data_18231 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18231 _Entry.PDB_ID 2LP3 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 18231 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER N N 2 118.234 118.234 117.788 0.446 18231 2 1 1 . 1 1 2 2 SER HA H 2 4.750 4.750 4.404 0.346 18231 3 1 1 . 1 1 2 2 SER C C 2 178.105 178.105 175.795 2.310 18231 4 1 1 . 1 1 2 2 SER CA C 2 57.133 57.133 58.161 -1.028 18231 5 1 1 . 1 1 2 2 SER CB C 2 64.624 64.624 64.445 0.179 18231 6 1 1 . 1 1 2 2 SER H H 2 9.007 9.007 8.522 0.485 18231 7 1 1 . 1 1 3 3 GLU N N 3 123.466 123.466 121.999 1.467 18231 8 1 1 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.081 0.058 18231 9 1 1 . 1 1 3 3 GLU C C 3 173.854 173.854 178.998 -5.144 18231 10 1 1 . 1 1 3 3 GLU CA C 3 60.110 60.110 59.044 1.066 18231 11 1 1 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.673 -0.773 18231 12 1 1 . 1 1 3 3 GLU H H 3 9.436 9.436 8.832 0.604 18231 13 1 1 . 1 1 4 4 LEU N N 4 119.878 119.878 118.857 1.021 18231 14 1 1 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.025 0.061 18231 15 1 1 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.336 0.573 18231 16 1 1 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.275 0.130 18231 17 1 1 . 1 1 4 4 LEU H H 4 8.891 8.891 8.133 0.758 18231 18 1 1 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.006 0.005 18231 19 1 1 . 1 1 5 5 GLU C C 5 173.709 173.709 178.380 -4.671 18231 20 1 1 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.671 -0.075 18231 21 1 1 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.311 -0.255 18231 22 1 1 . 1 1 6 6 THR N N 6 116.614 116.614 115.862 0.752 18231 23 1 1 . 1 1 6 6 THR HA H 6 4.019 4.019 4.066 -0.047 18231 24 1 1 . 1 1 6 6 THR C C 6 176.965 176.965 176.235 0.730 18231 25 1 1 . 1 1 6 6 THR CA C 6 66.175 66.175 66.418 -0.243 18231 26 1 1 . 1 1 6 6 THR CB C 6 68.280 68.280 68.226 0.054 18231 27 1 1 . 1 1 6 6 THR H H 6 8.316 8.316 7.536 0.780 18231 28 1 1 . 1 1 7 7 ALA N N 7 126.118 126.118 124.993 1.125 18231 29 1 1 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.126 0.010 18231 30 1 1 . 1 1 7 7 ALA C C 7 173.544 173.544 179.428 -5.884 18231 31 1 1 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.941 -0.103 18231 32 1 1 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.222 -0.772 18231 33 1 1 . 1 1 7 7 ALA H H 7 8.167 8.167 7.407 0.760 18231 34 1 1 . 1 1 8 8 MET N N 8 117.610 117.610 117.056 0.554 18231 35 1 1 . 1 1 8 8 MET HA H 8 4.174 4.174 4.038 0.136 18231 36 1 1 . 1 1 8 8 MET C C 8 175.513 175.513 178.758 -3.245 18231 37 1 1 . 1 1 8 8 MET CA C 8 61.988 61.988 59.590 2.398 18231 38 1 1 . 1 1 8 8 MET CB C 8 26.277 26.277 32.541 -6.264 18231 39 1 1 . 1 1 8 8 MET H H 8 8.286 8.286 7.770 0.516 18231 40 1 1 . 1 1 9 9 GLU N N 9 117.751 117.751 118.880 -1.129 18231 41 1 1 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.067 -0.147 18231 42 1 1 . 1 1 9 9 GLU C C 9 174.479 174.479 179.173 -4.694 18231 43 1 1 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.556 -0.137 18231 44 1 1 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.620 -0.606 18231 45 1 1 . 1 1 9 9 GLU H H 9 8.055 8.055 7.910 0.145 18231 46 1 1 . 1 1 10 10 THR N N 10 117.936 117.936 115.637 2.299 18231 47 1 1 . 1 1 10 10 THR HA H 10 4.083 4.083 4.137 -0.054 18231 48 1 1 . 1 1 10 10 THR C C 10 177.781 177.781 176.655 1.126 18231 49 1 1 . 1 1 10 10 THR CA C 10 66.869 66.869 65.751 1.118 18231 50 1 1 . 1 1 10 10 THR CB C 10 67.663 67.663 68.391 -0.728 18231 51 1 1 . 1 1 10 10 THR H H 10 8.398 8.398 8.316 0.082 18231 52 1 1 . 1 1 11 11 LEU N N 11 119.632 119.632 122.739 -3.107 18231 53 1 1 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.365 -0.409 18231 54 1 1 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.508 0.360 18231 55 1 1 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.227 0.370 18231 56 1 1 . 1 1 11 11 LEU H H 11 8.134 8.134 7.561 0.573 18231 57 1 1 . 1 1 12 12 ILE N N 12 119.532 119.532 119.881 -0.349 18231 58 1 1 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.177 0.791 18231 59 1 1 . 1 1 12 12 ILE C C 12 175.378 175.378 178.071 -2.693 18231 60 1 1 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.719 -0.347 18231 61 1 1 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.397 1.535 18231 62 1 1 . 1 1 12 12 ILE H H 12 7.751 7.751 7.691 0.060 18231 63 1 1 . 