7362 1 18 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.838 -0.194 25447 7363 1 18 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.266 0.261 25447 7364 1 18 . 1 1 43 43 LYS H H 43 7.640 7.640 8.225 -0.585 25447 7365 1 18 . 1 1 44 44 VAL N N 44 121.046 121.046 120.105 0.941 25447 7366 1 18 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.015 -0.066 25447 7367 1 18 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.516 0.127 25447 7368 1 18 . 1 1 44 44 VAL H H 44 8.269 8.269 7.743 0.526 25447 7369 1 18 . 1 1 45 45 ILE N N 45 119.333 119.333 119.787 -0.454 25447 7370 1 18 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.680 -0.276 25447 7371 1 18 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.732 1.416 25447 7372 1 18 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.159 1.118 25447 7373 1 18 . 1 1 45 45 ILE H H 45 8.145 8.145 7.771 0.374 25447 7374 1 18 . 1 1 46 46 ALA N N 46 121.213 121.213 123.442 -2.229 25447 7375 1 18 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.095 0.162 25447 7376 1 18 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.218 -0.053 25447 7377 1 18 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.359 0.009 25447 7378 1 18 . 1 1 46 46 ALA H H 46 7.792 7.792 7.999 -0.207 25447 7379 1 18 . 1 1 47 47 TRP N N 47 121.416 121.416 120.325 1.091 25447 7380 1 18 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.408 -0.174 25447 7381 1 18 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.963 1.707 25447 7382 1 18 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.432 -1.193 25447 7383 1 18 . 1 1 47 47 TRP H H 47 8.093 8.093 7.909 0.184 25447 7384 1 18 . 1 1 48 48 LEU N N 48 118.963 118.963 121.086 -2.123 25447 7385 1 18 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.742 0.844 25447 7386 1 18 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.746 0.449 25447 7387 1 18 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.188 1.063 25447 7388 1 18 . 1 1 48 48 LEU H H 48 8.693 8.693 7.530 1.163 25447 7389 1 18 . 1 1 49 49 GLU N N 49 119.131 119.131 117.491 1.640 25447 7390 1 18 . 1 1 49 49 GLU HA H 49 4.050 4.050 4.003 0.047 25447 7391 1 18 . 1 1 49 49 GLU CA C 49 59.862 59.862 58.966 0.896 25447 7392 1 18 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.759 0.827 25447 7393 1 18 . 1 1 49 49 GLU H H 49 7.771 7.771 7.860 -0.089 25447 7394 1 18 . 1 1 50 50 ASP N N 50 119.941 119.941 120.890 -0.949 25447 7395 1 18 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.417 -0.180 25447 7396 1 18 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.577 0.778 25447 7397 1 18 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.938 1.445 25447 7398 1 18 . 1 1 50 50 ASP H H 50 7.697 7.697 7.576 0.121 25447 7399 1 18 . 1 1 51 51 ARG N N 51 116.911 116.911 117.514 -0.603 25447 7400 1 18 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.056 -0.320 25447 7401 1 18 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.253 -1.889 25447 7402 1 18 . 1 1 51 51 ARG CB C 51 29.315 29.315 29.640 -0.325 25447 7403 1 18 . 1 1 51 51 ARG H H 51 8.881 8.881 7.913 0.968 25447 7404 1 18 . 1 1 52 52 PHE N N 52 112.328 112.328 118.013 -5.685 25447 7405 1 18 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.588 0.087 25447 7406 1 18 . 1 1 52 52 PHE CA C 52 57.413 57.413 58.327 -0.914 25447 7407 1 18 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.309 1.583 25447 7408 1 18 . 1 1 52 52 PHE H H 52 7.284 7.284 7.561 -0.277 25447 7409 1 18 . 1 1 53 53 GLY N N 53 109.826 109.826 108.471 1.355 25447 7410 1 18 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.538 1.263 25447 7411 1 18 . 1 1 53 53 GLY H H 53 7.427 7.427 7.832 -0.405 25447 7412 1 18 . 1 1 54 54 ILE N N 54 119.127 119.127 114.704 4.423 25447 7413 1 18 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.519 -0.568 25447 7414 1 18 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.134 1.551 25447 7415 1 18 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.846 -0.355 25447 7416 1 18 . 1 1 54 54 ILE H H 54 6.876 6.876 7.539 -0.663 25447 7417 1 18 . 1 1 55 55 ALA N N 55 129.823 129.823 123.921 5.902 25447 7418 1 18 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.670 -0.256 25447 7419 1 18 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.409 1.201 25447 7420 1 18 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.102 -0.840 25447 7421 1 18 . 1 1 55 55 ALA H H 55 8.499 8.499 8.589 -0.090 25447 7422 1 18 . 1 1 56 56 ALA N N 56 126.300 126.300 127.192 -0.892 25447 7423 1 18 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.087 0.182 25447 7424 1 18 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.688 -1.214 25447 7425 1 18 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.574 0.670 25447 7426 1 18 . 1 1 56 56 ALA H H 56 8.641 8.641 9.005 -0.364 25447 7427 1 18 . 1 1 57 57 ASP N N 57 116.395 116.395 116.446 -0.051 25447 7428 1 18 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.358 0.121 25447 7429 1 18 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.546 -1.320 25447 7430 1 18 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.768 0.154 25447 7431 1 18 . 1 1 57 57 ASP H H 57 8.337 8.337 8.527 -0.190 25447 7432 1 18 . 1 1 58 58 ASP N N 58 118.557 118.557 119.407 -0.850 25447 7433 1 18 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.442 0.194 25447 7434 1 18 . 1 1 58 58 ASP CA C 58 55.144 55.144 56.041 -0.897 25447 7435 1 18 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.234 0.270 25447 7436 1 18 . 1 1 58 58 ASP H H 58 8.027 8.027 7.765 0.262 25447 7437 1 18 . 1 1 59 59 VAL N N 59 118.898 118.898 113.340 5.558 25447 7438 1 18 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.470 -0.294 25447 7439 1 18 . 1 1 59 59 VAL CA C 59 62.300 62.300 59.975 2.325 25447 7440 1 18 . 1 1 59 59 VAL CB C 59 33.078 33.078 35.301 -2.223 25447 7441 1 18 . 1 1 59 59 VAL H H 59 7.716 7.716 7.541 0.175 25447 7442 1 18 . 1 1 60 60 GLU N N 60 122.888 122.888 121.525 1.363 25447 7443 1 18 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.539 -0.255 25447 7444 1 18 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.585 0.961 25447 7445 1 18 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.487 -0.705 25447 7446 1 18 . 1 1 60 60 GLU H H 60 8.367 8.367 8.465 -0.098 25447 7447 1 18 . 1 1 61 61 LEU N N 61 124.827 124.827 125.106 -0.279 25447 7448 1 18 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.494 -0.136 25447 7449 1 18 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.394 0.422 25447 7450 1 18 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.325 -1.388 25447 7451 1 18 . 1 1 61 61 LEU H H 61 8.198 8.198 8.424 -0.226 25447 7452 1 18 . 1 1 62 62 SER N N 62 118.715 118.715 118.816 -0.101 25447 7453 1 18 . 1 1 62 62 SER HA H 62 4.809 4.809 4.977 -0.168 25447 7454 1 18 . 1 1 62 62 SER CA C 62 55.732 55.732 55.053 0.679 25447 7455 1 18 . 1 1 62 62 SER CB C 62 64.017 64.017 64.786 -0.769 25447 7456 1 18 . 1 1 62 62 SER H H 62 8.137 8.137 8.270 -0.133 25447 7457 1 18 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.354 -0.101 25447 7458 1 18 . 1 1 63 63 PRO CA C 63 64.896 64.896 64.837 0.060 25447 7459 1 18 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.731 0.321 25447 7460 1 18 . 1 1 64 64 GLU N N 64 116.554 116.554 118.746 -2.192 25447 7461 1 18 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.120 -0.247 25447 7462 1 18 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.927 -0.208 25447 7463 1 18 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.184 -0.503 25447 7464 1 18 . 1 1 64 64 GLU H H 64 8.316 8.316 8.404 -0.088 25447 7465 1 18 . 1 1 65 65 HIS N N 65 115.487 115.487 119.513 -4.026 25447 7466 1 18 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.247 0.033 25447 7467 1 18 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.363 -0.711 25447 7468 1 18 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.483 0.399 25447 7469 1 18 . 1 1 65 65 HIS H H 65 7.274 7.274 8.245 -0.971 25447 7470 1 18 . 1 1 66 66 PHE N N 66 116.127 116.127 115.506 0.621 25447 7471 1 18 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.363 0.403 25447 7472 1 18 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.654 -1.872 25447 7473 1 18 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.697 1.211 25447 7474 1 18 . 1 1 66 66 PHE H H 66 7.239 7.239 7.630 -0.391 25447 7475 1 18 . 1 1 67 67 ARG N N 67 112.468 112.468 119.231 -6.763 25447 7476 1 18 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.975 0.110 25447 7477 1 18 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.020 -0.733 25447 7478 1 18 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.489 1.271 25447 7479 1 18 . 1 1 67 67 ARG H H 67 6.628 6.628 7.732 -1.104 25447 7480 1 18 . 1 1 68 68 SER N N 68 109.305 109.305 110.405 -1.100 25447 7481 1 18 . 1 1 68 68 SER HA H 68 4.980 4.980 4.774 0.206 25447 7482 1 18 . 1 1 68 68 SER CA C 68 55.785 55.785 56.346 -0.561 25447 7483 1 18 . 1 1 68 68 SER CB C 68 67.691 67.691 65.145 2.546 25447 7484 1 18 . 1 1 68 68 SER H H 68 8.145 8.145 7.393 0.752 25447 7485 1 18 . 1 1 69 69 ILE N N 69 122.602 122.602 124.629 -2.027 25447 7486 1 18 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.740 -0.064 25447 7487 1 18 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.370 1.384 25447 7488 1 18 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.625 -0.329 25447 7489 1 18 . 1 1 69 69 ILE H H 69 9.775 9.775 9.091 0.684 25447 7490 1 18 . 1 1 70 70 ARG N N 70 118.764 118.764 119.191 -0.427 25447 7491 1 18 . 1 1 70 70 ARG HA H 70 3.955 3.955 4.018 -0.063 25447 7492 1 18 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.770 0.763 25447 7493 1 18 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.748 0.670 25447 7494 1 18 . 1 1 70 70 ARG H H 70 8.910 8.910 7.701 1.209 25447 7495 1 18 . 1 1 71 71 SER N N 71 117.670 117.670 115.388 2.282 25447 7496 1 18 . 1 1 71 71 SER HA H 71 4.330 4.330 4.267 0.063 25447 7497 1 18 . 1 1 71 71 SER CA C 71 62.287 62.287 61.204 1.083 25447 7498 1 18 . 1 1 71 71 SER CB C 71 63.278 63.278 62.755 0.523 25447 7499 1 18 . 1 1 71 71 SER H H 71 8.518 8.518 7.641 0.877 25447 7500 1 18 . 1 1 72 72 ILE N N 72 127.447 127.447 123.277 4.170 25447 7501 1 18 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.738 0.172 25447 7502 1 18 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.305 1.506 25447 7503 1 18 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.786 0.612 25447 7504 1 18 . 1 1 72 72 ILE H H 72 8.762 8.762 7.582 1.180 25447 7505 1 18 . 1 1 73 73 ASP N N 73 121.636 121.636 120.024 1.612 25447 7506 1 18 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.415 -0.402 25447 7507 1 18 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.387 1.761 25447 7508 1 18 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.717 2.824 25447 7509 1 18 . 1 1 73 73 ASP H H 73 8.677 8.677 8.345 0.332 25447 7510 1 18 . 1 1 74 74 ALA N N 74 118.793 118.793 122.111 -3.318 25447 7511 1 18 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.104 -0.060 25447 7512 1 18 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.025 0.296 25447 7513 1 18 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.355 -0.410 25447 7514 1 18 . 1 1 74 74 ALA H H 74 8.005 8.005 7.902 0.103 25447 7515 1 18 . 1 1 75 75 PHE N N 75 121.235 121.235 119.848 1.387 25447 7516 1 18 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.015 0.023 25447 7517 1 18 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.856 -0.841 25447 7518 1 18 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.291 -0.454 25447 7519 1 18 . 1 1 75 75 PHE H H 75 8.353 8.353 8.550 -0.197 25447 7520 1 18 . 1 1 76 76 VAL N N 76 120.866 120.866 119.063 1.803 25447 7521 1 18 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.376 -0.433 25447 7522 1 18 . 1 1 76 76 VAL CA C 76 66.901 66.901 67.385 -0.484 25447 7523 1 18 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.664 -0.417 25447 7524 1 18 . 1 1 76 76 VAL H H 76 8.544 8.544 8.093 0.451 25447 7525 1 18 . 1 1 77 77 VAL N N 77 121.408 121.408 119.705 1.703 25447 7526 1 18 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.664 -0.169 25447 7527 1 18 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.526 0.307 25447 7528 1 18 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.277 0.653 25447 7529 1 18 . 1 1 77 77 VAL H H 77 8.708 8.708 8.387 0.321 25447 7530 1 18 . 1 1 78 78 GLY N N 78 106.402 106.402 107.272 -0.870 25447 7531 1 18 . 1 1 78 78 GLY CA C 78 46.840 46.840 47.141 -0.301 25447 7532 1 18 . 1 1 78 78 GLY H H 78 7.945 7.945 8.623 -0.678 25447 7533 1 18 . 1 1 79 79 ALA N N 79 121.146 121.146 122.574 -1.428 25447 7534 1 18 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.947 0.260 25447 7535 1 18 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.439 -1.510 25447 7536 1 18 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.256 1.005 25447 7537 1 18 . 1 1 79 79 ALA H H 79 7.639 7.639 7.500 0.139 25447 7538 1 18 . 1 1 80 80 THR N N 80 107.668 107.668 110.503 -2.835 25447 7539 1 18 . 1 1 80 80 THR HA H 80 4.443 4.443 4.253 0.190 25447 7540 1 18 . 1 1 80 80 THR CA C 80 61.406 61.406 63.196 -1.790 25447 7541 1 18 . 1 1 80 80 THR CB C 80 70.767 70.767 69.491 1.276 25447 7542 1 18 . 1 1 80 80 THR H H 80 7.449 7.449 7.703 -0.254 25447 7543 1 18 . 1 1 81 81 THR N N 81 119.953 119.953 116.629 3.324 25447 7544 1 18 . 1 1 81 81 THR HA H 81 4.665 4.665 4.793 -0.128 25447 7545 1 18 . 1 1 81 81 THR CA C 81 60.412 60.412 59.016 1.396 25447 7546 1 18 . 1 1 81 81 THR CB C 81 70.113 70.113 69.463 0.650 25447 7547 1 18 . 1 1 81 81 THR H H 81 7.685 7.685 7.875 -0.190 25447 7548 1 18 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.627 0.062 25447 7549 1 18 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.080 -0.392 25447 7550 1 18 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.659 0.310 25447 7551 1 18 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.495 -0.014 25447 7552 1 18 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.321 0.610 25447 7553 1 18 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.619 -0.426 25447 7554 1 18 . 1 1 84 84 VAL N N 84 120.691 120.691 122.156 -1.465 25447 7555 1 18 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.220 -0.127 25447 7556 1 18 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.581 0.758 25447 7557 1 18 . 1 1 84 84 VAL CB C 84 32.851 32.851 33.674 -0.823 25447 7558 1 18 . 1 1 84 84 VAL H H 84 8.257 8.257 8.105 0.152 25447 7559 1 18 . 1 1 85 85 GLU N N 85 127.655 127.655 123.153 4.502 25447 7560 1 18 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.847 0.437 25447 7561 1 18 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.549 0.205 25447 7562 1 18 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.004 2.555 25447 7563 1 18 . 1 1 85 85 GLU H H 85 8.202 8.202 8.670 -0.468 25447 7564 1 18 . 1 1 86 86 ALA N N 86 126.437 126.437 120.847 5.590 25447 7565 1 18 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.156 -0.105 25447 7566 1 18 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.638 -0.490 25447 7567 1 18 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.825 -0.365 25447 7568 1 18 . 1 1 86 86 ALA H H 86 8.323 8.323 8.206 0.117 25447 7569 1 18 . 1 1 87 87 LYS N N 87 121.796 121.796 120.579 1.217 25447 7570 1 18 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.029 0.318 25447 7571 1 18 . 1 1 87 87 LYS CA C 87 56.297 56.297 58.092 -1.795 25447 7572 1 18 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.468 0.808 25447 7573 1 18 . 1 1 87 87 LYS H H 87 8.333 8.333 8.387 -0.054 25447 7574 1 18 . 1 1 88 88 LEU N N 88 125.576 125.576 120.892 4.684 25447 7575 1 18 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.467 -0.560 25447 7576 1 18 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.623 1.149 25447 7577 1 18 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.239 0.233 25447 7578 1 18 . 1 1 88 88 LEU H H 88 8.444 8.444 7.653 0.791 25447 7579 1 19 . 1 1 1 1 MET N N 1 120.668 120.668 122.914 -2.246 25447 7580 1 19 . 1 1 1 1 MET HA H 1 4.484 4.484 4.353 0.131 25447 7581 1 19 . 1 1 1 1 MET CA C 1 55.257 55.257 56.991 -1.734 25447 7582 1 19 . 1 1 1 1 MET CB C 1 34.517 34.517 33.245 1.272 25447 7583 1 19 . 1 1 1 1 MET H H 1 8.313 8.313 8.759 -0.446 25447 7584 1 19 . 1 1 2 2 GLN N N 2 123.739 123.739 116.053 7.686 25447 7585 1 19 . 1 1 2 2 GLN HA H 2 4.030 4.030 3.801 0.229 25447 7586 1 19 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.319 1.555 25447 7587 1 19 . 1 1 2 2 GLN CB C 2 29.938 29.938 27.080 2.858 25447 7588 1 19 . 1 1 2 2 GLN H H 2 9.455 9.455 8.084 1.371 25447 7589 1 19 . 1 1 3 3 HIS N N 3 119.115 119.115 114.731 4.384 25447 7590 1 19 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.317 0.799 25447 7591 1 19 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.375 -0.881 25447 7592 1 19 . 1 1 3 3 HIS CB C 3 31.015 31.015 27.842 3.173 25447 7593 1 19 . 1 1 3 3 HIS H H 3 9.783 9.783 8.341 1.442 25447 7594 1 19 . 1 1 4 4 ALA N N 4 122.648 122.648 122.454 0.194 25447 7595 1 19 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.145 -0.242 25447 7596 1 19 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.239 1.240 25447 7597 1 19 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.884 0.310 25447 7598 1 19 . 1 1 4 4 ALA H H 4 7.551 7.551 8.448 -0.897 25447 7599 1 19 . 1 1 5 5 SER N N 5 112.599 112.599 114.520 -1.921 25447 7600 1 19 . 1 1 5 5 SER HA H 5 4.298 4.298 4.213 0.085 25447 7601 1 19 . 1 1 5 5 SER CA C 5 62.117 62.117 62.050 0.067 25447 7602 1 19 . 1 1 5 5 SER CB C 5 62.334 62.334 62.469 -0.135 25447 7603 1 19 . 1 1 5 5 SER H H 5 8.736 8.736 8.461 0.275 25447 7604 1 19 . 1 1 6 6 VAL N N 6 122.866 122.866 122.149 0.717 25447 7605 1 19 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.769 0.336 25447 7606 1 19 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.394 -0.662 25447 7607 1 19 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.604 1.133 25447 7608 1 19 . 1 1 6 6 VAL H H 6 7.660 7.660 7.332 0.328 25447 7609 1 19 . 1 1 7 7 ILE N N 7 121.715 121.715 119.927 1.788 25447 7610 1 19 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.169 0.055 25447 7611 1 19 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.889 -0.560 25447 7612 1 19 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.539 1.154 25447 7613 1 19 . 1 1 7 7 ILE H H 7 8.519 8.519 7.608 0.911 25447 7614 1 19 . 1 1 8 8 ALA N N 8 121.373 121.373 121.349 0.024 25447 7615 1 19 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.025 -0.130 25447 7616 1 19 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.326 0.931 25447 7617 1 19 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.016 0.624 25447 7618 1 19 . 1 1 8 8 ALA H H 8 8.940 8.940 7.963 0.977 25447 7619 1 19 . 1 1 9 9 GLN N N 9 115.076 115.076 119.102 -4.026 25447 7620 1 19 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.963 -0.093 25447 7621 1 19 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.904 0.288 25447 7622 1 19 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.635 -0.497 25447 7623 1 19 . 1 1 9 9 GLN H H 9 7.729 7.729 8.034 -0.305 25447 7624 1 19 . 1 1 10 10 PHE N N 10 120.207 120.207 118.607 1.600 25447 7625 1 19 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.909 0.176 25447 7626 1 19 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.611 -0.718 25447 7627 1 19 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.372 0.560 25447 7628 1 19 . 1 1 10 10 PHE H H 10 7.301 7.301 7.877 -0.576 25447 7629 1 19 . 1 1 11 11 VAL N N 11 117.569 117.569 117.521 0.048 25447 7630 1 19 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.856 -0.549 25447 7631 1 19 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.945 0.562 25447 7632 1 19 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.528 -0.041 25447 7633 1 19 . 1 1 11 11 VAL H H 11 8.370 8.370 7.789 0.581 25447 7634 1 19 . 1 1 12 12 VAL N N 12 117.909 117.909 117.013 0.896 25447 7635 1 19 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.696 0.045 25447 7636 1 19 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.564 -0.688 25447 7637 1 19 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.551 -0.239 25447 7638 1 19 . 1 1 12 12 VAL H H 12 8.294 8.294 7.736 0.558 25447 7639 1 19 . 1 1 13 13 GLU N N 13 117.918 117.918 118.922 -1.004 25447 7640 1 19 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.889 -0.147 25447 7641 1 19 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.748 0.559 25447 7642 1 19 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.006 0.483 25447 7643 1 19 . 1 1 13 13 GLU H H 13 7.750 7.750 8.110 -0.360 25447 7644 1 19 . 1 1 14 14 GLU N N 14 113.478 113.478 117.401 -3.923 25447 7645 1 19 . 1 1 14 14 GLU HA H 14 3.778 3.778 3.851 -0.073 25447 7646 1 19 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.604 -1.804 25447 7647 1 19 . 1 1 14 14 GLU CB C 14 29.643 29.643 29.853 -0.210 25447 7648 1 19 . 1 1 14 14 GLU H H 14 7.603 7.603 7.976 -0.373 25447 7649 1 19 . 1 1 15 15 PHE N N 15 114.193 114.193 113.046 1.147 25447 7650 1 19 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.645 0.294 25447 7651 1 19 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.511 -0.416 25447 7652 1 19 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.327 -0.232 25447 7653 1 19 . 1 1 15 15 PHE H H 15 7.908 7.908 7.394 0.514 25447 7654 1 19 . 1 1 16 16 LEU N N 16 121.492 121.492 121.559 -0.067 25447 7655 1 19 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.896 0.071 25447 7656 1 19 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.326 0.051 25447 7657 1 19 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.678 1.055 25447 7658 1 19 . 1 1 16 16 LEU H H 16 8.015 8.015 8.326 -0.311 25447 7659 1 19 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.406 -0.023 25447 7660 1 19 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.959 0.899 25447 7661 1 19 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.837 -0.008 25447 7662 1 19 . 1 1 18 18 ASP N N 18 116.508 116.508 118.338 -1.830 25447 7663 1 19 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.750 -0.182 25447 7664 1 19 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.851 0.837 25447 7665 1 19 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.383 0.242 25447 7666 1 19 . 1 1 18 18 ASP H H 18 8.399 8.399 8.616 -0.217 25447 7667 1 19 . 1 1 19 19 VAL N N 19 122.135 122.135 120.800 1.335 25447 7668 1 19 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.084 0.034 25447 7669 1 19 . 1 1 19 19 VAL CA C 19 61.293 61.293 61.574 -0.281 25447 7670 1 19 . 1 1 19 19 VAL CB C 19 33.582 33.582 34.009 -0.427 25447 7671 1 19 . 1 1 19 19 VAL H H 19 7.760 7.760 7.190 0.570 25447 7672 1 19 . 1 1 20 20 ALA N N 20 129.301 129.301 130.756 -1.455 25447 7673 1 19 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.575 0.024 25447 7674 1 19 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.025 0.245 25447 7675 1 19 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.364 -0.936 25447 7676 1 19 . 1 1 20 20 ALA H H 20 8.761 8.761 8.518 0.243 25447 7677 1 19 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.175 -0.098 25447 7678 1 19 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.501 0.702 25447 7679 1 19 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.827 -0.419 25447 7680 1 19 . 1 1 22 22 ALA N N 22 116.106 116.106 118.517 -2.411 25447 7681 1 19 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.158 -0.041 25447 7682 1 19 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.084 -0.088 25447 7683 1 19 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.413 0.431 25447 7684 1 19 . 1 1 22 22 ALA H H 22 8.064 8.064 8.010 0.054 25447 7685 1 19 . 1 1 23 23 ASP N N 23 115.541 115.541 115.757 -0.216 25447 7686 1 19 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.609 0.068 25447 7687 1 19 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.640 0.696 25447 7688 1 19 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.588 0.765 25447 7689 1 19 . 1 1 23 23 ASP H H 23 8.003 8.003 8.011 -0.008 25447 7690 1 19 . 1 1 24 24 VAL N N 24 121.517 121.517 121.258 0.259 25447 7691 1 19 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.168 -0.347 25447 7692 1 19 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.191 1.154 25447 7693 1 19 . 1 1 24 24 VAL CB C 24 31.733 31.733 32.456 -0.723 25447 7694 1 19 . 1 1 24 24 VAL H H 24 7.069 7.069 7.541 -0.472 25447 7695 1 19 . 1 1 25 25 ASP N N 25 129.329 129.329 126.379 2.950 25447 7696 1 19 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.734 -0.160 25447 7697 1 19 . 1 1 25 25 ASP CA C 25 54.566 54.566 52.912 1.654 25447 7698 1 19 . 1 1 25 25 ASP CB C 25 42.333 42.333 42.274 0.059 25447 7699 1 19 . 1 1 25 25 ASP H H 25 8.474 8.474 8.671 -0.197 25447 7700 1 19 . 1 1 26 26 VAL N N 26 121.920 121.920 122.386 -0.466 25447 7701 1 19 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.111 -0.003 25447 7702 1 19 . 1 1 26 26 VAL CA C 26 64.518 64.518 62.530 1.988 25447 7703 1 19 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.227 -0.029 25447 7704 1 19 . 1 1 26 26 VAL H H 26 8.591 8.591 8.715 -0.124 25447 7705 1 19 . 1 1 27 27 ASP N N 27 116.286 116.286 118.853 -2.567 25447 7706 1 19 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.732 0.413 25447 7707 1 19 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.503 -0.322 25447 7708 1 19 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.599 0.976 25447 7709 1 19 . 1 1 27 27 ASP H H 27 8.609 8.609 8.158 0.451 25447 7710 1 19 . 1 1 28 28 LEU N N 28 125.116 125.116 121.959 3.157 25447 7711 1 19 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.455 -0.444 25447 7712 1 19 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.171 1.916 25447 7713 1 19 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.452 -1.131 25447 7714 1 19 . 1 1 28 28 LEU H H 28 7.374 7.374 7.342 0.032 25447 7715 1 19 . 1 1 29 29 ASP N N 29 125.924 125.924 123.804 2.120 25447 7716 1 19 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.589 0.245 25447 7717 1 19 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.831 -0.911 25447 7718 1 19 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.913 -0.534 25447 7719 1 19 . 1 1 29 29 ASP H H 29 8.699 8.699 8.590 0.109 25447 7720 1 19 . 1 1 30 30 LEU N N 30 129.975 129.975 128.829 1.146 25447 7721 1 19 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.139 -0.222 25447 7722 1 19 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.299 -0.911 25447 7723 1 19 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.407 -0.168 25447 7724 1 19 . 1 1 30 30 LEU H H 30 9.718 9.718 8.246 1.472 25447 7725 1 19 . 1 1 31 31 VAL N N 31 121.212 121.212 119.138 2.074 25447 7726 1 19 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.572 0.621 25447 7727 1 19 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.876 -2.443 25447 7728 1 19 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.674 0.501 25447 7729 1 19 . 1 1 31 31 VAL H H 31 8.163 8.163 7.724 0.439 25447 7730 1 19 . 1 1 32 32 ASP N N 32 124.893 124.893 119.755 5.138 25447 7731 1 19 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.367 -0.009 25447 7732 1 19 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.828 0.397 25447 7733 1 19 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.017 0.718 25447 7734 1 19 . 1 1 32 32 ASP H H 32 9.385 9.385 8.892 0.493 25447 7735 1 19 . 1 1 33 33 ASN N N 33 111.484 111.484 116.164 -4.680 25447 7736 1 19 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.558 0.162 25447 7737 1 19 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.916 -0.030 25447 7738 1 19 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.126 -0.120 25447 7739 1 19 . 1 1 33 33 ASN H H 33 7.396 7.396 7.497 -0.101 25447 7740 1 19 . 