1 1 13 13 ASN N N 13 121.617 121.617 118.369 3.248 18231 64 1 1 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.601 -0.074 18231 65 1 1 . 1 1 13 13 ASN C C 13 174.457 174.457 177.856 -3.399 18231 66 1 1 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.385 -0.324 18231 67 1 1 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.288 -0.631 18231 68 1 1 . 1 1 13 13 ASN H H 13 9.012 9.012 8.559 0.453 18231 69 1 1 . 1 1 14 14 VAL N N 14 120.538 120.538 119.905 0.633 18231 70 1 1 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.864 -0.049 18231 71 1 1 . 1 1 14 14 VAL C C 14 176.194 176.194 178.099 -1.905 18231 72 1 1 . 1 1 14 14 VAL CA C 14 66.080 66.080 66.834 -0.754 18231 73 1 1 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.342 0.229 18231 74 1 1 . 1 1 14 14 VAL H H 14 8.951 8.951 8.379 0.572 18231 75 1 1 . 1 1 15 15 PHE N N 15 117.397 117.397 121.790 -4.393 18231 76 1 1 . 1 1 15 15 PHE HA H 15 3.469 3.469 3.978 -0.509 18231 77 1 1 . 1 1 15 15 PHE C C 15 176.028 176.028 176.969 -0.941 18231 78 1 1 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.120 0.042 18231 79 1 1 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.038 -0.103 18231 80 1 1 . 1 1 15 15 PHE H H 15 6.953 6.953 8.622 -1.669 18231 81 1 1 . 1 1 16 16 HIS N N 16 115.032 115.032 118.619 -3.587 18231 82 1 1 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.245 0.591 18231 83 1 1 . 1 1 16 16 HIS C C 16 176.028 176.028 177.892 -1.864 18231 84 1 1 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.577 -1.560 18231 85 1 1 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.431 -1.150 18231 86 1 1 . 1 1 16 16 HIS H H 16 7.736 7.736 8.335 -0.599 18231 87 1 1 . 1 1 17 17 ALA N N 17 123.252 123.252 121.800 1.452 18231 88 1 1 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.975 0.073 18231 89 1 1 . 1 1 17 17 ALA C C 17 174.507 174.507 179.721 -5.214 18231 90 1 1 . 1 1 17 17 ALA CA C 17 53.695 53.695 55.044 -1.349 18231 91 1 1 . 1 1 17 17 ALA CB C 17 17.354 17.354 18.108 -0.754 18231 92 1 1 . 1 1 17 17 ALA H H 17 8.070 8.070 8.342 -0.272 18231 93 1 1 . 1 1 18 18 HIS N N 18 113.812 113.812 117.028 -3.216 18231 94 1 1 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.231 0.159 18231 95 1 1 . 1 1 18 18 HIS C C 18 177.747 177.747 178.583 -0.836 18231 96 1 1 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.320 -2.385 18231 97 1 1 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.876 2.264 18231 98 1 1 . 1 1 18 18 HIS H H 18 7.043 7.043 8.497 -1.454 18231 99 1 1 . 1 1 19 19 SER N N 19 113.634 113.634 115.314 -1.680 18231 100 1 1 . 1 1 19 19 SER HA H 19 3.673 3.673 4.214 -0.541 18231 101 1 1 . 1 1 19 19 SER C C 19 176.511 176.511 177.042 -0.531 18231 102 1 1 . 1 1 19 19 SER CA C 19 60.926 60.926 60.497 0.429 18231 103 1 1 . 1 1 19 19 SER CB C 19 60.919 60.919 62.568 -1.649 18231 104 1 1 . 1 1 19 19 SER H H 19 8.489 8.489 8.283 0.206 18231 105 1 1 . 1 1 20 20 GLY N N 20 111.572 111.572 109.860 1.712 18231 106 1 1 . 1 1 20 20 GLY C C 20 179.798 179.798 175.643 4.155 18231 107 1 1 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.404 -1.312 18231 108 1 1 . 1 1 20 20 GLY H H 20 7.734 7.734 8.150 -0.416 18231 109 1 1 . 1 1 21 21 LYS N N 21 122.204 122.204 120.851 1.353 18231 110 1 1 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.027 -0.102 18231 111 1 1 . 1 1 21 21 LYS C C 21 176.162 176.162 177.476 -1.314 18231 112 1 1 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.638 0.458 18231 113 1 1 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.503 -0.603 18231 114 1 1 . 1 1 21 21 LYS H H 21 7.196 7.196 7.721 -0.525 18231 115 1 1 . 1 1 22 22 GLU N N 22 115.840 115.840 117.957 -2.117 18231 116 1 1 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.481 0.186 18231 117 1 1 . 1 1 22 22 GLU C C 22 176.511 176.511 176.273 0.238 18231 118 1 1 . 1 1 22 22 GLU CA C 22 53.781 53.781 54.951 -1.170 18231 119 1 1 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.356 3.285 18231 120 1 1 . 1 1 22 22 GLU H H 22 9.363 9.363 7.633 1.730 18231 121 1 1 . 1 1 23 23 GLY N N 23 111.558 111.558 110.655 0.903 18231 122 1 1 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.398 0.102 18231 123 1 1 . 1 1 23 23 GLY H H 23 7.710 7.710 7.993 -0.283 18231 124 1 1 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.388 0.020 18231 125 1 1 . 1 1 24 24 ASP C C 24 173.495 173.495 176.845 -3.350 18231 126 1 1 . 