1 1 34 34 GLY N N 34 106.957 106.957 106.256 0.701 25447 7741 1 19 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.516 1.091 25447 7742 1 19 . 1 1 34 34 GLY H H 34 7.618 7.618 7.856 -0.238 25447 7743 1 19 . 1 1 35 35 VAL N N 35 120.424 120.424 118.858 1.566 25447 7744 1 19 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.618 0.148 25447 7745 1 19 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.884 0.241 25447 7746 1 19 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.765 0.114 25447 7747 1 19 . 1 1 35 35 VAL H H 35 7.792 7.792 7.669 0.123 25447 7748 1 19 . 1 1 36 36 ILE N N 36 116.364 116.364 118.792 -2.428 25447 7749 1 19 . 1 1 36 36 ILE HA H 36 3.737 3.737 4.061 -0.324 25447 7750 1 19 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.457 -0.772 25447 7751 1 19 . 1 1 36 36 ILE CB C 36 38.807 38.807 38.394 0.413 25447 7752 1 19 . 1 1 36 36 ILE H H 36 7.331 7.331 7.817 -0.486 25447 7753 1 19 . 1 1 37 37 ASP N N 37 127.306 127.306 126.189 1.117 25447 7754 1 19 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.698 -0.034 25447 7755 1 19 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.662 -1.046 25447 7756 1 19 . 1 1 37 37 ASP CB C 37 41.209 41.209 43.749 -2.540 25447 7757 1 19 . 1 1 37 37 ASP H H 37 7.874 7.874 8.132 -0.258 25447 7758 1 19 . 1 1 38 38 ALA N N 38 120.352 120.352 122.778 -2.426 25447 7759 1 19 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.127 -0.132 25447 7760 1 19 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.425 0.867 25447 7761 1 19 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.479 -0.167 25447 7762 1 19 . 1 1 38 38 ALA H H 38 8.244 8.244 8.354 -0.110 25447 7763 1 19 . 1 1 39 39 LEU N N 39 117.438 117.438 119.349 -1.911 25447 7764 1 19 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.253 -0.003 25447 7765 1 19 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.565 -0.210 25447 7766 1 19 . 1 1 39 39 LEU CB C 39 41.236 41.236 40.997 0.239 25447 7767 1 19 . 1 1 39 39 LEU H H 39 7.688 7.688 8.370 -0.682 25447 7768 1 19 . 1 1 40 40 GLY N N 40 112.015 112.015 107.356 4.659 25447 7769 1 19 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.275 0.824 25447 7770 1 19 . 1 1 40 40 GLY H H 40 8.732 8.732 8.327 0.405 25447 7771 1 19 . 1 1 41 41 LEU N N 41 122.983 122.983 123.197 -0.214 25447 7772 1 19 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.881 -0.030 25447 7773 1 19 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.440 0.892 25447 7774 1 19 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.889 -0.250 25447 7775 1 19 . 1 1 41 41 LEU H H 41 8.548 8.548 8.463 0.085 25447 7776 1 19 . 1 1 42 42 LEU N N 42 116.076 116.076 120.012 -3.936 25447 7777 1 19 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.850 0.178 25447 7778 1 19 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.511 -0.447 25447 7779 1 19 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.746 -0.806 25447 7780 1 19 . 1 1 42 42 LEU H H 42 7.168 7.168 7.659 -0.491 25447 7781 1 19 . 1 1 43 43 LYS N N 43 119.831 119.831 119.068 0.763 25447 7782 1 19 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.043 0.241 25447 7783 1 19 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.915 -0.271 25447 7784 1 19 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.318 0.209 25447 7785 1 19 . 1 1 43 43 LYS H H 43 7.640 7.640 8.244 -0.604 25447 7786 1 19 . 1 1 44 44 VAL N N 44 121.046 121.046 120.101 0.945 25447 7787 1 19 . 1 1 44 44 VAL HA H 44 3.949 3.949 3.862 0.087 25447 7788 1 19 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.359 0.284 25447 7789 1 19 . 1 1 44 44 VAL H H 44 8.269 8.269 7.738 0.531 25447 7790 1 19 . 1 1 45 45 ILE N N 45 119.333 119.333 121.328 -1.995 25447 7791 1 19 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.986 -0.582 25447 7792 1 19 . 1 1 45 45 ILE CA C 45 66.148 66.148 63.784 2.364 25447 7793 1 19 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.353 0.923 25447 7794 1 19 . 1 1 45 45 ILE H H 45 8.145 8.145 7.904 0.241 25447 7795 1 19 . 1 1 46 46 ALA N N 46 121.213 121.213 122.399 -1.186 25447 7796 1 19 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.033 0.224 25447 7797 1 19 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.307 -0.143 25447 7798 1 19 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.550 -0.182 25447 7799 1 19 . 1 1 46 46 ALA H H 46 7.792 7.792 7.914 -0.122 25447 7800 1 19 . 1 1 47 47 TRP N N 47 121.416 121.416 119.927 1.489 25447 7801 1 19 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.407 -0.173 25447 7802 1 19 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.750 1.920 25447 7803 1 19 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.259 -1.020 25447 7804 1 19 . 1 1 47 47 TRP H H 47 8.093 8.093 7.943 0.150 25447 7805 1 19 . 1 1 48 48 LEU N N 48 118.963 118.963 120.081 -1.118 25447 7806 1 19 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.903 0.683 25447 7807 1 19 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.198 0.997 25447 7808 1 19 . 1 1 48 48 LEU CB C 48 42.251 42.251 40.472 1.779 25447 7809 1 19 . 1 1 48 48 LEU H H 48 8.693 8.693 7.124 1.569 25447 7810 1 19 . 1 1 49 49 GLU N N 49 119.131 119.131 117.716 1.415 25447 7811 1 19 . 1 1 49 49 GLU HA H 49 4.050 4.050 4.035 0.015 25447 7812 1 19 . 1 1 49 49 GLU CA C 49 59.862 59.862 58.830 1.032 25447 7813 1 19 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.832 0.754 25447 7814 1 19 . 1 1 49 49 GLU H H 49 7.771 7.771 7.631 0.140 25447 7815 1 19 . 1 1 50 50 ASP N N 50 119.941 119.941 119.787 0.154 25447 7816 1 19 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.459 -0.222 25447 7817 1 19 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.567 0.788 25447 7818 1 19 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.667 1.716 25447 7819 1 19 . 1 1 50 50 ASP H H 50 7.697 7.697 7.687 0.010 25447 7820 1 19 . 1 1 51 51 ARG N N 51 116.911 116.911 119.057 -2.146 25447 7821 1 19 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.046 -0.310 25447 7822 1 19 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.196 -1.832 25447 7823 1 19 . 1 1 51 51 ARG CB C 51 29.315 29.315 29.817 -0.501 25447 7824 1 19 . 1 1 51 51 ARG H H 51 8.881 8.881 7.925 0.956 25447 7825 1 19 . 1 1 52 52 PHE N N 52 112.328 112.328 116.276 -3.948 25447 7826 1 19 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.646 0.029 25447 7827 1 19 . 1 1 52 52 PHE CA C 52 57.413 57.413 57.914 -0.501 25447 7828 1 19 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.297 1.595 25447 7829 1 19 . 1 1 52 52 PHE H H 52 7.284 7.284 7.664 -0.380 25447 7830 1 19 . 1 1 53 53 GLY N N 53 109.826 109.826 108.784 1.042 25447 7831 1 19 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.487 1.314 25447 7832 1 19 . 1 1 53 53 GLY H H 53 7.427 7.427 7.588 -0.161 25447 7833 1 19 . 1 1 54 54 ILE N N 54 119.127 119.127 114.577 4.550 25447 7834 1 19 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.536 -0.585 25447 7835 1 19 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.172 1.513 25447 7836 1 19 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.985 -0.495 25447 7837 1 19 . 1 1 54 54 ILE H H 54 6.876 6.876 7.648 -0.772 25447 7838 1 19 . 1 1 55 55 ALA N N 55 129.823 129.823 124.297 5.526 25447 7839 1 19 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.627 -0.213 25447 7840 1 19 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.578 1.032 25447 7841 1 19 . 1 1 55 55 ALA CB C 55 19.262 19.262 19.823 -0.561 25447 7842 1 19 . 1 1 55 55 ALA H H 55 8.499 8.499 8.388 0.111 25447 7843 1 19 . 1 1 56 56 ALA N N 56 126.300 126.300 127.022 -0.722 25447 7844 1 19 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.040 0.229 25447 7845 1 19 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.606 -1.132 25447 7846 1 19 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.440 0.804 25447 7847 1 19 . 1 1 56 56 ALA H H 56 8.641 8.641 8.973 -0.332 25447 7848 1 19 . 1 1 57 57 ASP N N 57 116.395 116.395 116.838 -0.443 25447 7849 1 19 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.392 0.087 25447 7850 1 19 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.302 -1.076 25447 7851 1 19 . 1 1 57 57 ASP CB C 57 40.922 40.922 39.820 1.102 25447 7852 1 19 . 1 1 57 57 ASP H H 57 8.337 8.337 8.631 -0.294 25447 7853 1 19 . 1 1 58 58 ASP N N 58 118.557 118.557 118.830 -0.273 25447 7854 1 19 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.429 0.207 25447 7855 1 19 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.920 -0.776 25447 7856 1 19 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.315 0.189 25447 7857 1 19 . 1 1 58 58 ASP H H 58 8.027 8.027 7.926 0.101 25447 7858 1 19 . 1 1 59 59 VAL N N 59 118.898 118.898 118.044 0.854 25447 7859 1 19 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.277 -0.101 25447 7860 1 19 . 1 1 59 59 VAL CA C 59 62.300 62.300 61.199 1.101 25447 7861 1 19 . 1 1 59 59 VAL CB C 59 33.078 33.078 35.197 -2.119 25447 7862 1 19 . 1 1 59 59 VAL H H 59 7.716 7.716 7.449 0.267 25447 7863 1 19 . 1 1 60 60 GLU N N 60 122.888 122.888 126.993 -4.105 25447 7864 1 19 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.512 -0.228 25447 7865 1 19 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.639 0.907 25447 7866 1 19 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.676 -0.894 25447 7867 1 19 . 1 1 60 60 GLU H H 60 8.367 8.367 8.398 -0.031 25447 7868 1 19 . 1 1 61 61 LEU N N 61 124.827 124.827 125.469 -0.642 25447 7869 1 19 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.483 -0.125 25447 7870 1 19 . 1 1 61 61 LEU CA C 61 54.816 54.816 53.991 0.825 25447 7871 1 19 . 1 1 61 61 LEU CB C 61 41.937 41.937 43.263 -1.326 25447 7872 1 19 . 1 1 61 61 LEU H H 61 8.198 8.198 8.490 -0.292 25447 7873 1 19 . 1 1 62 62 SER N N 62 118.715 118.715 118.956 -0.241 25447 7874 1 19 . 1 1 62 62 SER HA H 62 4.809 4.809 4.899 -0.090 25447 7875 1 19 . 1 1 62 62 SER CA C 62 55.732 55.732 55.989 -0.257 25447 7876 1 19 . 1 1 62 62 SER CB C 62 64.017 64.017 64.689 -0.672 25447 7877 1 19 . 1 1 62 62 SER H H 62 8.137 8.137 8.246 -0.109 25447 7878 1 19 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.307 -0.054 25447 7879 1 19 . 1 1 63 63 PRO CA C 63 64.896 64.896 64.798 0.098 25447 7880 1 19 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.722 0.330 25447 7881 1 19 . 1 1 64 64 GLU N N 64 116.554 116.554 119.194 -2.640 25447 7882 1 19 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.143 -0.270 25447 7883 1 19 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.888 -0.169 25447 7884 1 19 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.195 -0.514 25447 7885 1 19 . 1 1 64 64 GLU H H 64 8.316 8.316 8.373 -0.057 25447 7886 1 19 . 1 1 65 65 HIS N N 65 115.487 115.487 120.291 -4.804 25447 7887 1 19 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.262 0.018 25447 7888 1 19 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.373 -0.721 25447 7889 1 19 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.390 0.492 25447 7890 1 19 . 1 1 65 65 HIS H H 65 7.274 7.274 8.180 -0.906 25447 7891 1 19 . 1 1 66 66 PHE N N 66 116.127 116.127 116.486 -0.359 25447 7892 1 19 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.498 0.268 25447 7893 1 19 . 1 1 66 66 PHE CA C 66 55.782 55.782 58.455 -2.673 25447 7894 1 19 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.699 1.209 25447 7895 1 19 . 1 1 66 66 PHE H H 66 7.239 7.239 7.707 -0.468 25447 7896 1 19 . 1 1 67 67 ARG N N 67 112.468 112.468 118.227 -5.759 25447 7897 1 19 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.980 0.105 25447 7898 1 19 . 1 1 67 67 ARG CA C 67 58.287 58.287 58.786 -0.499 25447 7899 1 19 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.490 1.270 25447 7900 1 19 . 1 1 67 67 ARG H H 67 6.628 6.628 7.721 -1.093 25447 7901 1 19 . 1 1 68 68 SER N N 68 109.305 109.305 110.872 -1.567 25447 7902 1 19 . 1 1 68 68 SER HA H 68 4.980 4.980 4.792 0.188 25447 7903 1 19 . 1 1 68 68 SER CA C 68 55.785 55.785 56.526 -0.742 25447 7904 1 19 . 1 1 68 68 SER CB C 68 67.691 67.691 65.279 2.412 25447 7905 1 19 . 1 1 68 68 SER H H 68 8.145 8.145 7.297 0.848 25447 7906 1 19 . 1 1 69 69 ILE N N 69 122.602 122.602 125.099 -2.497 25447 7907 1 19 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.749 -0.073 25447 7908 1 19 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.358 1.396 25447 7909 1 19 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.499 -0.203 25447 7910 1 19 . 1 1 69 69 ILE H H 69 9.775 9.775 9.188 0.587 25447 7911 1 19 . 1 1 70 70 ARG N N 70 118.764 118.764 119.105 -0.341 25447 7912 1 19 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.938 0.017 25447 7913 1 19 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.728 0.805 25447 7914 1 19 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.291 1.127 25447 7915 1 19 . 1 1 70 70 ARG H H 70 8.910 8.910 7.912 0.998 25447 7916 1 19 . 1 1 71 71 SER N N 71 117.670 117.670 116.146 1.524 25447 7917 1 19 . 1 1 71 71 SER HA H 71 4.330 4.330 4.258 0.072 25447 7918 1 19 . 1 1 71 71 SER CA C 71 62.287 62.287 61.132 1.155 25447 7919 1 19 . 1 1 71 71 SER CB C 71 63.278 63.278 62.638 0.640 25447 7920 1 19 . 1 1 71 71 SER H H 71 8.518 8.518 7.521 0.997 25447 7921 1 19 . 1 1 72 72 ILE N N 72 127.447 127.447 123.686 3.761 25447 7922 1 19 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.686 0.224 25447 7923 1 19 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.081 1.730 25447 7924 1 19 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.492 0.906 25447 7925 1 19 . 1 1 72 72 ILE H H 72 8.762 8.762 7.302 1.460 25447 7926 1 19 . 1 1 73 73 ASP N N 73 121.636 121.636 119.995 1.641 25447 7927 1 19 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.309 -0.296 25447 7928 1 19 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.204 1.944 25447 7929 1 19 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.660 2.880 25447 7930 1 19 . 1 1 73 73 ASP H H 73 8.677 8.677 8.024 0.653 25447 7931 1 19 . 1 1 74 74 ALA N N 74 118.793 118.793 123.125 -4.332 25447 7932 1 19 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.044 -0.000 25447 7933 1 19 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.059 0.263 25447 7934 1 19 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.649 -0.704 25447 7935 1 19 . 1 1 74 74 ALA H H 74 8.005 8.005 7.659 0.346 25447 7936 1 19 . 1 1 75 75 PHE N N 75 121.235 121.235 119.647 1.588 25447 7937 1 19 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.056 -0.018 25447 7938 1 19 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.783 -0.768 25447 7939 1 19 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.388 -0.551 25447 7940 1 19 . 1 1 75 75 PHE H H 75 8.353 8.353 8.329 0.024 25447 7941 1 19 . 1 1 76 76 VAL N N 76 120.866 120.866 119.213 1.653 25447 7942 1 19 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.290 -0.347 25447 7943 1 19 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.945 -0.044 25447 7944 1 19 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.483 -0.235 25447 7945 1 19 . 1 1 76 76 VAL H H 76 8.544 8.544 8.365 0.179 25447 7946 1 19 . 1 1 77 77 VAL N N 77 121.408 121.408 119.117 2.291 25447 7947 1 19 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.575 -0.080 25447 7948 1 19 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.197 0.636 25447 7949 1 19 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.265 0.665 25447 7950 1 19 . 1 1 77 77 VAL H H 77 8.708 8.708 8.035 0.673 25447 7951 1 19 . 1 1 78 78 GLY N N 78 106.402 106.402 107.044 -0.642 25447 7952 1 19 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.999 -0.159 25447 7953 1 19 . 1 1 78 78 GLY H H 78 7.945 7.945 8.428 -0.483 25447 7954 1 19 . 1 1 79 79 ALA N N 79 121.146 121.146 122.475 -1.329 25447 7955 1 19 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.945 0.262 25447 7956 1 19 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.105 -1.176 25447 7957 1 19 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.193 1.068 25447 7958 1 19 . 1 1 79 79 ALA H H 79 7.639 7.639 7.471 0.168 25447 7959 1 19 . 1 1 80 80 THR N N 80 107.668 107.668 109.485 -1.817 25447 7960 1 19 . 1 1 80 80 THR HA H 80 4.443 4.443 4.242 0.201 25447 7961 1 19 . 1 1 80 80 THR CA C 80 61.406 61.406 63.038 -1.632 25447 7962 1 19 . 1 1 80 80 THR CB C 80 70.767 70.767 69.551 1.216 25447 7963 1 19 . 1 1 80 80 THR H H 80 7.449 7.449 7.654 -0.205 25447 7964 1 19 . 1 1 81 81 THR N N 81 119.953 119.953 116.250 3.703 25447 7965 1 19 . 1 1 81 81 THR HA H 81 4.665 4.665 4.807 -0.142 25447 7966 1 19 . 1 1 81 81 THR CA C 81 60.412 60.412 59.011 1.401 25447 7967 1 19 . 1 1 81 81 THR CB C 81 70.113 70.113 69.627 0.486 25447 7968 1 19 . 1 1 81 81 THR H H 81 7.685 7.685 7.761 -0.076 25447 7969 1 19 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.656 0.033 25447 7970 1 19 . 1 1 82 82 PRO CA C 82 61.688 61.688 61.956 -0.268 25447 7971 1 19 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.715 0.254 25447 7972 1 19 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.522 -0.041 25447 7973 1 19 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.239 0.692 25447 7974 1 19 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.656 -0.463 25447 7975 1 19 . 1 1 84 84 VAL N N 84 120.691 120.691 117.716 2.975 25447 7976 1 19 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.336 -0.243 25447 7977 1 19 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.432 0.907 25447 7978 1 19 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.875 -0.024 25447 7979 1 19 . 1 1 84 84 VAL H H 84 8.257 8.257 8.033 0.224 25447 7980 1 19 . 1 1 85 85 GLU N N 85 127.655 127.655 123.169 4.486 25447 7981 1 19 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.901 0.383 25447 7982 1 19 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.284 0.470 25447 7983 1 19 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.039 2.520 25447 7984 1 19 . 1 1 85 85 GLU H H 85 8.202 8.202 8.747 -0.545 25447 7985 1 19 . 1 1 86 86 ALA N N 86 126.437 126.437 122.029 4.408 25447 7986 1 19 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.198 -0.147 25447 7987 1 19 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.540 -0.392 25447 7988 1 19 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.555 -0.095 25447 7989 1 19 . 1 1 86 86 ALA H H 86 8.323 8.323 8.170 0.153 25447 7990 1 19 . 1 1 87 87 LYS N N 87 121.796 121.796 121.014 0.782 25447 7991 1 19 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.077 0.270 25447 7992 1 19 . 1 1 87 87 LYS CA C 87 56.297 56.297 58.173 -1.876 25447 7993 1 19 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.801 0.475 25447 7994 1 19 . 1 1 87 87 LYS H H 87 8.333 8.333 8.582 -0.249 25447 7995 1 19 . 1 1 88 88 LEU N N 88 125.576 125.576 121.027 4.549 25447 7996 1 19 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.551 -0.644 25447 7997 1 19 . 1 1 88 88 LEU CA C 88 55.772 55.772 54.145 1.627 25447 7998 1 19 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.831 -0.359 25447 7999 1 19 . 1 1 88 88 LEU H H 88 8.444 8.444 7.683 0.761 25447 8000 1 20 . 1 1 1 1 MET N N 1 120.668 120.668 121.685 -1.017 25447 8001 1 20 . 1 1 1 1 MET HA H 1 4.484 4.484 4.226 0.258 25447 8002 1 20 . 1 1 1 1 MET CA C 1 55.257 55.257 57.454 -2.197 25447 8003 1 20 . 1 1 1 1 MET CB C 1 34.517 34.517 32.324 2.193 25447 8004 1 20 . 1 1 1 1 MET H H 1 8.313 8.313 8.767 -0.454 25447 8005 1 20 . 1 1 2 2 GLN N N 2 123.739 123.739 114.900 8.839 25447 8006 1 20 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.226 -0.196 25447 8007 1 20 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.789 1.085 25447 8008 1 20 . 1 1 2 2 GLN CB C 2 29.938 29.938 28.688 1.250 25447 8009 1 20 . 1 1 2 2 GLN H H 2 9.455 9.455 8.055 1.400 25447 8010 1 20 . 1 1 3 3 HIS N N 3 119.115 119.115 119.738 -0.623 25447 8011 1 20 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.896 0.220 25447 8012 1 20 . 1 1 3 3 HIS CA C 3 55.494 55.494 55.584 -0.090 25447 8013 1 20 . 1 1 3 3 HIS CB C 3 31.015 31.015 30.016 0.999 25447 8014 1 20 . 1 1 3 3 HIS H H 3 9.783 9.783 8.227 1.556 25447 8015 1 20 . 1 1 4 4 ALA N N 4 122.648 122.648 123.675 -1.027 25447 8016 1 20 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.061 -0.158 25447 8017 1 20 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.774 0.705 25447 8018 1 20 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.261 0.933 25447 8019 1 20 . 1 1 4 4 ALA H H 4 7.551 7.551 7.994 -0.443 25447 8020 1 20 . 1 1 5 5 SER N N 5 112.599 112.599 114.496 -1.897 25447 8021 1 20 . 1 1 5 5 SER HA H 5 4.298 4.298 4.163 0.135 25447 8022 1 20 . 1 1 5 5 SER CA C 5 62.117 62.117 61.321 0.796 25447 8023 1 20 . 1 1 5 5 SER CB C 5 62.334 62.334 62.817 -0.483 25447 8024 1 20 . 1 1 5 5 SER H H 5 8.736 8.736 8.335 0.401 25447 8025 1 20 . 1 1 6 6 VAL N N 6 122.866 122.866 122.330 0.536 25447 8026 1 20 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.804 0.301 25447 8027 1 20 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.174 -0.442 25447 8028 1 20 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.665 1.072 25447 8029 1 20 . 1 1 6 6 VAL H H 6 7.660 7.660 7.741 -0.081 25447 8030 1 20 . 1 1 7 7 ILE N N 7 121.715 121.715 120.021 1.694 25447 8031 1 20 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.145 0.079 25447 8032 1 20 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.972 -0.643 25447 8033 1 20 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.496 1.197 25447 8034 1 20 . 1 1 7 7 ILE H H 7 8.519 8.519 7.621 0.898 25447 8035 1 20 . 1 1 8 8 ALA N N 8 121.373 121.373 121.801 -0.428 25447 8036 1 20 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.029 -0.134 25447 8037 1 20 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.414 0.843 25447 8038 1 20 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.053 0.587 25447 8039 1 20 . 1 1 8 8 ALA H H 8 8.940 8.940 7.916 1.024 25447 8040 1 20 . 1 1 9 9 GLN N N 9 115.076 115.076 118.726 -3.650 25447 8041 1 20 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.893 -0.023 25447 8042 1 20 . 1 1 9 9 GLN CA C 9 59.192 59.192 59.012 0.180 25447 8043 1 20 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.621 -0.483 25447 8044 1 20 . 1 1 9 9 GLN H H 9 7.729 7.729 7.834 -0.105 25447 8045 1 20 . 1 1 10 10 PHE N N 10 120.207 120.207 119.488 0.719 25447 8046 1 20 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.877 0.208 25447 8047 1 20 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.680 -0.787 25447 8048 1 20 . 1 1 10 10 PHE CB C 10 38.932 38.932 37.852 1.080 25447 8049 1 20 . 1 1 10 10 PHE H H 10 7.301 7.301 7.929 -0.628 25447 8050 1 20 . 1 1 11 11 VAL N N 11 117.569 117.569 119.695 -2.126 25447 8051 1 20 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.941 -0.634 25447 8052 1 20 . 1 1 11 11 VAL CA C 11 66.508 66.508 66.604 -0.096 25447 8053 1 20 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.607 -0.120 25447 8054 1 20 . 1 1 11 11 VAL H H 11 8.370 8.370 7.810 0.560 25447 8055 1 20 . 1 1 12 12 VAL N N 12 117.909 117.909 119.400 -1.491 25447 8056 1 20 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.669 0.072 25447 8057 1 20 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.635 -0.759 25447 8058 1 20 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.206 0.106 25447 8059 1 20 . 1 1 12 12 VAL H H 12 8.294 8.294 8.064 0.230 25447 8060 1 20 . 1 1 13 13 GLU N N 13 117.918 117.918 117.888 0.030 25447 8061 1 20 . 1 1 13 13 GLU HA H 13 3.742 3.742 4.004 -0.262 25447 8062 1 20 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.076 1.231 25447 8063 1 20 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.062 0.427 25447 8064 1 20 . 1 1 13 13 GLU H H 13 7.750 7.750 8.206 -0.456 25447 8065 1 20 . 1 1 14 14 GLU N N 14 113.478 113.478 117.932 -4.454 25447 8066 1 20 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.128 -0.350 25447 8067 1 20 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.845 -2.045 25447 8068 1 20 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.125 -0.482 25447 8069 1 20 . 1 1 14 14 GLU H H 14 7.603 7.603 8.108 -0.505 25447 8070 1 20 . 1 1 15 15 PHE N N 15 114.193 114.193 114.007 0.186 25447 8071 1 20 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.631 0.308 25447 8072 1 20 . 1 1 15 15 PHE CA C 15 58.095 58.095 58.454 -0.359 25447 8073 1 20 . 1 1 15 15 PHE CB C 15 42.095 42.095 42.231 -0.136 25447 8074 1 20 . 1 1 15 15 PHE H H 15 7.908 7.908 7.481 0.426 25447 8075 1 20 . 1 1 16 16 LEU N N 16 121.492 121.492 122.228 -0.736 25447 8076 1 20 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.833 0.134 25447 8077 1 20 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.270 0.107 25447 8078 1 20 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.506 1.227 25447 8079 1 20 . 1 1 16 16 LEU H H 16 8.015 8.015 7.882 0.133 25447 8080 1 20 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.404 -0.021 25447 8081 1 20 . 1 1 17 17 PRO CA C 17 64.858 64.858 63.965 0.893 25447 8082 1 20 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.843 -0.014 25447 8083 1 20 . 1 1 18 18 ASP N N 18 116.508 116.508 118.011 -1.503 25447 8084 1 20 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.736 -0.168 25447 8085 1 20 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.843 0.845 25447 8086 1 20 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.441 0.186 25447 8087 1 20 . 1 1 18 18 ASP H H 18 8.399 8.399 8.491 -0.092 25447 8088 1 20 . 1 1 19 19 VAL N N 19 122.135 122.135 120.636 1.499 25447 8089 1 20 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.133 -0.015 25447 8090 1 20 . 1 1 19 19 VAL CA C 19 61.293 61.293 61.193 0.100 25447 8091 1 20 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.552 0.030 25447 8092 1 20 . 1 1 19 19 VAL H H 19 7.760 7.760 7.267 0.493 25447 8093 1 20 . 1 1 20 20 ALA N N 20 129.301 129.301 130.331 -1.030 25447 8094 1 20 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.591 0.008 25447 8095 1 20 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.067 0.203 25447 8096 1 20 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.362 -0.934 25447 8097 1 20 . 1 1 20 20 ALA H H 20 8.761 8.761 8.396 0.365 25447 8098 1 20 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.171 -0.094 25447 8099 1 20 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.201 1.002 25447 8100 1 20 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.796 -0.388 25447 8101 1 20 . 1 1 22 22 ALA N N 22 116.106 116.106 118.349 -2.243 25447 8102 1 20 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.126 -0.009 25447 8103 1 20 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.157 -0.161 25447 8104 1 20 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.218 0.626 25447 8105 1 20 . 1 1 22 22 ALA H H 22 8.064 8.064 7.911 0.153 25447 8106 1 20 . 1 1 23 23 ASP N N 23 115.541 115.541 117.541 -2.000 25447 8107 1 20 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.630 0.047 25447 8108 1 20 . 1 1 23 23 ASP CA C 23 54.336 54.336 54.314 0.022 25447 8109 1 20 . 1 1 23 23 ASP CB C 23 41.353 41.353 41.402 -0.049 25447 8110 1 20 . 1 1 23 23 ASP H H 23 8.003 8.003 8.057 -0.054 25447 8111 1 20 . 1 1 24 24 VAL N N 24 121.517 121.517 120.108 1.409 25447 8112 1 20 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.182 -0.361 25447 8113 1 20 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.615 0.730 25447 8114 1 20 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.434 -1.701 25447 8115 1 20 . 1 1 24 24 VAL H H 24 7.069 7.069 7.525 -0.456 25447 8116 1 20 . 1 1 25 25 ASP N N 25 129.329 129.329 126.305 3.024 25447 8117 1 20 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.738 -0.164 25447 8118 1 20 . 1 1 25 25 ASP CA C 25 54.566 54.566 52.837 1.728 25447 8119 1 20 . 1 1 25 25 ASP CB C 25 42.333 42.333 42.051 0.282 25447 8120 1 20 . 