1 1 24 24 ASP CA C 24 54.717 54.717 55.170 -0.453 18231 127 1 1 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.430 2.630 18231 128 1 1 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.907 0.380 18231 129 1 1 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.100 -1.571 18231 130 1 1 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.415 -1.506 18231 131 1 1 . 1 1 26 26 TYR N N 26 119.467 119.467 114.552 4.915 18231 132 1 1 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.555 0.156 18231 133 1 1 . 1 1 26 26 TYR C C 26 179.682 179.682 176.038 3.644 18231 134 1 1 . 1 1 26 26 TYR CA C 26 55.824 55.824 60.296 -4.472 18231 135 1 1 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.499 -0.828 18231 136 1 1 . 1 1 26 26 TYR H H 26 9.377 9.377 8.591 0.786 18231 137 1 1 . 1 1 27 27 LYS N N 27 114.770 114.770 118.611 -3.841 18231 138 1 1 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.662 0.460 18231 139 1 1 . 1 1 27 27 LYS C C 27 178.721 178.721 175.273 3.448 18231 140 1 1 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.821 -0.094 18231 141 1 1 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.203 3.286 18231 142 1 1 . 1 1 27 27 LYS H H 27 7.100 7.100 7.723 -0.623 18231 143 1 1 . 1 1 28 28 LEU N N 28 125.858 125.858 126.068 -0.210 18231 144 1 1 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.932 0.251 18231 145 1 1 . 1 1 28 28 LEU C C 28 177.490 177.490 175.457 2.033 18231 146 1 1 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.549 -1.216 18231 147 1 1 . 1 1 28 28 LEU CB C 28 42.586 42.586 45.211 -2.625 18231 148 1 1 . 1 1 28 28 LEU H H 28 9.750 9.750 8.349 1.401 18231 149 1 1 . 1 1 29 29 SER N N 29 120.926 120.926 119.456 1.470 18231 150 1 1 . 1 1 29 29 SER HA H 29 4.560 4.560 4.742 -0.182 18231 151 1 1 . 1 1 29 29 SER C C 29 178.943 178.943 175.544 3.399 18231 152 1 1 . 1 1 29 29 SER CA C 29 55.907 55.907 55.785 0.123 18231 153 1 1 . 1 1 29 29 SER CB C 29 65.035 65.035 65.401 -0.366 18231 154 1 1 . 1 1 29 29 SER H H 29 9.907 9.907 7.953 1.954 18231 155 1 1 . 1 1 30 30 LYS N N 30 120.263 120.263 126.353 -6.090 18231 156 1 1 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.965 -0.114 18231 157 1 1 . 1 1 30 30 LYS C C 30 175.519 175.519 178.309 -2.790 18231 158 1 1 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.304 0.356 18231 159 1 1 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.396 -0.658 18231 160 1 1 . 1 1 30 30 LYS H H 30 8.838 8.838 8.963 -0.125 18231 161 1 1 . 1 1 31 31 LYS N N 31 118.292 118.292 117.899 0.393 18231 162 1 1 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.016 -0.094 18231 163 1 1 . 1 1 31 31 LYS C C 31 174.664 174.664 178.999 -4.335 18231 164 1 1 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.572 -0.274 18231 165 1 1 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.219 0.446 18231 166 1 1 . 1 1 31 31 LYS H H 31 7.903 7.903 7.924 -0.021 18231 167 1 1 . 1 1 32 32 GLU N N 32 119.243 119.243 118.797 0.446 18231 168 1 1 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.019 -0.112 18231 169 1 1 . 1 1 32 32 GLU C C 32 174.836 174.836 178.911 -4.075 18231 170 1 1 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.217 -0.901 18231 171 1 1 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.514 1.363 18231 172 1 1 . 1 1 32 32 GLU H H 32 7.499 7.499 7.484 0.015 18231 173 1 1 . 1 1 33 33 LEU N N 33 119.432 119.432 119.474 -0.042 18231 174 1 1 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.156 -0.238 18231 175 1 1 . 1 1 33 33 LEU C C 33 175.740 175.740 178.031 -2.291 18231 176 1 1 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.438 -0.169 18231 177 1 1 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.189 -0.208 18231 178 1 1 . 1 1 33 33 LEU H H 33 9.062 9.062 8.330 0.732 18231 179 1 1 . 1 1 34 34 LYS N N 34 119.090 119.090 120.782 -1.692 18231 180 1 1 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.824 -0.170 18231 181 1 1 . 1 1 34 34 LYS C C 34 175.916 175.916 178.382 -2.466 18231 182 1 1 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.341 -0.057 18231 183 1 1 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.130 -0.730 18231 184 1 1 . 1 1 34 34 LYS H H 34 8.236 8.236 8.468 -0.232 18231 185 1 1 . 1 1 35 35 GLU N N 35 117.482 117.482 119.071 -1.589 18231 186 1 1 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.063 -0.066 18231 187 1 1 . 1 1 35 35 GLU C C 35 174.549 174.549 178.679 -4.130 18231 188 1 1 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.277 -0.048 18231 189 1 1 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.036 -0.203 18231 190 1 1 . 1 1 35 35 GLU H H 35 7.734 7.734 7.660 0.074 18231 191 1 1 . 1 1 36 36 LEU N N 36 124.601 124.601 119.116 5.485 18231 192 1 1 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.808 -1.120 18231 193 1 1 . 1 1 36 36 LEU C C 36 174.780 174.780 178.860 -4.080 18231 194 1 1 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.877 1.450 18231 195 1 1 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.044 0.591 18231 196 1 1 . 1 1 36 36 LEU H H 36 8.308 8.308 7.233 1.075 18231 197 1 1 . 1 1 37 37 LEU N N 37 118.901 118.901 119.296 -0.395 18231 198 1 1 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.976 -0.243 18231 199 1 1 . 1 1 37 37 LEU C C 37 174.771 174.771 179.677 -4.906 18231 200 1 1 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.887 0.026 18231 201 1 1 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.340 -0.054 18231 202 1 1 . 1 1 37 37 LEU H H 37 8.663 8.663 8.327 0.336 18231 203 1 1 . 1 1 38 38 GLN N N 38 114.582 114.582 119.080 -4.498 18231 204 1 1 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.022 -0.065 18231 205 1 1 . 1 1 38 38 GLN C C 38 175.747 175.747 177.740 -1.993 18231 206 1 1 . 1 1 38 38 GLN CA C 38 58.171 58.171 59.021 -0.850 18231 207 1 1 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.968 -0.339 18231 208 1 1 . 1 1 38 38 GLN H H 38 8.507 8.507 8.251 0.256 18231 209 1 1 . 1 1 39 39 THR N N 39 110.227 110.227 113.706 -3.479 18231 210 1 1 . 1 1 39 39 THR HA H 39 4.252 4.252 3.772 0.480 18231 211 1 1 . 1 1 39 39 THR C C 39 176.966 176.966 175.771 1.195 18231 212 1 1 . 1 1 39 39 THR CA C 39 64.485 64.485 65.730 -1.245 18231 213 1 1 . 1 1 39 39 THR CB C 39 69.254 69.254 68.929 0.325 18231 214 1 1 . 1 1 39 39 THR H H 39 7.845 7.845 7.889 -0.044 18231 215 1 1 . 1 1 40 40 GLU N N 40 117.400 117.400 120.121 -2.721 18231 216 1 1 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.131 0.019 18231 217 1 1 . 1 1 40 40 GLU C C 40 177.343 177.343 176.862 0.481 18231 218 1 1 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.213 -1.644 18231 219 1 1 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.277 -0.696 18231 220 1 1 . 1 1 40 40 GLU H H 40 8.460 8.460 8.002 0.458 18231 221 1 1 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.624 0.403 18231 222 1 1 . 1 1 41 41 LEU C C 41 176.458 176.458 177.840 -1.382 18231 223 1 1 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.909 -1.474 18231 224 1 1 . 1 1 41 41 LEU CB C 41 43.307 43.307 41.726 1.581 18231 225 1 1 . 1 1 42 42 SER N N 42 116.528 116.528 121.199 -4.671 18231 226 1 1 . 1 1 42 42 SER HA H 42 4.062 4.062 4.384 -0.322 18231 227 1 1 . 1 1 42 42 SER CA C 42 61.213 61.213 61.234 -0.021 18231 228 1 1 . 1 1 42 42 SER CB C 42 62.378 62.378 63.064 -0.686 18231 229 1 1 . 1 1 42 42 SER H H 42 8.246 8.246 9.097 -0.851 18231 230 1 1 . 1 1 43 43 GLY N N 43 111.367 111.367 108.527 2.840 18231 231 1 1 . 1 1 43 43 GLY C C 43 177.750 177.750 175.871 1.879 18231 232 1 1 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.218 -0.480 18231 233 1 1 . 1 1 43 43 GLY H H 43 8.850 8.850 8.657 0.193 18231 234 1 1 . 1 1 44 44 PHE N N 44 122.213 122.213 121.778 0.435 18231 235 1 1 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.114 0.249 18231 236 1 1 . 1 1 44 44 PHE C C 44 176.428 176.428 177.187 -0.759 18231 237 1 1 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.415 0.098 18231 238 1 1 . 1 1 44 44 PHE CB C 44 39.332 39.332 37.992 1.340 18231 239 1 1 . 1 1 44 44 PHE H H 44 7.936 7.936 8.046 -0.110 18231 240 1 1 . 1 1 45 45 LEU N N 45 119.395 119.395 120.502 -1.107 18231 241 1 1 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.388 0.643 18231 242 1 1 . 1 1 45 45 LEU C C 45 177.212 177.212 178.456 -1.244 18231 243 1 1 . 1 1 45 45 LEU CA C 45 57.368 57.368 56.897 0.471 18231 244 1 1 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.849 -0.808 18231 245 1 1 . 1 1 45 45 LEU H H 45 8.133 8.133 6.688 1.445 18231 246 1 1 . 1 1 46 46 ASP N N 46 117.384 117.384 116.688 0.696 18231 247 1 1 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.712 -0.330 18231 248 1 1 . 1 1 46 46 ASP C C 46 176.684 176.684 176.630 0.054 18231 249 1 1 . 1 1 46 46 ASP CA C 46 55.312 55.312 54.696 0.616 18231 250 1 1 . 