1 1 25 25 ASP H H 25 8.474 8.474 8.669 -0.195 25447 8121 1 20 . 1 1 26 26 VAL N N 26 121.920 121.920 122.443 -0.523 25447 8122 1 20 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.093 0.015 25447 8123 1 20 . 1 1 26 26 VAL CA C 26 64.518 64.518 62.553 1.965 25447 8124 1 20 . 1 1 26 26 VAL CB C 26 31.198 31.198 30.984 0.214 25447 8125 1 20 . 1 1 26 26 VAL H H 26 8.591 8.591 8.722 -0.131 25447 8126 1 20 . 1 1 27 27 ASP N N 27 116.286 116.286 119.075 -2.789 25447 8127 1 20 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.700 0.445 25447 8128 1 20 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.919 -0.738 25447 8129 1 20 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.499 1.076 25447 8130 1 20 . 1 1 27 27 ASP H H 27 8.609 8.609 8.168 0.441 25447 8131 1 20 . 1 1 28 28 LEU N N 28 125.116 125.116 121.977 3.139 25447 8132 1 20 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.496 -0.485 25447 8133 1 20 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.195 1.892 25447 8134 1 20 . 1 1 28 28 LEU CB C 28 43.321 43.321 44.126 -0.805 25447 8135 1 20 . 1 1 28 28 LEU H H 28 7.374 7.374 7.410 -0.036 25447 8136 1 20 . 1 1 29 29 ASP N N 29 125.924 125.924 124.941 0.983 25447 8137 1 20 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.689 0.145 25447 8138 1 20 . 1 1 29 29 ASP CA C 29 53.920 53.920 55.021 -1.101 25447 8139 1 20 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.269 0.111 25447 8140 1 20 . 1 1 29 29 ASP H H 29 8.699 8.699 8.615 0.084 25447 8141 1 20 . 1 1 30 30 LEU N N 30 129.975 129.975 124.562 5.413 25447 8142 1 20 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.130 -0.213 25447 8143 1 20 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.354 -0.966 25447 8144 1 20 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.445 -0.206 25447 8145 1 20 . 1 1 30 30 LEU H H 30 9.718 9.718 8.075 1.643 25447 8146 1 20 . 1 1 31 31 VAL N N 31 121.212 121.212 117.316 3.896 25447 8147 1 20 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.646 0.547 25447 8148 1 20 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.475 -2.042 25447 8149 1 20 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.291 0.883 25447 8150 1 20 . 1 1 31 31 VAL H H 31 8.163 8.163 7.736 0.427 25447 8151 1 20 . 1 1 32 32 ASP N N 32 124.893 124.893 118.837 6.056 25447 8152 1 20 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.343 0.015 25447 8153 1 20 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.763 0.462 25447 8154 1 20 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.092 0.643 25447 8155 1 20 . 1 1 32 32 ASP H H 32 9.385 9.385 8.725 0.660 25447 8156 1 20 . 1 1 33 33 ASN N N 33 111.484 111.484 116.355 -4.871 25447 8157 1 20 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.603 0.117 25447 8158 1 20 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.693 0.194 25447 8159 1 20 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.048 -0.042 25447 8160 1 20 . 1 1 33 33 ASN H H 33 7.396 7.396 7.690 -0.294 25447 8161 1 20 . 1 1 34 34 GLY N N 34 106.957 106.957 106.310 0.647 25447 8162 1 20 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.814 0.793 25447 8163 1 20 . 1 1 34 34 GLY H H 34 7.618 7.618 7.995 -0.377 25447 8164 1 20 . 1 1 35 35 VAL N N 35 120.424 120.424 119.123 1.301 25447 8165 1 20 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.746 0.020 25447 8166 1 20 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.412 0.713 25447 8167 1 20 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.968 -0.089 25447 8168 1 20 . 1 1 35 35 VAL H H 35 7.792 7.792 7.903 -0.111 25447 8169 1 20 . 1 1 36 36 ILE N N 36 116.364 116.364 119.527 -3.163 25447 8170 1 20 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.922 -0.185 25447 8171 1 20 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.773 -1.088 25447 8172 1 20 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.742 1.065 25447 8173 1 20 . 1 1 36 36 ILE H H 36 7.331 7.331 7.874 -0.543 25447 8174 1 20 . 1 1 37 37 ASP N N 37 127.306 127.306 126.881 0.425 25447 8175 1 20 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.663 0.001 25447 8176 1 20 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.654 -1.038 25447 8177 1 20 . 1 1 37 37 ASP CB C 37 41.209 41.209 43.653 -2.443 25447 8178 1 20 . 1 1 37 37 ASP H H 37 7.874 7.874 8.007 -0.133 25447 8179 1 20 . 1 1 38 38 ALA N N 38 120.352 120.352 122.759 -2.407 25447 8180 1 20 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.157 -0.162 25447 8181 1 20 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.156 1.136 25447 8182 1 20 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.519 -0.207 25447 8183 1 20 . 1 1 38 38 ALA H H 38 8.244 8.244 8.289 -0.045 25447 8184 1 20 . 1 1 39 39 LEU N N 39 117.438 117.438 118.402 -0.964 25447 8185 1 20 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.185 0.065 25447 8186 1 20 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.048 0.307 25447 8187 1 20 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.171 0.065 25447 8188 1 20 . 1 1 39 39 LEU H H 39 7.688 7.688 8.404 -0.716 25447 8189 1 20 . 1 1 40 40 GLY N N 40 112.015 112.015 107.669 4.346 25447 8190 1 20 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.145 0.954 25447 8191 1 20 . 1 1 40 40 GLY H H 40 8.732 8.732 8.327 0.405 25447 8192 1 20 . 1 1 41 41 LEU N N 41 122.983 122.983 122.924 0.059 25447 8193 1 20 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.992 -0.141 25447 8194 1 20 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.537 0.795 25447 8195 1 20 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.957 -0.318 25447 8196 1 20 . 1 1 41 41 LEU H H 41 8.548 8.548 7.992 0.556 25447 8197 1 20 . 1 1 42 42 LEU N N 42 116.076 116.076 119.858 -3.782 25447 8198 1 20 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.931 0.097 25447 8199 1 20 . 1 1 42 42 LEU CA C 42 58.064 58.064 57.992 0.072 25447 8200 1 20 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.493 -0.553 25447 8201 1 20 . 1 1 42 42 LEU H H 42 7.168 7.168 7.628 -0.460 25447 8202 1 20 . 1 1 43 43 LYS N N 43 119.831 119.831 118.988 0.843 25447 8203 1 20 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.037 0.247 25447 8204 1 20 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.956 -0.312 25447 8205 1 20 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.271 0.256 25447 8206 1 20 . 1 1 43 43 LYS H H 43 7.640 7.640 8.277 -0.637 25447 8207 1 20 . 1 1 44 44 VAL N N 44 121.046 121.046 120.593 0.453 25447 8208 1 20 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.029 -0.080 25447 8209 1 20 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.691 -0.048 25447 8210 1 20 . 1 1 44 44 VAL H H 44 8.269 8.269 7.777 0.492 25447 8211 1 20 . 1 1 45 45 ILE N N 45 119.333 119.333 119.675 -0.342 25447 8212 1 20 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.582 -0.178 25447 8213 1 20 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.730 1.418 25447 8214 1 20 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.267 1.010 25447 8215 1 20 . 1 1 45 45 ILE H H 45 8.145 8.145 7.750 0.395 25447 8216 1 20 . 1 1 46 46 ALA N N 46 121.213 121.213 123.584 -2.371 25447 8217 1 20 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.441 -0.184 25447 8218 1 20 . 1 1 46 46 ALA CA C 46 55.164 55.164 54.804 0.360 25447 8219 1 20 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.593 -0.225 25447 8220 1 20 . 1 1 46 46 ALA H H 46 7.792 7.792 8.075 -0.283 25447 8221 1 20 . 1 1 47 47 TRP N N 47 121.416 121.416 120.079 1.337 25447 8222 1 20 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.444 -0.210 25447 8223 1 20 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.514 2.156 25447 8224 1 20 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.363 -1.124 25447 8225 1 20 . 1 1 47 47 TRP H H 47 8.093 8.093 7.973 0.120 25447 8226 1 20 . 1 1 48 48 LEU N N 48 118.963 118.963 121.189 -2.226 25447 8227 1 20 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.800 0.786 25447 8228 1 20 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.656 0.539 25447 8229 1 20 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.194 1.057 25447 8230 1 20 . 1 1 48 48 LEU H H 48 8.693 8.693 7.300 1.393 25447 8231 1 20 . 1 1 49 49 GLU N N 49 119.131 119.131 117.008 2.123 25447 8232 1 20 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.944 0.106 25447 8233 1 20 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.002 0.860 25447 8234 1 20 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.950 0.636 25447 8235 1 20 . 1 1 49 49 GLU H H 49 7.771 7.771 7.632 0.139 25447 8236 1 20 . 1 1 50 50 ASP N N 50 119.941 119.941 120.398 -0.457 25447 8237 1 20 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.397 -0.160 25447 8238 1 20 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.925 0.430 25447 8239 1 20 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.903 1.480 25447 8240 1 20 . 1 1 50 50 ASP H H 50 7.697 7.697 7.598 0.099 25447 8241 1 20 . 1 1 51 51 ARG N N 51 116.911 116.911 117.710 -0.799 25447 8242 1 20 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.029 -0.293 25447 8243 1 20 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.408 -2.044 25447 8244 1 20 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.305 -0.990 25447 8245 1 20 . 1 1 51 51 ARG H H 51 8.881 8.881 7.788 1.093 25447 8246 1 20 . 1 1 52 52 PHE N N 52 112.328 112.328 116.588 -4.260 25447 8247 1 20 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.602 0.073 25447 8248 1 20 . 1 1 52 52 PHE CA C 52 57.413 57.413 58.023 -0.610 25447 8249 1 20 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.477 1.415 25447 8250 1 20 . 1 1 52 52 PHE H H 52 7.284 7.284 7.553 -0.269 25447 8251 1 20 . 1 1 53 53 GLY N N 53 109.826 109.826 108.837 0.989 25447 8252 1 20 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.565 1.236 25447 8253 1 20 . 1 1 53 53 GLY H H 53 7.427 7.427 7.923 -0.496 25447 8254 1 20 . 1 1 54 54 ILE N N 54 119.127 119.127 115.352 3.775 25447 8255 1 20 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.504 -0.553 25447 8256 1 20 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.612 1.073 25447 8257 1 20 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.672 -0.182 25447 8258 1 20 . 1 1 54 54 ILE H H 54 6.876 6.876 7.595 -0.719 25447 8259 1 20 . 1 1 55 55 ALA N N 55 129.823 129.823 123.619 6.204 25447 8260 1 20 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.524 -0.110 25447 8261 1 20 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.565 1.045 25447 8262 1 20 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.247 -0.985 25447 8263 1 20 . 1 1 55 55 ALA H H 55 8.499 8.499 8.096 0.403 25447 8264 1 20 . 1 1 56 56 ALA N N 56 126.300 126.300 126.122 0.178 25447 8265 1 20 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.028 0.241 25447 8266 1 20 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.556 -1.082 25447 8267 1 20 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.672 0.572 25447 8268 1 20 . 1 1 56 56 ALA H H 56 8.641 8.641 8.788 -0.147 25447 8269 1 20 . 1 1 57 57 ASP N N 57 116.395 116.395 116.720 -0.325 25447 8270 1 20 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.348 0.131 25447 8271 1 20 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.064 -0.838 25447 8272 1 20 . 1 1 57 57 ASP CB C 57 40.922 40.922 39.531 1.391 25447 8273 1 20 . 1 1 57 57 ASP H H 57 8.337 8.337 8.439 -0.102 25447 8274 1 20 . 1 1 58 58 ASP N N 58 118.557 118.557 119.995 -1.438 25447 8275 1 20 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.441 0.195 25447 8276 1 20 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.833 -0.689 25447 8277 1 20 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.498 0.006 25447 8278 1 20 . 1 1 58 58 ASP H H 58 8.027 8.027 7.822 0.205 25447 8279 1 20 . 1 1 59 59 VAL N N 59 118.898 118.898 118.779 0.119 25447 8280 1 20 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.280 -0.104 25447 8281 1 20 . 1 1 59 59 VAL CA C 59 62.300 62.300 60.511 1.789 25447 8282 1 20 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.519 -1.440 25447 8283 1 20 . 1 1 59 59 VAL H H 59 7.716 7.716 7.442 0.274 25447 8284 1 20 . 1 1 60 60 GLU N N 60 122.888 122.888 126.596 -3.708 25447 8285 1 20 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.416 -0.132 25447 8286 1 20 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.812 0.734 25447 8287 1 20 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.609 -0.827 25447 8288 1 20 . 1 1 60 60 GLU H H 60 8.367 8.367 8.355 0.012 25447 8289 1 20 . 1 1 61 61 LEU N N 61 124.827 124.827 125.122 -0.295 25447 8290 1 20 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.412 -0.054 25447 8291 1 20 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.243 0.573 25447 8292 1 20 . 1 1 61 61 LEU CB C 61 41.937 41.937 42.586 -0.648 25447 8293 1 20 . 1 1 61 61 LEU H H 61 8.198 8.198 8.414 -0.216 25447 8294 1 20 . 1 1 62 62 SER N N 62 118.715 118.715 119.386 -0.671 25447 8295 1 20 . 1 1 62 62 SER HA H 62 4.809 4.809 4.940 -0.131 25447 8296 1 20 . 1 1 62 62 SER CA C 62 55.732 55.732 55.506 0.226 25447 8297 1 20 . 1 1 62 62 SER CB C 62 64.017 64.017 64.993 -0.977 25447 8298 1 20 . 1 1 62 62 SER H H 62 8.137 8.137 8.246 -0.109 25447 8299 1 20 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.283 -0.030 25447 8300 1 20 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.189 -0.293 25447 8301 1 20 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.806 0.246 25447 8302 1 20 . 1 1 64 64 GLU N N 64 116.554 116.554 119.067 -2.513 25447 8303 1 20 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.145 -0.272 25447 8304 1 20 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.849 -0.130 25447 8305 1 20 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.250 -0.569 25447 8306 1 20 . 1 1 64 64 GLU H H 64 8.316 8.316 8.492 -0.176 25447 8307 1 20 . 1 1 65 65 HIS N N 65 115.487 115.487 119.245 -3.758 25447 8308 1 20 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.158 0.122 25447 8309 1 20 . 1 1 65 65 HIS CA C 65 57.652 57.652 57.877 -0.225 25447 8310 1 20 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.394 0.488 25447 8311 1 20 . 1 1 65 65 HIS H H 65 7.274 7.274 8.289 -1.015 25447 8312 1 20 . 1 1 66 66 PHE N N 66 116.127 116.127 115.131 0.996 25447 8313 1 20 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.681 0.085 25447 8314 1 20 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.415 -1.633 25447 8315 1 20 . 1 1 66 66 PHE CB C 66 38.908 38.908 38.086 0.822 25447 8316 1 20 . 1 1 66 66 PHE H H 66 7.239 7.239 7.734 -0.495 25447 8317 1 20 . 1 1 67 67 ARG N N 67 112.468 112.468 119.674 -7.206 25447 8318 1 20 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.981 0.104 25447 8319 1 20 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.365 -1.079 25447 8320 1 20 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.445 1.315 25447 8321 1 20 . 1 1 67 67 ARG H H 67 6.628 6.628 7.864 -1.236 25447 8322 1 20 . 1 1 68 68 SER N N 68 109.305 109.305 110.172 -0.867 25447 8323 1 20 . 1 1 68 68 SER HA H 68 4.980 4.980 4.676 0.304 25447 8324 1 20 . 1 1 68 68 SER CA C 68 55.785 55.785 56.518 -0.733 25447 8325 1 20 . 1 1 68 68 SER CB C 68 67.691 67.691 65.438 2.253 25447 8326 1 20 . 1 1 68 68 SER H H 68 8.145 8.145 7.446 0.699 25447 8327 1 20 . 1 1 69 69 ILE N N 69 122.602 122.602 124.416 -1.814 25447 8328 1 20 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.825 -0.149 25447 8329 1 20 . 1 1 69 69 ILE CA C 69 66.754 66.754 64.124 2.630 25447 8330 1 20 . 1 1 69 69 ILE CB C 69 37.296 37.296 36.948 0.348 25447 8331 1 20 . 1 1 69 69 ILE H H 69 9.775 9.775 9.204 0.571 25447 8332 1 20 . 1 1 70 70 ARG N N 70 118.764 118.764 119.953 -1.189 25447 8333 1 20 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.965 -0.010 25447 8334 1 20 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.583 0.950 25447 8335 1 20 . 1 1 70 70 ARG CB C 70 30.418 30.418 28.873 1.545 25447 8336 1 20 . 1 1 70 70 ARG H H 70 8.910 8.910 7.620 1.290 25447 8337 1 20 . 1 1 71 71 SER N N 71 117.670 117.670 115.495 2.175 25447 8338 1 20 . 1 1 71 71 SER HA H 71 4.330 4.330 4.252 0.078 25447 8339 1 20 . 1 1 71 71 SER CA C 71 62.287 62.287 61.076 1.211 25447 8340 1 20 . 1 1 71 71 SER CB C 71 63.278 63.278 62.168 1.110 25447 8341 1 20 . 1 1 71 71 SER H H 71 8.518 8.518 7.981 0.537 25447 8342 1 20 . 1 1 72 72 ILE N N 72 127.447 127.447 122.743 4.704 25447 8343 1 20 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.235 0.675 25447 8344 1 20 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.677 1.134 25447 8345 1 20 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.546 0.852 25447 8346 1 20 . 1 1 72 72 ILE H H 72 8.762 8.762 7.602 1.160 25447 8347 1 20 . 1 1 73 73 ASP N N 73 121.636 121.636 120.060 1.576 25447 8348 1 20 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.367 -0.354 25447 8349 1 20 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.366 1.782 25447 8350 1 20 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.670 2.870 25447 8351 1 20 . 1 1 73 73 ASP H H 73 8.677 8.677 7.949 0.728 25447 8352 1 20 . 1 1 74 74 ALA N N 74 118.793 118.793 121.994 -3.201 25447 8353 1 20 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.087 -0.043 25447 8354 1 20 . 1 1 74 74 ALA CA C 74 55.321 55.321 54.945 0.376 25447 8355 1 20 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.341 -0.396 25447 8356 1 20 . 1 1 74 74 ALA H H 74 8.005 8.005 7.924 0.081 25447 8357 1 20 . 1 1 75 75 PHE N N 75 121.235 121.235 120.142 1.093 25447 8358 1 20 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.056 -0.018 25447 8359 1 20 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.931 -0.916 25447 8360 1 20 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.394 -0.557 25447 8361 1 20 . 1 1 75 75 PHE H H 75 8.353 8.353 8.369 -0.016 25447 8362 1 20 . 1 1 76 76 VAL N N 76 120.866 120.866 119.105 1.761 25447 8363 1 20 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.468 -0.525 25447 8364 1 20 . 1 1 76 76 VAL CA C 76 66.901 66.901 65.968 0.933 25447 8365 1 20 . 1 1 76 76 VAL CB C 76 31.247 31.247 30.982 0.265 25447 8366 1 20 . 1 1 76 76 VAL H H 76 8.544 8.544 8.208 0.336 25447 8367 1 20 . 1 1 77 77 VAL N N 77 121.408 121.408 119.871 1.537 25447 8368 1 20 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.729 -0.234 25447 8369 1 20 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.992 -0.159 25447 8370 1 20 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.195 0.735 25447 8371 1 20 . 1 1 77 77 VAL H H 77 8.708 8.708 8.612 0.096 25447 8372 1 20 . 1 1 78 78 GLY N N 78 106.402 106.402 107.246 -0.844 25447 8373 1 20 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.995 -0.155 25447 8374 1 20 . 1 1 78 78 GLY H H 78 7.945 7.945 8.537 -0.592 25447 8375 1 20 . 1 1 79 79 ALA N N 79 121.146 121.146 122.500 -1.354 25447 8376 1 20 . 1 1 79 79 ALA HA H 79 4.207 4.207 4.008 0.199 25447 8377 1 20 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.297 -1.367 25447 8378 1 20 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.416 0.845 25447 8379 1 20 . 1 1 79 79 ALA H H 79 7.639 7.639 7.577 0.062 25447 8380 1 20 . 1 1 80 80 THR N N 80 107.668 107.668 110.396 -2.728 25447 8381 1 20 . 1 1 80 80 THR HA H 80 4.443 4.443 4.244 0.199 25447 8382 1 20 . 1 1 80 80 THR CA C 80 61.406 61.406 63.383 -1.976 25447 8383 1 20 . 1 1 80 80 THR CB C 80 70.767 70.767 69.555 1.212 25447 8384 1 20 . 1 1 80 80 THR H H 80 7.449 7.449 7.747 -0.298 25447 8385 1 20 . 1 1 81 81 THR N N 81 119.953 119.953 116.132 3.821 25447 8386 1 20 . 1 1 81 81 THR HA H 81 4.665 4.665 4.797 -0.132 25447 8387 1 20 . 1 1 81 81 THR CA C 81 60.412 60.412 59.171 1.241 25447 8388 1 20 . 1 1 81 81 THR CB C 81 70.113 70.113 69.370 0.743 25447 8389 1 20 . 1 1 81 81 THR H H 81 7.685 7.685 7.995 -0.310 25447 8390 1 20 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.499 0.190 25447 8391 1 20 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.608 -0.920 25447 8392 1 20 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.738 0.231 25447 8393 1 20 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.343 0.138 25447 8394 1 20 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.921 0.010 25447 8395 1 20 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.439 -0.246 25447 8396 1 20 . 1 1 84 84 VAL N N 84 120.691 120.691 122.334 -1.643 25447 8397 1 20 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.156 -0.063 25447 8398 1 20 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.941 0.398 25447 8399 1 20 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.901 -0.050 25447 8400 1 20 . 1 1 84 84 VAL H H 84 8.257 8.257 8.099 0.158 25447 8401 1 20 . 1 1 85 85 GLU N N 85 127.655 127.655 121.871 5.784 25447 8402 1 20 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.927 0.357 25447 8403 1 20 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.839 -0.085 25447 8404 1 20 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.290 2.269 25447 8405 1 20 . 1 1 85 85 GLU H H 85 8.202 8.202 8.742 -0.540 25447 8406 1 20 . 1 1 86 86 ALA N N 86 126.437 126.437 120.918 5.519 25447 8407 1 20 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.004 0.047 25447 8408 1 20 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.881 -0.733 25447 8409 1 20 . 1 1 86 86 ALA CB C 86 19.460 19.460 18.881 0.579 25447 8410 1 20 . 1 1 86 86 ALA H H 86 8.323 8.323 7.666 0.657 25447 8411 1 20 . 1 1 87 87 LYS N N 87 121.796 121.796 120.322 1.474 25447 8412 1 20 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.222 0.125 25447 8413 1 20 . 1 1 87 87 LYS CA C 87 56.297 56.297 55.972 0.325 25447 8414 1 20 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.769 0.507 25447 8415 1 20 . 1 1 87 87 LYS H H 87 8.333 8.333 8.109 0.224 25447 8416 1 20 . 1 1 88 88 LEU N N 88 125.576 125.576 125.241 0.335 25447 8417 1 20 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.067 -0.160 25447 8418 1 20 . 1 1 88 88 LEU CA C 88 55.772 55.772 57.557 -1.785 25447 8419 1 20 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.178 0.294 25447 8420 1 20 . 1 1 88 88 LEU H H 88 8.444 8.444 8.638 -0.194 25447 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 83 3.196 -0.331 3.199 25447 2 1 1 "Average Difference" HA 92 0.274 -0.035 0.273 25447 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25447 4 1 1 "Average Difference" CA 87 1.068 -0.077 1.071 25447 5 1 1 "Average Difference" CB 84 1.082 -0.332 1.036 25447 6 1 1 "Average Difference" HN 83 0.601 -0.083 0.599 25447 7 1 2 "Average Difference" N 83 2.865 -0.144 2.878 25447 8 1 2 "Average Difference" HA 92 0.256 -0.008 0.257 25447 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25447 10 1 2 "Average Difference" CA 87 1.021 -0.199 1.007 25447 11 1 2 "Average Difference" CB 84 1.112 -0.342 1.065 25447 12 1 2 "Average Difference" HN 83 0.602 -0.112 0.595 25447 13 1 3 "Average Difference" N 83 2.538 -0.096 2.551 25447 14 1 3 "Average Difference" HA 92 0.246 0.002 0.247 25447 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25447 16 1 3 "Average Difference" CA 87 1.030 -0.196 1.017 25447 17 1 3 "Average Difference" CB 84 0.899 -0.286 0.858 25447 18 1 3 "Average Difference" HN 83 0.552 -0.065 0.552 25447 19 1 4 "Average Difference" N 83 2.782 -0.231 2.789 25447 20 1 4 "Average Difference" HA 92 0.263 -0.002 0.265 25447 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25447 22 1 4 "Average Difference" CA 87 1.078 -0.159 1.073 25447 23 1 4 "Average Difference" CB 84 0.991 -0.240 0.967 25447 24 1 4 "Average Difference" HN 83 0.551 -0.097 0.546 25447 25 1 5 "Average Difference" N 83 2.632 0.122 2.645 25447 26 1 5 "Average Difference" HA 92 0.266 0.009 0.267 25447 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25447 28 1 5 "Average Difference" CA 87 1.007 -0.079 1.010 25447 29 1 5 "Average Difference" CB 84 0.928 -0.252 0.898 25447 30 1 5 "Average Difference" HN 83 0.584 -0.061 0.585 25447 31 1 6 "Average Difference" N 83 2.641 -0.149 2.653 25447 32 1 6 "Average Difference" HA 92 0.261 -0.014 0.262 25447 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25447 34 1 6 "Average Difference" CA 87 1.052 -0.246 1.028 25447 35 1 6 "Average Difference" CB 84 1.027 -0.297 0.989 25447 36 1 6 "Average Difference" HN 83 0.542 -0.096 0.536 25447 37 1 7 "Average Difference" N 83 2.906 -0.126 2.921 25447 38 1 7 "Average Difference" HA 92 0.287 -0.016 0.288 25447 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25447 40 1 7 "Average Difference" CA 87 1.118 -0.253 1.095 25447 41 1 7 "Average Difference" CB 84 1.045 -0.271 1.016 25447 42 1 7 "Average Difference" HN 83 0.576 -0.108 0.569 25447 43 1 8 "Average Difference" N 83 2.641 -0.047 2.656 25447 44 1 8 "Average Difference" HA 92 0.254 -0.003 0.256 25447 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25447 46 1 8 "Average Difference" CA 87 1.076 -0.181 1.067 25447 47 1 8 "Average Difference" CB 84 0.904 -0.249 0.874 25447 48 1 8 "Average Difference" HN 83 0.560 -0.102 0.554 25447 49 1 9 "Average Difference" N 83 2.845 -0.275 2.849 25447 50 1 9 "Average Difference" HA 92 0.263 -0.028 0.263 25447 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25447 52 1 9 "Average Difference" CA 87 1.085 -0.177 1.076 25447 53 1 9 "Average Difference" CB 84 1.073 -0.313 1.032 25447 54 1 9 "Average Difference" HN 83 0.599 -0.105 0.593 25447 55 1 10 "Average Difference" N 83 2.989 -0.159 3.003 25447 56 1 10 "Average Difference" HA 92 0.279 -0.037 0.278 25447 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25447 58 1 10 "Average Difference" CA 87 1.098 -0.160 1.093 25447 59 1 10 "Average Difference" CB 84 1.132 -0.322 1.092 25447 60 1 10 "Average Difference" HN 83 0.616 -0.100 0.611 25447 61 1 11 "Average Difference" N 83 3.000 -0.347 2.998 25447 62 1 11 "Average Difference" HA 92 0.268 -0.015 0.269 25447 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25447 64 1 11 "Average Difference" CA 87 1.065 -0.116 1.064 25447 65 1 11 "Average Difference" CB 84 1.019 -0.276 0.987 25447 66 1 11 "Average Difference" HN 83 0.578 -0.081 0.576 25447 67 1 12 "Average Difference" N 83 3.113 -0.453 3.098 25447 68 1 12 "Average Difference" HA 92 0.263 -0.035 0.262 25447 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25447 70 1 12 "Average Difference" CA 87 1.059 -0.144 1.055 25447 71 1 12 "Average Difference" CB 84 1.078 -0.338 1.030 25447 72 1 12 "Average Difference" HN 83 0.617 -0.142 0.604 25447 73 1 13 "Average Difference" N 83 2.996 -0.259 3.003 25447 74 1 13 "Average Difference" HA 92 0.255 -0.020 0.256 25447 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25447 76 1 13 "Average Difference" CA 87 1.040 -0.188 1.029 25447 77 1 13 "Average Difference" CB 84 1.078 -0.290 1.044 25447 78 1 13 "Average Difference" HN 83 0.554 -0.108 0.547 25447 79 1 14 "Average Difference" N 83 2.820 -0.220 2.828 25447 80 1 14 "Average Difference" HA 92 0.258 -0.012 0.259 25447 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25447 82 1 14 "Average Difference" CA 87 0.964 -0.152 0.958 25447 83 1 14 "Average Difference" CB 84 0.971 -0.251 0.944 25447 84 1 14 "Average Difference" HN 83 0.555 -0.123 0.544 25447 85 1 15 "Average Difference" N 83 3.224 -0.347 3.224 25447 86 1 15 "Average Difference" HA 92 0.263 -0.009 0.264 25447 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25447 88 1 15 "Average Difference" CA 87 1.074 -0.122 1.074 25447 89 1 15 "Average Difference" CB 84 1.021 -0.322 0.975 25447 90 1 15 "Average Difference" HN 83 0.606 -0.095 0.602 25447 91 1 16 "Average Difference" N 83 2.680 0.039 2.696 25447 92 1 16 "Average Difference" HA 92 0.272 -0.029 0.272 25447 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25447 94 1 16 "Average Difference" CA 87 1.067 -0.109 1.067 25447 95 1 16 "Average Difference" CB 84 0.969 -0.320 0.920 25447 96 1 16 "Average Difference" HN 83 0.605 -0.086 0.603 25447 97 1 17 "Average Difference" N 83 3.180 -0.322 3.183 25447 98 1 17 "Average Difference" HA 92 0.285 -0.043 0.283 25447 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25447 100 1 17 "Average Difference" CA 87 1.008 -0.159 1.001 25447 101 1 17 "Average Difference" CB 84 1.072 -0.318 1.030 25447 102 1 17 "Average Difference" HN 83 0.634 -0.125 0.626 25447 103 1 18 "Average Difference" N 83 2.743 -0.168 2.755 25447 104 1 18 "Average Difference" HA 92 0.270 0.049 0.267 25447 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25447 106 1 18 "Average Difference" CA 87 0.994 -0.147 0.989 25447 107 1 18 "Average Difference" CB 84 0.938 -0.245 0.911 25447 108 1 18 "Average Difference" HN 83 0.538 -0.096 0.533 25447 109 1 19 "Average Difference" N 83 2.678 -0.171 2.689 25447 110 1 19 "Average Difference" HA 92 0.264 0.030 0.264 25447 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25447 112 1 19 "Average Difference" CA 87 1.088 -0.167 1.081 25447 113 1 19 "Average Difference" CB 84 1.043 -0.284 1.010 25447 114 1 19 "Average Difference" HN 83 0.586 -0.117 0.578 25447 115 1 20 "Average Difference" N 83 2.811 -0.051 2.828 25447 116 1 20 "Average Difference" HA 92 0.240 -0.010 0.241 25447 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25447 118 1 20 "Average Difference" CA 87 1.060 -0.125 1.059 25447 119 1 20 "Average Difference" CB 84 0.957 -0.296 0.915 25447 120 1 20 "Average Difference" HN 83 0.585 -0.107 0.579 25447 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 25447 _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 1 1 MET N N 1 120.668 120.668 118.279 2.389 25447 2 1 . 