1 1 46 46 ASP CB C 46 40.540 40.540 40.451 0.089 18231 251 1 1 . 1 1 46 46 ASP H H 46 8.139 8.139 8.178 -0.039 18231 252 1 1 . 1 1 47 47 ALA N N 47 121.052 121.052 122.384 -1.332 18231 253 1 1 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.374 -0.210 18231 254 1 1 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.532 -1.987 18231 255 1 1 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.754 -0.405 18231 256 1 1 . 1 1 47 47 ALA H H 47 7.637 7.637 7.662 -0.025 18231 257 1 1 . 1 1 48 48 GLN N N 48 116.271 116.271 117.919 -1.648 18231 258 1 1 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.021 0.119 18231 259 1 1 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.636 -3.657 18231 260 1 1 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.273 -0.203 18231 261 1 1 . 1 1 48 48 GLN H H 48 7.661 7.661 8.372 -0.711 18231 262 1 1 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.076 0.053 18231 263 1 1 . 1 1 49 49 LYS C C 49 177.345 177.345 177.895 -0.550 18231 264 1 1 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.882 -2.635 18231 265 1 1 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.494 -0.714 18231 266 1 1 . 1 1 50 50 ASP N N 50 118.526 118.526 116.237 2.289 18231 267 1 1 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.711 -0.054 18231 268 1 1 . 1 1 50 50 ASP C C 50 177.422 177.422 177.437 -0.015 18231 269 1 1 . 1 1 50 50 ASP CA C 50 53.834 53.834 53.123 0.710 18231 270 1 1 . 1 1 50 50 ASP CB C 50 41.689 41.689 40.269 1.420 18231 271 1 1 . 1 1 50 50 ASP H H 50 7.975 7.975 7.778 0.197 18231 272 1 1 . 1 1 51 51 VAL N N 51 120.868 120.868 121.773 -0.905 18231 273 1 1 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.676 0.304 18231 274 1 1 . 1 1 51 51 VAL C C 51 177.212 177.212 177.184 0.028 18231 275 1 1 . 1 1 51 51 VAL CA C 51 63.349 63.349 66.343 -2.994 18231 276 1 1 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.108 -0.372 18231 277 1 1 . 1 1 51 51 VAL H H 51 8.225 8.225 7.341 0.884 18231 278 1 1 . 1 1 52 52 ASP N N 52 121.054 121.054 119.532 1.522 18231 279 1 1 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.327 0.451 18231 280 1 1 . 1 1 52 52 ASP C C 52 176.912 176.912 177.633 -0.721 18231 281 1 1 . 1 1 52 52 ASP CA C 52 53.389 53.389 56.854 -3.465 18231 282 1 1 . 1 1 52 52 ASP CB C 52 40.072 40.072 40.270 -0.198 18231 283 1 1 . 1 1 52 52 ASP H H 52 8.403 8.403 8.625 -0.222 18231 284 1 1 . 1 1 53 53 ALA N N 53 123.449 123.449 122.200 1.249 18231 285 1 1 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.095 -0.158 18231 286 1 1 . 1 1 53 53 ALA C C 53 174.124 174.124 179.515 -5.391 18231 287 1 1 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.759 0.204 18231 288 1 1 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.302 0.571 18231 289 1 1 . 1 1 53 53 ALA H H 53 7.757 7.757 7.868 -0.111 18231 290 1 1 . 1 1 54 54 VAL N N 54 116.105 116.105 118.872 -2.767 18231 291 1 1 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.505 -0.047 18231 292 1 1 . 1 1 54 54 VAL C C 54 176.953 176.953 177.626 -0.673 18231 293 1 1 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.680 -0.785 18231 294 1 1 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.441 -0.861 18231 295 1 1 . 1 1 54 54 VAL H H 54 8.281 8.281 8.021 0.260 18231 296 1 1 . 1 1 55 55 ASP N N 55 120.466 120.466 119.732 0.734 18231 297 1 1 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.441 -0.276 18231 298 1 1 . 1 1 55 55 ASP C C 55 174.997 174.997 179.380 -4.383 18231 299 1 1 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.199 0.001 18231 300 1 1 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.072 0.448 18231 301 1 1 . 1 1 55 55 ASP H H 55 7.667 7.667 8.205 -0.538 18231 302 1 1 . 1 1 56 56 LYS N N 56 119.065 119.065 120.893 -1.828 18231 303 1 1 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.046 -0.067 18231 304 1 1 . 1 1 56 56 LYS C C 56 174.602 174.602 178.936 -4.334 18231 305 1 1 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.151 -0.606 18231 306 1 1 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.537 -0.937 18231 307 1 1 . 1 1 56 56 LYS H H 56 7.628 7.628 7.304 0.324 18231 308 1 1 . 1 1 57 57 VAL N N 57 119.756 119.756 119.570 0.186 18231 309 1 1 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.720 0.007 18231 310 1 1 . 1 1 57 57 VAL C C 57 175.782 175.782 178.088 -2.306 18231 311 1 1 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.073 -0.474 18231 312 1 1 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.736 -0.489 18231 313 1 1 . 