1 1 1 1 MET HA H 1 4.484 4.484 4.399 0.085 25447 3 1 . 1 1 1 1 MET CA C 1 55.257 55.257 56.026 -0.769 25447 4 1 . 1 1 1 1 MET CB C 1 34.517 34.517 33.112 1.405 25447 5 1 . 1 1 1 1 MET H H 1 8.313 8.313 8.075 0.238 25447 6 1 . 1 1 2 2 GLN N N 2 123.739 123.739 116.915 6.824 25447 7 1 . 1 1 2 2 GLN HA H 2 4.030 4.030 4.020 0.010 25447 8 1 . 1 1 2 2 GLN CA C 2 57.874 57.874 56.100 1.774 25447 9 1 . 1 1 2 2 GLN CB C 2 29.938 29.938 27.967 1.971 25447 10 1 . 1 1 2 2 GLN H H 2 9.455 9.455 8.143 1.312 25447 11 1 . 1 1 3 3 HIS N N 3 119.115 119.115 115.248 3.867 25447 12 1 . 1 1 3 3 HIS HA H 3 5.116 5.116 4.373 0.743 25447 13 1 . 1 1 3 3 HIS CA C 3 55.494 55.494 56.382 -0.888 25447 14 1 . 1 1 3 3 HIS CB C 3 31.015 31.015 28.133 2.882 25447 15 1 . 1 1 3 3 HIS H H 3 9.783 9.783 8.408 1.375 25447 16 1 . 1 1 4 4 ALA N N 4 122.648 122.648 122.507 0.141 25447 17 1 . 1 1 4 4 ALA HA H 4 3.903 3.903 4.105 -0.202 25447 18 1 . 1 1 4 4 ALA CA C 4 56.479 56.479 55.251 1.228 25447 19 1 . 1 1 4 4 ALA CB C 4 19.194 19.194 18.835 0.359 25447 20 1 . 1 1 4 4 ALA H H 4 7.551 7.551 8.246 -0.695 25447 21 1 . 1 1 5 5 SER N N 5 112.599 112.599 114.003 -1.404 25447 22 1 . 1 1 5 5 SER HA H 5 4.298 4.298 4.224 0.074 25447 23 1 . 1 1 5 5 SER CA C 5 62.117 62.117 61.517 0.600 25447 24 1 . 1 1 5 5 SER CB C 5 62.334 62.334 62.495 -0.162 25447 25 1 . 1 1 5 5 SER H H 5 8.736 8.736 8.418 0.318 25447 26 1 . 1 1 6 6 VAL N N 6 122.866 122.866 122.529 0.337 25447 27 1 . 1 1 6 6 VAL HA H 6 4.105 4.105 3.792 0.313 25447 28 1 . 1 1 6 6 VAL CA C 6 65.732 65.732 66.234 -0.502 25447 29 1 . 1 1 6 6 VAL CB C 6 32.737 32.737 31.619 1.118 25447 30 1 . 1 1 6 6 VAL H H 6 7.660 7.660 7.624 0.036 25447 31 1 . 1 1 7 7 ILE N N 7 121.715 121.715 120.110 1.605 25447 32 1 . 1 1 7 7 ILE HA H 7 4.224 4.224 4.042 0.182 25447 33 1 . 1 1 7 7 ILE CA C 7 65.329 65.329 65.912 -0.584 25447 34 1 . 1 1 7 7 ILE CB C 7 38.693 38.693 37.543 1.150 25447 35 1 . 1 1 7 7 ILE H H 7 8.519 8.519 7.720 0.799 25447 36 1 . 1 1 8 8 ALA N N 8 121.373 121.373 121.468 -0.095 25447 37 1 . 1 1 8 8 ALA HA H 8 3.895 3.895 4.005 -0.110 25447 38 1 . 1 1 8 8 ALA CA C 8 56.257 56.257 55.357 0.900 25447 39 1 . 1 1 8 8 ALA CB C 8 18.640 18.640 18.058 0.582 25447 40 1 . 1 1 8 8 ALA H H 8 8.940 8.940 8.004 0.936 25447 41 1 . 1 1 9 9 GLN N N 9 115.076 115.076 119.011 -3.935 25447 42 1 . 1 1 9 9 GLN HA H 9 3.870 3.870 3.961 -0.091 25447 43 1 . 1 1 9 9 GLN CA C 9 59.192 59.192 58.940 0.252 25447 44 1 . 1 1 9 9 GLN CB C 9 28.138 28.138 28.723 -0.585 25447 45 1 . 1 1 9 9 GLN H H 9 7.729 7.729 8.084 -0.355 25447 46 1 . 1 1 10 10 PHE N N 10 120.207 120.207 119.389 0.818 25447 47 1 . 1 1 10 10 PHE HA H 10 4.085 4.085 3.987 0.098 25447 48 1 . 1 1 10 10 PHE CA C 10 60.893 60.893 61.269 -0.376 25447 49 1 . 1 1 10 10 PHE CB C 10 38.932 38.932 38.329 0.603 25447 50 1 . 1 1 10 10 PHE H H 10 7.301 7.301 8.131 -0.830 25447 51 1 . 1 1 11 11 VAL N N 11 117.569 117.569 118.737 -1.168 25447 52 1 . 1 1 11 11 VAL HA H 11 3.307 3.307 3.597 -0.290 25447 53 1 . 1 1 11 11 VAL CA C 11 66.508 66.508 65.736 0.771 25447 54 1 . 1 1 11 11 VAL CB C 11 31.487 31.487 31.534 -0.047 25447 55 1 . 1 1 11 11 VAL H H 11 8.370 8.370 7.858 0.512 25447 56 1 . 1 1 12 12 VAL N N 12 117.909 117.909 119.782 -1.873 25447 57 1 . 1 1 12 12 VAL HA H 12 3.741 3.741 3.608 0.133 25447 58 1 . 1 1 12 12 VAL CA C 12 65.876 65.876 66.766 -0.890 25447 59 1 . 1 1 12 12 VAL CB C 12 31.312 31.312 31.440 -0.128 25447 60 1 . 1 1 12 12 VAL H H 12 8.294 8.294 7.941 0.353 25447 61 1 . 1 1 13 13 GLU N N 13 117.918 117.918 118.743 -0.825 25447 62 1 . 1 1 13 13 GLU HA H 13 3.742 3.742 3.980 -0.238 25447 63 1 . 1 1 13 13 GLU CA C 13 59.307 59.307 58.660 0.647 25447 64 1 . 1 1 13 13 GLU CB C 13 29.489 29.489 29.220 0.269 25447 65 1 . 1 1 13 13 GLU H H 13 7.750 7.750 8.061 -0.311 25447 66 1 . 1 1 14 14 GLU N N 14 113.478 113.478 117.988 -4.510 25447 67 1 . 1 1 14 14 GLU HA H 14 3.778 3.778 4.046 -0.268 25447 68 1 . 1 1 14 14 GLU CA C 14 56.800 56.800 58.720 -1.920 25447 69 1 . 1 1 14 14 GLU CB C 14 29.643 29.643 30.015 -0.372 25447 70 1 . 1 1 14 14 GLU H H 14 7.603 7.603 7.944 -0.340 25447 71 1 . 1 1 15 15 PHE N N 15 114.193 114.193 115.265 -1.072 25447 72 1 . 1 1 15 15 PHE HA H 15 4.939 4.939 4.583 0.356 25447 73 1 . 1 1 15 15 PHE CA C 15 58.095 58.095 59.001 -0.906 25447 74 1 . 1 1 15 15 PHE CB C 15 42.095 42.095 41.883 0.212 25447 75 1 . 1 1 15 15 PHE H H 15 7.908 7.908 7.566 0.342 25447 76 1 . 1 1 16 16 LEU N N 16 121.492 121.492 121.415 0.077 25447 77 1 . 1 1 16 16 LEU HA H 16 4.967 4.967 4.806 0.161 25447 78 1 . 1 1 16 16 LEU CA C 16 52.377 52.377 52.201 0.176 25447 79 1 . 1 1 16 16 LEU CB C 16 44.733 44.733 43.389 1.344 25447 80 1 . 1 1 16 16 LEU H H 16 8.015 8.015 8.141 -0.126 25447 81 1 . 1 1 17 17 PRO HA H 17 4.383 4.383 4.407 -0.024 25447 82 1 . 1 1 17 17 PRO CA C 17 64.858 64.858 64.027 0.831 25447 83 1 . 1 1 17 17 PRO CB C 17 31.829 31.829 31.814 0.015 25447 84 1 . 1 1 18 18 ASP N N 18 116.508 116.508 118.148 -1.640 25447 85 1 . 1 1 18 18 ASP HA H 18 4.568 4.568 4.685 -0.117 25447 86 1 . 1 1 18 18 ASP CA C 18 54.688 54.688 53.827 0.861 25447 87 1 . 1 1 18 18 ASP CB C 18 40.626 40.626 40.501 0.124 25447 88 1 . 1 1 18 18 ASP H H 18 8.399 8.399 8.565 -0.165 25447 89 1 . 1 1 19 19 VAL N N 19 122.135 122.135 120.684 1.451 25447 90 1 . 1 1 19 19 VAL HA H 19 4.118 4.118 4.145 -0.027 25447 91 1 . 1 1 19 19 VAL CA C 19 61.293 61.293 60.831 0.462 25447 92 1 . 1 1 19 19 VAL CB C 19 33.582 33.582 33.716 -0.134 25447 93 1 . 1 1 19 19 VAL H H 19 7.760 7.760 7.255 0.505 25447 94 1 . 1 1 20 20 ALA N N 20 129.301 129.301 130.561 -1.260 25447 95 1 . 1 1 20 20 ALA HA H 20 4.599 4.599 4.547 0.052 25447 96 1 . 1 1 20 20 ALA CA C 20 50.270 50.270 50.130 0.140 25447 97 1 . 1 1 20 20 ALA CB C 20 17.428 17.428 18.326 -0.898 25447 98 1 . 1 1 20 20 ALA H H 20 8.761 8.761 8.426 0.335 25447 99 1 . 1 1 21 21 PRO HA H 21 4.077 4.077 4.157 -0.080 25447 100 1 . 1 1 21 21 PRO CA C 21 66.203 66.203 65.476 0.727 25447 101 1 . 1 1 21 21 PRO CB C 21 31.408 31.408 31.791 -0.383 25447 102 1 . 1 1 22 22 ALA N N 22 116.106 116.106 118.026 -1.920 25447 103 1 . 1 1 22 22 ALA HA H 22 4.117 4.117 4.136 -0.019 25447 104 1 . 1 1 22 22 ALA CA C 22 53.996 53.996 54.061 -0.065 25447 105 1 . 1 1 22 22 ALA CB C 22 18.844 18.844 18.284 0.560 25447 106 1 . 1 1 22 22 ALA H H 22 8.064 8.064 7.998 0.066 25447 107 1 . 1 1 23 23 ASP N N 23 115.541 115.541 117.047 -1.506 25447 108 1 . 1 1 23 23 ASP HA H 23 4.677 4.677 4.619 0.058 25447 109 1 . 1 1 23 23 ASP CA C 23 54.336 54.336 53.969 0.367 25447 110 1 . 1 1 23 23 ASP CB C 23 41.353 41.353 40.795 0.558 25447 111 1 . 1 1 23 23 ASP H H 23 8.003 8.003 8.111 -0.108 25447 112 1 . 1 1 24 24 VAL N N 24 121.517 121.517 120.837 0.680 25447 113 1 . 1 1 24 24 VAL HA H 24 3.821 3.821 4.160 -0.339 25447 114 1 . 1 1 24 24 VAL CA C 24 62.345 62.345 61.480 0.865 25447 115 1 . 1 1 24 24 VAL CB C 24 31.733 31.733 33.046 -1.313 25447 116 1 . 1 1 24 24 VAL H H 24 7.069 7.069 7.478 -0.409 25447 117 1 . 1 1 25 25 ASP N N 25 129.329 129.329 126.938 2.391 25447 118 1 . 1 1 25 25 ASP HA H 25 4.574 4.574 4.786 -0.212 25447 119 1 . 1 1 25 25 ASP CA C 25 54.566 54.566 53.180 1.386 25447 120 1 . 1 1 25 25 ASP CB C 25 42.333 42.333 41.865 0.468 25447 121 1 . 1 1 25 25 ASP H H 25 8.474 8.474 8.688 -0.214 25447 122 1 . 1 1 26 26 VAL N N 26 121.920 121.920 121.892 0.028 25447 123 1 . 1 1 26 26 VAL HA H 26 4.108 4.108 4.025 0.083 25447 124 1 . 1 1 26 26 VAL CA C 26 64.518 64.518 63.271 1.247 25447 125 1 . 1 1 26 26 VAL CB C 26 31.198 31.198 31.767 -0.569 25447 126 1 . 1 1 26 26 VAL H H 26 8.591 8.591 8.641 -0.050 25447 127 1 . 1 1 27 27 ASP N N 27 116.286 116.286 118.718 -2.432 25447 128 1 . 1 1 27 27 ASP HA H 27 5.145 5.145 4.666 0.479 25447 129 1 . 1 1 27 27 ASP CA C 27 54.181 54.181 54.788 -0.607 25447 130 1 . 1 1 27 27 ASP CB C 27 42.575 42.575 41.019 1.556 25447 131 1 . 1 1 27 27 ASP H H 27 8.609 8.609 8.129 0.480 25447 132 1 . 1 1 28 28 LEU N N 28 125.116 125.116 122.144 2.972 25447 133 1 . 1 1 28 28 LEU HA H 28 4.011 4.011 4.487 -0.476 25447 134 1 . 1 1 28 28 LEU CA C 28 56.087 56.087 54.325 1.762 25447 135 1 . 1 1 28 28 LEU CB C 28 43.321 43.321 43.950 -0.629 25447 136 1 . 1 1 28 28 LEU H H 28 7.374 7.374 7.374 -0.000 25447 137 1 . 1 1 29 29 ASP N N 29 125.924 125.924 124.656 1.268 25447 138 1 . 1 1 29 29 ASP HA H 29 4.834 4.834 4.635 0.199 25447 139 1 . 1 1 29 29 ASP CA C 29 53.920 53.920 54.933 -1.013 25447 140 1 . 1 1 29 29 ASP CB C 29 41.379 41.379 41.351 0.028 25447 141 1 . 1 1 29 29 ASP H H 29 8.699 8.699 8.608 0.091 25447 142 1 . 1 1 30 30 LEU N N 30 129.975 129.975 125.123 4.852 25447 143 1 . 1 1 30 30 LEU HA H 30 3.917 3.917 4.134 -0.217 25447 144 1 . 1 1 30 30 LEU CA C 30 56.388 56.388 57.387 -0.999 25447 145 1 . 1 1 30 30 LEU CB C 30 42.239 42.239 42.397 -0.158 25447 146 1 . 1 1 30 30 LEU H H 30 9.718 9.718 8.260 1.458 25447 147 1 . 1 1 31 31 VAL N N 31 121.212 121.212 117.422 3.790 25447 148 1 . 1 1 31 31 VAL HA H 31 4.193 4.193 3.619 0.574 25447 149 1 . 1 1 31 31 VAL CA C 31 64.433 64.433 66.318 -1.885 25447 150 1 . 1 1 31 31 VAL CB C 31 32.175 32.175 31.324 0.851 25447 151 1 . 1 1 31 31 VAL H H 31 8.163 8.163 7.579 0.584 25447 152 1 . 1 1 32 32 ASP N N 32 124.893 124.893 118.941 5.952 25447 153 1 . 1 1 32 32 ASP HA H 32 4.358 4.358 4.337 0.022 25447 154 1 . 1 1 32 32 ASP CA C 32 57.225 57.225 56.712 0.513 25447 155 1 . 1 1 32 32 ASP CB C 32 40.735 40.735 40.191 0.544 25447 156 1 . 1 1 32 32 ASP H H 32 9.385 9.385 8.710 0.675 25447 157 1 . 1 1 33 33 ASN N N 33 111.484 111.484 116.378 -4.894 25447 158 1 . 1 1 33 33 ASN HA H 33 4.720 4.720 4.579 0.141 25447 159 1 . 1 1 33 33 ASN CA C 33 53.886 53.886 53.721 0.165 25447 160 1 . 1 1 33 33 ASN CB C 33 39.006 39.006 39.076 -0.070 25447 161 1 . 1 1 33 33 ASN H H 33 7.396 7.396 7.603 -0.207 25447 162 1 . 1 1 34 34 GLY N N 34 106.957 106.957 106.129 0.828 25447 163 1 . 1 1 34 34 GLY CA C 34 46.607 46.607 45.689 0.918 25447 164 1 . 1 1 34 34 GLY H H 34 7.618 7.618 7.950 -0.332 25447 165 1 . 1 1 35 35 VAL N N 35 120.424 120.424 118.694 1.730 25447 166 1 . 1 1 35 35 VAL HA H 35 3.766 3.766 3.456 0.310 25447 167 1 . 1 1 35 35 VAL CA C 35 65.125 65.125 64.722 0.403 25447 168 1 . 1 1 35 35 VAL CB C 35 31.879 31.879 31.901 -0.022 25447 169 1 . 1 1 35 35 VAL H H 35 7.792 7.792 7.724 0.069 25447 170 1 . 1 1 36 36 ILE N N 36 116.364 116.364 119.792 -3.428 25447 171 1 . 1 1 36 36 ILE HA H 36 3.737 3.737 3.905 -0.168 25447 172 1 . 1 1 36 36 ILE CA C 36 60.685 60.685 61.552 -0.867 25447 173 1 . 1 1 36 36 ILE CB C 36 38.807 38.807 37.743 1.064 25447 174 1 . 1 1 36 36 ILE H H 36 7.331 7.331 7.768 -0.437 25447 175 1 . 1 1 37 37 ASP N N 37 127.306 127.306 127.211 0.095 25447 176 1 . 1 1 37 37 ASP HA H 37 4.664 4.664 4.725 -0.061 25447 177 1 . 1 1 37 37 ASP CA C 37 51.616 51.616 52.800 -1.184 25447 178 1 . 1 1 37 37 ASP CB C 37 41.209 41.209 43.071 -1.862 25447 179 1 . 1 1 37 37 ASP H H 37 7.874 7.874 7.978 -0.104 25447 180 1 . 1 1 38 38 ALA N N 38 120.352 120.352 122.908 -2.556 25447 181 1 . 1 1 38 38 ALA HA H 38 3.995 3.995 4.101 -0.106 25447 182 1 . 1 1 38 38 ALA CA C 38 56.292 56.292 55.339 0.953 25447 183 1 . 1 1 38 38 ALA CB C 38 18.312 18.312 18.575 -0.263 25447 184 1 . 1 1 38 38 ALA H H 38 8.244 8.244 8.341 -0.097 25447 185 1 . 1 1 39 39 LEU N N 39 117.438 117.438 118.818 -1.380 25447 186 1 . 1 1 39 39 LEU HA H 39 4.250 4.250 4.207 0.043 25447 187 1 . 1 1 39 39 LEU CA C 39 57.355 57.355 57.283 0.072 25447 188 1 . 1 1 39 39 LEU CB C 39 41.236 41.236 41.050 0.186 25447 189 1 . 1 1 39 39 LEU H H 39 7.688 7.688 8.392 -0.704 25447 190 1 . 1 1 40 40 GLY N N 40 112.015 112.015 107.669 4.346 25447 191 1 . 1 1 40 40 GLY CA C 40 48.099 48.099 47.209 0.890 25447 192 1 . 1 1 40 40 GLY H H 40 8.732 8.732 8.285 0.447 25447 193 1 . 1 1 41 41 LEU N N 41 122.983 122.983 123.224 -0.241 25447 194 1 . 1 1 41 41 LEU HA H 41 3.851 3.851 3.976 -0.125 25447 195 1 . 1 1 41 41 LEU CA C 41 58.332 58.332 57.539 0.793 25447 196 1 . 1 1 41 41 LEU CB C 41 41.639 41.639 41.892 -0.253 25447 197 1 . 1 1 41 41 LEU H H 41 8.548 8.548 8.240 0.308 25447 198 1 . 1 1 42 42 LEU N N 42 116.076 116.076 120.002 -3.926 25447 199 1 . 1 1 42 42 LEU HA H 42 4.028 4.028 3.890 0.138 25447 200 1 . 1 1 42 42 LEU CA C 42 58.064 58.064 58.409 -0.345 25447 201 1 . 