1 1 57 57 VAL H H 57 7.920 7.920 8.234 -0.314 18231 314 1 1 . 1 1 58 58 MET N N 58 118.541 118.541 119.305 -0.764 18231 315 1 1 . 1 1 58 58 MET HA H 58 3.936 3.936 4.140 -0.204 18231 316 1 1 . 1 1 58 58 MET C C 58 176.330 176.330 177.523 -1.193 18231 317 1 1 . 1 1 58 58 MET CA C 58 58.620 58.620 57.933 0.687 18231 318 1 1 . 1 1 58 58 MET CB C 58 32.002 32.002 32.007 -0.005 18231 319 1 1 . 1 1 58 58 MET H H 58 8.426 8.426 8.338 0.088 18231 320 1 1 . 1 1 59 59 LYS N N 59 116.084 116.084 117.979 -1.895 18231 321 1 1 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.967 -0.031 18231 322 1 1 . 1 1 59 59 LYS C C 59 176.918 176.918 178.091 -1.173 18231 323 1 1 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.478 -0.804 18231 324 1 1 . 1 1 59 59 LYS CB C 59 32.602 32.602 31.900 0.702 18231 325 1 1 . 1 1 59 59 LYS H H 59 7.623 7.623 7.519 0.104 18231 326 1 1 . 1 1 60 60 GLU N N 60 117.227 117.227 116.649 0.578 18231 327 1 1 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.154 -0.099 18231 328 1 1 . 1 1 60 60 GLU C C 60 175.146 175.146 178.351 -3.205 18231 329 1 1 . 1 1 60 60 GLU CA C 60 58.031 58.031 57.721 0.310 18231 330 1 1 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.611 -0.296 18231 331 1 1 . 1 1 60 60 GLU H H 60 7.592 7.592 7.632 -0.040 18231 332 1 1 . 1 1 61 61 LEU N N 61 116.051 116.051 117.859 -1.808 18231 333 1 1 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.149 0.214 18231 334 1 1 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.830 -1.971 18231 335 1 1 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.354 1.223 18231 336 1 1 . 1 1 61 61 LEU H H 61 8.045 8.045 7.340 0.705 18231 337 1 1 . 1 1 62 62 ASP N N 62 116.891 116.891 117.255 -0.364 18231 338 1 1 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.881 -0.181 18231 339 1 1 . 1 1 62 62 ASP C C 62 176.806 176.806 176.293 0.513 18231 340 1 1 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.399 -0.283 18231 341 1 1 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.187 -1.536 18231 342 1 1 . 1 1 62 62 ASP H H 62 8.008 8.008 8.044 -0.036 18231 343 1 1 . 1 1 63 63 GLU N N 63 129.185 129.185 125.675 3.510 18231 344 1 1 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.056 -0.002 18231 345 1 1 . 1 1 63 63 GLU C C 63 175.826 175.826 177.800 -1.974 18231 346 1 1 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.477 -0.159 18231 347 1 1 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.935 0.283 18231 348 1 1 . 1 1 63 63 GLU H H 63 8.347 8.347 8.092 0.255 18231 349 1 1 . 1 1 64 64 ASN N N 64 112.618 112.618 116.291 -3.673 18231 350 1 1 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.529 0.219 18231 351 1 1 . 1 1 64 64 ASN C C 64 176.855 176.855 176.055 0.800 18231 352 1 1 . 1 1 64 64 ASN CA C 64 51.626 51.626 54.332 -2.706 18231 353 1 1 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.878 -2.005 18231 354 1 1 . 1 1 64 64 ASN H H 64 7.978 7.978 8.038 -0.060 18231 355 1 1 . 1 1 65 65 GLY N N 65 109.111 109.111 106.908 2.203 18231 356 1 1 . 1 1 65 65 GLY C C 65 178.426 178.426 174.673 3.753 18231 357 1 1 . 1 1 65 65 GLY CA C 65 47.039 47.039 45.527 1.512 18231 358 1 1 . 1 1 65 65 GLY H H 65 7.543 7.543 8.214 -0.671 18231 359 1 1 . 1 1 66 66 ASP N N 66 119.205 119.205 121.856 -2.651 18231 360 1 1 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.471 0.070 18231 361 1 1 . 1 1 66 66 ASP C C 66 176.015 176.015 177.795 -1.780 18231 362 1 1 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.307 -1.468 18231 363 1 1 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.936 -1.060 18231 364 1 1 . 1 1 66 66 ASP H H 66 8.113 8.113 8.030 0.083 18231 365 1 1 . 1 1 67 67 GLY N N 67 113.254 113.254 108.015 5.239 18231 366 1 1 . 1 1 67 67 GLY C C 67 180.780 180.780 173.806 6.974 18231 367 1 1 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.817 0.396 18231 368 1 1 . 1 1 67 67 GLY H H 67 10.267 10.267 9.178 1.089 18231 369 1 1 . 1 1 68 68 GLU N N 68 116.975 116.975 120.083 -3.108 18231 370 1 1 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.615 0.195 18231 371 1 1 . 1 1 68 68 GLU C C 68 178.130 178.130 174.722 3.408 18231 372 1 1 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.998 -0.868 18231 373 1 1 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.658 2.094 18231 374 1 1 . 1 1 68 68 GLU H H 68 7.714 7.714 8.859 -1.145 18231 375 1 1 . 1 1 69 69 VAL N N 69 125.146 125.146 122.196 2.950 18231 376 1 1 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.709 0.540 18231 377 1 1 . 1 1 69 69 VAL C C 69 177.413 177.413 175.022 2.391 18231 378 1 1 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.399 -0.697 18231 379 1 1 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.367 0.119 18231 380 1 1 . 1 1 69 69 VAL H H 69 9.389 9.389 7.864 1.525 18231 381 1 1 . 1 1 70 70 ASP N N 70 129.202 129.202 125.232 3.970 18231 382 1 1 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.115 0.054 18231 383 1 1 . 1 1 70 70 ASP C C 70 178.332 178.332 176.908 1.424 18231 384 1 1 . 1 1 70 70 ASP CA C 70 52.145 52.145 52.321 -0.175 18231 385 1 1 . 1 1 70 70 ASP CB C 70 41.097 41.097 43.739 -2.642 18231 386 1 1 . 1 1 70 70 ASP H H 70 9.109 9.109 8.862 0.247 18231 387 1 1 . 1 1 71 71 PHE N N 71 118.298 118.298 123.492 -5.194 18231 388 1 1 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.726 -0.799 18231 389 1 1 . 1 1 71 71 PHE C C 71 176.763 176.763 176.652 0.111 18231 390 1 1 . 1 1 71 71 PHE CA C 71 63.051 63.051 62.196 0.855 18231 391 1 1 . 1 1 71 71 PHE CB C 71 38.989 38.989 39.096 -0.107 18231 392 1 1 . 1 1 71 71 PHE H H 71 8.938 8.938 8.771 0.167 18231 393 1 1 . 1 1 72 72 GLN N N 72 116.762 116.762 118.047 -1.285 18231 394 1 1 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.776 -0.082 18231 395 1 1 . 1 1 72 72 GLN C C 72 175.208 175.208 178.110 -2.902 18231 396 1 1 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.820 -0.601 18231 397 1 1 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.005 -0.199 18231 398 1 1 . 1 1 72 72 GLN H H 72 7.997 7.997 8.722 -0.725 18231 399 1 1 . 1 1 73 73 GLU N N 73 120.146 120.146 119.493 0.653 18231 400 1 1 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.974 0.122 18231 401 1 1 . 1 1 73 73 GLU C C 73 174.746 174.746 178.841 -4.095 18231 402 1 1 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.403 -1.299 18231 403 1 1 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.392 0.454 18231 404 1 1 . 1 1 73 73 GLU H H 73 8.289 8.289 7.573 0.716 18231 405 1 1 . 1 1 74 74 TYR N N 74 121.506 121.506 121.421 0.085 18231 406 1 1 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.111 0.002 18231 407 1 1 . 1 1 74 74 TYR C C 74 176.925 176.925 177.319 -0.394 18231 408 1 1 . 1 1 74 74 TYR CA C 74 59.101 59.101 60.833 -1.732 18231 409 1 1 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.365 -0.993 18231 410 1 1 . 1 1 74 74 TYR H H 74 8.324 8.324 8.332 -0.008 18231 411 1 1 . 1 1 75 75 VAL N N 75 120.725 120.725 118.672 2.053 18231 412 1 1 . 1 1 75 75 VAL HA H 75 2.873 2.873 2.949 -0.076 18231 413 1 1 . 1 1 75 75 VAL C C 75 176.738 176.738 177.579 -0.841 18231 414 1 1 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.926 -1.046 18231 415 1 1 . 1 1 75 75 VAL CB C 75 31.000 31.000 31.258 -0.258 18231 416 1 1 . 1 1 75 75 VAL H H 75 8.074 8.074 7.960 0.114 18231 417 1 1 . 1 1 76 76 VAL N N 76 120.118 120.118 119.459 0.659 18231 418 1 1 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.480 -0.060 18231 419 1 1 . 1 1 76 76 VAL C C 76 174.620 174.620 177.798 -3.178 18231 420 1 1 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.484 -0.075 18231 421 1 1 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.590 -0.814 18231 422 1 1 . 1 1 76 76 VAL H H 76 7.119 7.119 7.182 -0.063 18231 423 1 1 . 1 1 77 77 LEU N N 77 120.709 120.709 120.844 -0.135 18231 424 1 1 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.011 0.019 18231 425 1 1 . 1 1 77 77 LEU C C 77 175.943 175.943 178.571 -2.628 18231 426 1 1 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.254 -1.314 18231 427 1 1 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.799 -0.691 18231 428 1 1 . 1 1 77 77 LEU H H 77 6.865 6.865 7.908 -1.043 18231 429 1 1 . 1 1 78 78 VAL N N 78 116.930 116.930 116.375 0.555 18231 430 1 1 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.730 -0.590 18231 431 1 1 . 1 1 78 78 VAL C C 78 174.150 174.150 177.713 -3.563 18231 432 1 1 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.041 1.337 18231 433 1 1 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.023 0.207 18231 434 1 1 . 1 1 78 78 VAL H H 78 7.539 7.539 7.986 -0.447 18231 435 1 1 . 