1 1 42 42 LEU CB C 42 40.940 40.940 41.737 -0.797 25447 202 1 . 1 1 42 42 LEU H H 42 7.168 7.168 7.641 -0.473 25447 203 1 . 1 1 43 43 LYS N N 43 119.831 119.831 119.002 0.829 25447 204 1 . 1 1 43 43 LYS HA H 43 4.284 4.284 4.040 0.244 25447 205 1 . 1 1 43 43 LYS CA C 43 59.644 59.644 59.980 -0.336 25447 206 1 . 1 1 43 43 LYS CB C 43 32.527 32.527 32.316 0.211 25447 207 1 . 1 1 43 43 LYS H H 43 7.640 7.640 8.284 -0.644 25447 208 1 . 1 1 44 44 VAL N N 44 121.046 121.046 120.391 0.655 25447 209 1 . 1 1 44 44 VAL HA H 44 3.949 3.949 4.020 -0.071 25447 210 1 . 1 1 44 44 VAL CB C 44 31.643 31.643 31.716 -0.073 25447 211 1 . 1 1 44 44 VAL H H 44 8.269 8.269 7.828 0.441 25447 212 1 . 1 1 45 45 ILE N N 45 119.333 119.333 119.731 -0.398 25447 213 1 . 1 1 45 45 ILE HA H 45 3.404 3.404 3.658 -0.254 25447 214 1 . 1 1 45 45 ILE CA C 45 66.148 66.148 64.150 1.998 25447 215 1 . 1 1 45 45 ILE CB C 45 38.277 38.277 37.115 1.162 25447 216 1 . 1 1 45 45 ILE H H 45 8.145 8.145 7.756 0.389 25447 217 1 . 1 1 46 46 ALA N N 46 121.213 121.213 123.384 -2.171 25447 218 1 . 1 1 46 46 ALA HA H 46 4.257 4.257 4.222 0.035 25447 219 1 . 1 1 46 46 ALA CA C 46 55.164 55.164 55.101 0.063 25447 220 1 . 1 1 46 46 ALA CB C 46 18.368 18.368 18.489 -0.121 25447 221 1 . 1 1 46 46 ALA H H 46 7.792 7.792 8.062 -0.271 25447 222 1 . 1 1 47 47 TRP N N 47 121.416 121.416 120.149 1.267 25447 223 1 . 1 1 47 47 TRP HA H 47 4.234 4.234 4.462 -0.228 25447 224 1 . 1 1 47 47 TRP CA C 47 61.670 61.670 59.701 1.969 25447 225 1 . 1 1 47 47 TRP CB C 47 28.239 28.239 29.443 -1.204 25447 226 1 . 1 1 47 47 TRP H H 47 8.093 8.093 8.002 0.091 25447 227 1 . 1 1 48 48 LEU N N 48 118.963 118.963 121.035 -2.072 25447 228 1 . 1 1 48 48 LEU HA H 48 3.586 3.586 2.852 0.734 25447 229 1 . 1 1 48 48 LEU CA C 48 58.195 58.195 57.627 0.568 25447 230 1 . 1 1 48 48 LEU CB C 48 42.251 42.251 41.117 1.134 25447 231 1 . 1 1 48 48 LEU H H 48 8.693 8.693 7.396 1.297 25447 232 1 . 1 1 49 49 GLU N N 49 119.131 119.131 117.412 1.719 25447 233 1 . 1 1 49 49 GLU HA H 49 4.050 4.050 3.983 0.067 25447 234 1 . 1 1 49 49 GLU CA C 49 59.862 59.862 59.005 0.857 25447 235 1 . 1 1 49 49 GLU CB C 49 29.586 29.586 28.844 0.742 25447 236 1 . 1 1 49 49 GLU H H 49 7.771 7.771 7.757 0.014 25447 237 1 . 1 1 50 50 ASP N N 50 119.941 119.941 120.564 -0.623 25447 238 1 . 1 1 50 50 ASP HA H 50 4.237 4.237 4.427 -0.190 25447 239 1 . 1 1 50 50 ASP CA C 50 57.355 57.355 56.572 0.783 25447 240 1 . 1 1 50 50 ASP CB C 50 42.383 42.383 40.822 1.561 25447 241 1 . 1 1 50 50 ASP H H 50 7.697 7.697 7.643 0.054 25447 242 1 . 1 1 51 51 ARG N N 51 116.911 116.911 118.068 -1.157 25447 243 1 . 1 1 51 51 ARG HA H 51 3.736 3.736 4.047 -0.311 25447 244 1 . 1 1 51 51 ARG CA C 51 56.364 56.364 58.377 -2.013 25447 245 1 . 1 1 51 51 ARG CB C 51 29.315 29.315 30.213 -0.898 25447 246 1 . 1 1 51 51 ARG H H 51 8.881 8.881 7.869 1.012 25447 247 1 . 1 1 52 52 PHE N N 52 112.328 112.328 116.516 -4.188 25447 248 1 . 1 1 52 52 PHE HA H 52 4.675 4.675 4.628 0.047 25447 249 1 . 1 1 52 52 PHE CA C 52 57.413 57.413 58.039 -0.626 25447 250 1 . 1 1 52 52 PHE CB C 52 40.892 40.892 39.374 1.518 25447 251 1 . 1 1 52 52 PHE H H 52 7.284 7.284 7.608 -0.324 25447 252 1 . 1 1 53 53 GLY N N 53 109.826 109.826 108.869 0.957 25447 253 1 . 1 1 53 53 GLY CA C 53 46.801 46.801 45.581 1.220 25447 254 1 . 1 1 53 53 GLY H H 53 7.427 7.427 7.944 -0.517 25447 255 1 . 1 1 54 54 ILE N N 54 119.127 119.127 115.187 3.940 25447 256 1 . 1 1 54 54 ILE HA H 54 3.951 3.951 4.501 -0.550 25447 257 1 . 1 1 54 54 ILE CA C 54 60.685 60.685 59.433 1.252 25447 258 1 . 1 1 54 54 ILE CB C 54 39.490 39.490 39.623 -0.133 25447 259 1 . 1 1 54 54 ILE H H 54 6.876 6.876 7.564 -0.688 25447 260 1 . 1 1 55 55 ALA N N 55 129.823 129.823 124.860 4.963 25447 261 1 . 1 1 55 55 ALA HA H 55 4.414 4.414 4.556 -0.142 25447 262 1 . 1 1 55 55 ALA CA C 55 51.610 51.610 50.756 0.854 25447 263 1 . 1 1 55 55 ALA CB C 55 19.262 19.262 20.160 -0.898 25447 264 1 . 1 1 55 55 ALA H H 55 8.499 8.499 8.346 0.153 25447 265 1 . 1 1 56 56 ALA N N 56 126.300 126.300 125.792 0.508 25447 266 1 . 1 1 56 56 ALA HA H 56 4.269 4.269 4.085 0.184 25447 267 1 . 1 1 56 56 ALA CA C 56 53.474 53.474 54.384 -0.910 25447 268 1 . 1 1 56 56 ALA CB C 56 19.244 19.244 18.653 0.591 25447 269 1 . 1 1 56 56 ALA H H 56 8.641 8.641 8.747 -0.106 25447 270 1 . 1 1 57 57 ASP N N 57 116.395 116.395 117.178 -0.783 25447 271 1 . 1 1 57 57 ASP HA H 57 4.479 4.479 4.371 0.108 25447 272 1 . 1 1 57 57 ASP CA C 57 55.226 55.226 56.064 -0.838 25447 273 1 . 1 1 57 57 ASP CB C 57 40.922 40.922 40.123 0.799 25447 274 1 . 1 1 57 57 ASP H H 57 8.337 8.337 8.432 -0.095 25447 275 1 . 1 1 58 58 ASP N N 58 118.557 118.557 118.308 0.249 25447 276 1 . 1 1 58 58 ASP HA H 58 4.636 4.636 4.421 0.215 25447 277 1 . 1 1 58 58 ASP CA C 58 55.144 55.144 55.750 -0.606 25447 278 1 . 1 1 58 58 ASP CB C 58 41.504 41.504 41.108 0.396 25447 279 1 . 1 1 58 58 ASP H H 58 8.027 8.027 7.993 0.034 25447 280 1 . 1 1 59 59 VAL N N 59 118.898 118.898 117.980 0.918 25447 281 1 . 1 1 59 59 VAL HA H 59 4.176 4.176 4.273 -0.097 25447 282 1 . 1 1 59 59 VAL CA C 59 62.300 62.300 60.970 1.330 25447 283 1 . 1 1 59 59 VAL CB C 59 33.078 33.078 34.651 -1.573 25447 284 1 . 1 1 59 59 VAL H H 59 7.716 7.716 7.459 0.257 25447 285 1 . 1 1 60 60 GLU N N 60 122.888 122.888 125.785 -2.897 25447 286 1 . 1 1 60 60 GLU HA H 60 4.284 4.284 4.462 -0.178 25447 287 1 . 1 1 60 60 GLU CA C 60 56.546 56.546 55.819 0.727 25447 288 1 . 1 1 60 60 GLU CB C 60 29.782 29.782 30.651 -0.869 25447 289 1 . 1 1 60 60 GLU H H 60 8.367 8.367 8.399 -0.033 25447 290 1 . 1 1 61 61 LEU N N 61 124.827 124.827 125.048 -0.221 25447 291 1 . 1 1 61 61 LEU HA H 61 4.358 4.358 4.500 -0.142 25447 292 1 . 1 1 61 61 LEU CA C 61 54.816 54.816 54.231 0.585 25447 293 1 . 1 1 61 61 LEU CB C 61 41.937 41.937 42.943 -1.006 25447 294 1 . 1 1 61 61 LEU H H 61 8.198 8.198 8.458 -0.260 25447 295 1 . 1 1 62 62 SER N N 62 118.715 118.715 118.755 -0.040 25447 296 1 . 1 1 62 62 SER HA H 62 4.809 4.809 4.950 -0.141 25447 297 1 . 1 1 62 62 SER CA C 62 55.732 55.732 55.409 0.323 25447 298 1 . 1 1 62 62 SER CB C 62 64.017 64.017 64.727 -0.710 25447 299 1 . 1 1 62 62 SER H H 62 8.137 8.137 8.245 -0.108 25447 300 1 . 1 1 63 63 PRO HA H 63 4.253 4.253 4.260 -0.007 25447 301 1 . 1 1 63 63 PRO CA C 63 64.896 64.896 65.103 -0.207 25447 302 1 . 1 1 63 63 PRO CB C 63 32.052 32.052 31.789 0.263 25447 303 1 . 1 1 64 64 GLU N N 64 116.554 116.554 118.948 -2.394 25447 304 1 . 1 1 64 64 GLU HA H 64 3.873 3.873 4.138 -0.265 25447 305 1 . 1 1 64 64 GLU CA C 64 58.719 58.719 58.948 -0.229 25447 306 1 . 1 1 64 64 GLU CB C 64 28.681 28.681 29.200 -0.519 25447 307 1 . 1 1 64 64 GLU H H 64 8.316 8.316 8.571 -0.255 25447 308 1 . 1 1 65 65 HIS N N 65 115.487 115.487 119.617 -4.130 25447 309 1 . 1 1 65 65 HIS HA H 65 4.280 4.280 4.236 0.044 25447 310 1 . 1 1 65 65 HIS CA C 65 57.652 57.652 58.174 -0.522 25447 311 1 . 1 1 65 65 HIS CB C 65 29.882 29.882 29.526 0.356 25447 312 1 . 1 1 65 65 HIS H H 65 7.274 7.274 8.253 -0.980 25447 313 1 . 1 1 66 66 PHE N N 66 116.127 116.127 116.405 -0.278 25447 314 1 . 1 1 66 66 PHE HA H 66 4.766 4.766 4.536 0.230 25447 315 1 . 1 1 66 66 PHE CA C 66 55.782 55.782 57.599 -1.817 25447 316 1 . 1 1 66 66 PHE CB C 66 38.908 38.908 37.720 1.188 25447 317 1 . 1 1 66 66 PHE H H 66 7.239 7.239 7.732 -0.493 25447 318 1 . 1 1 67 67 ARG N N 67 112.468 112.468 119.511 -7.043 25447 319 1 . 1 1 67 67 ARG HA H 67 4.085 4.085 3.980 0.105 25447 320 1 . 1 1 67 67 ARG CA C 67 58.287 58.287 59.038 -0.751 25447 321 1 . 1 1 67 67 ARG CB C 67 31.760 31.760 30.450 1.310 25447 322 1 . 1 1 67 67 ARG H H 67 6.628 6.628 7.854 -1.226 25447 323 1 . 1 1 68 68 SER N N 68 109.305 109.305 110.602 -1.297 25447 324 1 . 1 1 68 68 SER HA H 68 4.980 4.980 4.780 0.200 25447 325 1 . 1 1 68 68 SER CA C 68 55.785 55.785 56.679 -0.894 25447 326 1 . 1 1 68 68 SER CB C 68 67.691 67.691 65.825 1.866 25447 327 1 . 1 1 68 68 SER H H 68 8.145 8.145 7.410 0.735 25447 328 1 . 1 1 69 69 ILE N N 69 122.602 122.602 123.548 -0.946 25447 329 1 . 1 1 69 69 ILE HA H 69 3.676 3.676 3.763 -0.087 25447 330 1 . 1 1 69 69 ILE CA C 69 66.754 66.754 65.149 1.605 25447 331 1 . 1 1 69 69 ILE CB C 69 37.296 37.296 37.472 -0.176 25447 332 1 . 1 1 69 69 ILE H H 69 9.775 9.775 9.118 0.657 25447 333 1 . 1 1 70 70 ARG N N 70 118.764 118.764 119.051 -0.287 25447 334 1 . 1 1 70 70 ARG HA H 70 3.955 3.955 3.979 -0.024 25447 335 1 . 1 1 70 70 ARG CA C 70 60.533 60.533 59.728 0.805 25447 336 1 . 1 1 70 70 ARG CB C 70 30.418 30.418 29.461 0.957 25447 337 1 . 1 1 70 70 ARG H H 70 8.910 8.910 8.100 0.810 25447 338 1 . 1 1 71 71 SER N N 71 117.670 117.670 115.448 2.222 25447 339 1 . 1 1 71 71 SER HA H 71 4.330 4.330 4.248 0.082 25447 340 1 . 1 1 71 71 SER CA C 71 62.287 62.287 61.343 0.944 25447 341 1 . 1 1 71 71 SER CB C 71 63.278 63.278 62.634 0.644 25447 342 1 . 1 1 71 71 SER H H 71 8.518 8.518 7.581 0.936 25447 343 1 . 1 1 72 72 ILE N N 72 127.447 127.447 123.442 4.005 25447 344 1 . 1 1 72 72 ILE HA H 72 3.910 3.910 3.596 0.314 25447 345 1 . 1 1 72 72 ILE CA C 72 66.811 66.811 65.308 1.503 25447 346 1 . 1 1 72 72 ILE CB C 72 38.398 38.398 37.541 0.857 25447 347 1 . 1 1 72 72 ILE H H 72 8.762 8.762 7.550 1.212 25447 348 1 . 1 1 73 73 ASP N N 73 121.636 121.636 120.114 1.522 25447 349 1 . 1 1 73 73 ASP HA H 73 4.013 4.013 4.346 -0.333 25447 350 1 . 1 1 73 73 ASP CA C 73 59.148 59.148 57.343 1.805 25447 351 1 . 1 1 73 73 ASP CB C 73 43.540 43.540 40.564 2.976 25447 352 1 . 1 1 73 73 ASP H H 73 8.677 8.677 8.095 0.582 25447 353 1 . 1 1 74 74 ALA N N 74 118.793 118.793 122.117 -3.324 25447 354 1 . 1 1 74 74 ALA HA H 74 4.044 4.044 4.033 0.011 25447 355 1 . 1 1 74 74 ALA CA C 74 55.321 55.321 55.087 0.234 25447 356 1 . 1 1 74 74 ALA CB C 74 17.945 17.945 18.451 -0.506 25447 357 1 . 1 1 74 74 ALA H H 74 8.005 8.005 7.788 0.217 25447 358 1 . 1 1 75 75 PHE N N 75 121.235 121.235 119.924 1.311 25447 359 1 . 1 1 75 75 PHE HA H 75 4.038 4.038 4.027 0.011 25447 360 1 . 1 1 75 75 PHE CA C 75 61.015 61.015 61.863 -0.847 25447 361 1 . 1 1 75 75 PHE CB C 75 38.837 38.837 39.338 -0.501 25447 362 1 . 1 1 75 75 PHE H H 75 8.353 8.353 8.459 -0.106 25447 363 1 . 1 1 76 76 VAL N N 76 120.866 120.866 118.939 1.927 25447 364 1 . 1 1 76 76 VAL HA H 76 2.943 2.943 3.356 -0.413 25447 365 1 . 1 1 76 76 VAL CA C 76 66.901 66.901 66.858 0.043 25447 366 1 . 1 1 76 76 VAL CB C 76 31.247 31.247 31.284 -0.037 25447 367 1 . 1 1 76 76 VAL H H 76 8.544 8.544 8.189 0.355 25447 368 1 . 1 1 77 77 VAL N N 77 121.408 121.408 119.732 1.676 25447 369 1 . 1 1 77 77 VAL HA H 77 3.495 3.495 3.722 -0.227 25447 370 1 . 1 1 77 77 VAL CA C 77 66.833 66.833 66.081 0.752 25447 371 1 . 1 1 77 77 VAL CB C 77 31.930 31.930 31.220 0.710 25447 372 1 . 1 1 77 77 VAL H H 77 8.708 8.708 8.205 0.503 25447 373 1 . 1 1 78 78 GLY N N 78 106.402 106.402 106.957 -0.555 25447 374 1 . 1 1 78 78 GLY CA C 78 46.840 46.840 46.950 -0.110 25447 375 1 . 1 1 78 78 GLY H H 78 7.945 7.945 8.525 -0.580 25447 376 1 . 1 1 79 79 ALA N N 79 121.146 121.146 122.496 -1.350 25447 377 1 . 1 1 79 79 ALA HA H 79 4.207 4.207 3.942 0.265 25447 378 1 . 1 1 79 79 ALA CA C 79 52.929 52.929 54.260 -1.331 25447 379 1 . 1 1 79 79 ALA CB C 79 19.261 19.261 18.342 0.918 25447 380 1 . 1 1 79 79 ALA H H 79 7.639 7.639 7.504 0.135 25447 381 1 . 1 1 80 80 THR N N 80 107.668 107.668 109.297 -1.629 25447 382 1 . 1 1 80 80 THR HA H 80 4.443 4.443 4.272 0.171 25447 383 1 . 1 1 80 80 THR CA C 80 61.406 61.406 63.027 -1.621 25447 384 1 . 1 1 80 80 THR CB C 80 70.767 70.767 69.750 1.017 25447 385 1 . 1 1 80 80 THR H H 80 7.449 7.449 7.695 -0.246 25447 386 1 . 1 1 81 81 THR N N 81 119.953 119.953 116.582 3.371 25447 387 1 . 1 1 81 81 THR HA H 81 4.665 4.665 4.814 -0.149 25447 388 1 . 1 1 81 81 THR CA C 81 60.412 60.412 59.053 1.359 25447 389 1 . 1 1 81 81 THR CB C 81 70.113 70.113 69.707 0.406 25447 390 1 . 1 1 81 81 THR H H 81 7.685 7.685 7.920 -0.235 25447 391 1 . 1 1 82 82 PRO HA H 82 4.689 4.689 4.518 0.171 25447 392 1 . 1 1 82 82 PRO CA C 82 61.688 61.688 62.187 -0.499 25447 393 1 . 1 1 82 82 PRO CB C 82 30.969 30.969 30.818 0.151 25447 394 1 . 1 1 83 83 PRO HA H 83 4.481 4.481 4.410 0.071 25447 395 1 . 1 1 83 83 PRO CA C 83 62.931 62.931 62.489 0.442 25447 396 1 . 1 1 83 83 PRO CB C 83 32.193 32.193 32.471 -0.278 25447 397 1 . 1 1 84 84 VAL N N 84 120.691 120.691 120.904 -0.213 25447 398 1 . 1 1 84 84 VAL HA H 84 4.093 4.093 4.192 -0.099 25447 399 1 . 1 1 84 84 VAL CA C 84 62.339 62.339 61.498 0.841 25447 400 1 . 1 1 84 84 VAL CB C 84 32.851 32.851 32.934 -0.083 25447 401 1 . 1 1 84 84 VAL H H 84 8.257 8.257 8.100 0.157 25447 402 1 . 1 1 85 85 GLU N N 85 127.655 127.655 123.413 4.242 25447 403 1 . 1 1 85 85 GLU HA H 85 4.284 4.284 3.879 0.405 25447 404 1 . 1 1 85 85 GLU CA C 85 56.754 56.754 56.496 0.258 25447 405 1 . 1 1 85 85 GLU CB C 85 30.559 30.559 28.422 2.137 25447 406 1 . 1 1 85 85 GLU H H 85 8.202 8.202 8.720 -0.518 25447 407 1 . 1 1 86 86 ALA N N 86 126.437 126.437 121.392 5.045 25447 408 1 . 1 1 86 86 ALA HA H 86 4.051 4.051 4.131 -0.080 25447 409 1 . 1 1 86 86 ALA CA C 86 52.148 52.148 52.592 -0.444 25447 410 1 . 1 1 86 86 ALA CB C 86 19.460 19.460 19.493 -0.033 25447 411 1 . 1 1 86 86 ALA H H 86 8.323 8.323 8.051 0.272 25447 412 1 . 1 1 87 87 LYS N N 87 121.796 121.796 121.202 0.594 25447 413 1 . 1 1 87 87 LYS HA H 87 4.347 4.347 4.061 0.286 25447 414 1 . 1 1 87 87 LYS CA C 87 56.297 56.297 57.647 -1.350 25447 415 1 . 1 1 87 87 LYS CB C 87 33.276 33.276 32.590 0.686 25447 416 1 . 1 1 87 87 LYS H H 87 8.333 8.333 8.456 -0.123 25447 417 1 . 1 1 88 88 LEU N N 88 125.576 125.576 120.368 5.208 25447 418 1 . 1 1 88 88 LEU HA H 88 3.907 3.907 4.309 -0.402 25447 419 1 . 1 1 88 88 LEU CA C 88 55.772 55.772 55.121 0.651 25447 420 1 . 1 1 88 88 LEU CB C 88 42.472 42.472 42.080 0.392 25447 421 1 . 1 1 88 88 LEU H H 88 8.444 8.444 7.894 0.550 25447 stop_ save_