1 1 79 79 ALA N N 79 124.551 124.551 123.193 1.358 18231 436 1 1 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.902 -0.210 18231 437 1 1 . 1 1 79 79 ALA C C 79 175.111 175.111 179.234 -4.123 18231 438 1 1 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.277 0.215 18231 439 1 1 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.986 -0.523 18231 440 1 1 . 1 1 79 79 ALA H H 79 8.918 8.918 8.206 0.712 18231 441 1 1 . 1 1 80 80 ALA N N 80 120.223 120.223 120.973 -0.750 18231 442 1 1 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.132 -0.067 18231 443 1 1 . 1 1 80 80 ALA C C 80 171.473 171.473 179.306 -7.833 18231 444 1 1 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.616 0.310 18231 445 1 1 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.424 -0.997 18231 446 1 1 . 1 1 80 80 ALA H H 80 7.760 7.760 7.974 -0.214 18231 447 1 1 . 1 1 81 81 LEU N N 81 119.090 119.090 119.705 -0.615 18231 448 1 1 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.073 0.015 18231 449 1 1 . 1 1 81 81 LEU C C 81 174.008 174.008 178.764 -4.756 18231 450 1 1 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.874 -0.217 18231 451 1 1 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.734 0.496 18231 452 1 1 . 1 1 81 81 LEU H H 81 8.542 8.542 8.060 0.482 18231 453 1 1 . 1 1 82 82 THR N N 82 119.585 119.585 114.034 5.551 18231 454 1 1 . 1 1 82 82 THR HA H 82 4.332 4.332 4.047 0.285 18231 455 1 1 . 1 1 82 82 THR C C 82 176.758 176.758 176.773 -0.015 18231 456 1 1 . 1 1 82 82 THR CA C 82 67.286 67.286 65.538 1.748 18231 457 1 1 . 1 1 82 82 THR CB C 82 68.127 68.127 68.558 -0.431 18231 458 1 1 . 1 1 82 82 THR H H 82 8.421 8.421 8.073 0.348 18231 459 1 1 . 1 1 83 83 VAL N N 83 121.934 121.934 120.768 1.166 18231 460 1 1 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.703 0.012 18231 461 1 1 . 1 1 83 83 VAL C C 83 175.556 175.556 177.797 -2.241 18231 462 1 1 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.539 0.364 18231 463 1 1 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.288 0.258 18231 464 1 1 . 1 1 83 83 VAL H H 83 8.077 8.077 7.453 0.624 18231 465 1 1 . 1 1 84 84 ALA N N 84 121.367 121.367 122.718 -1.351 18231 466 1 1 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.056 0.145 18231 467 1 1 . 1 1 84 84 ALA C C 84 173.936 173.936 179.656 -5.720 18231 468 1 1 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.359 -0.079 18231 469 1 1 . 1 1 84 84 ALA CB C 84 17.607 17.607 18.112 -0.505 18231 470 1 1 . 1 1 84 84 ALA H H 84 7.835 7.835 8.473 -0.638 18231 471 1 1 . 1 1 85 85 CYS N N 85 116.731 116.731 116.606 0.125 18231 472 1 1 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.322 -0.085 18231 473 1 1 . 1 1 85 85 CYS CA C 85 56.651 56.651 63.236 -6.585 18231 474 1 1 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.261 12.709 18231 475 1 1 . 1 1 85 85 CYS H H 85 8.244 8.244 8.024 0.220 18231 476 1 1 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.507 -0.124 18231 477 1 1 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.373 -1.394 18231 478 1 1 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.490 2.001 18231 479 1 1 . 1 1 87 87 ASN N N 87 120.372 120.372 119.025 1.347 18231 480 1 1 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.651 -0.254 18231 481 1 1 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.047 -1.078 18231 482 1 1 . 1 1 87 87 ASN CB C 87 37.388 37.388 37.965 -0.577 18231 483 1 1 . 1 1 87 87 ASN H H 87 7.539 7.539 7.782 -0.243 18231 484 1 1 . 1 1 88 88 PHE N N 88 118.684 118.684 119.561 -0.877 18231 485 1 1 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.248 0.124 18231 486 1 1 . 1 1 88 88 PHE C C 88 177.050 177.050 177.718 -0.668 18231 487 1 1 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.553 -2.180 18231 488 1 1 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.505 0.513 18231 489 1 1 . 1 1 88 88 PHE H H 88 7.862 7.862 8.381 -0.519 18231 490 1 1 . 1 1 89 89 PHE N N 89 118.515 118.515 120.843 -2.328 18231 491 1 1 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.070 0.218 18231 492 1 1 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.849 -2.591 18231 493 1 1 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.869 0.363 18231 494 1 1 . 1 1 89 89 PHE H H 89 7.898 7.898 7.783 0.115 18231 495 1 1 . 1 1 90 90 TRP N N 90 118.964 118.964 117.978 0.986 18231 496 1 1 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.334 0.151 18231 497 1 1 . 1 1 90 90 TRP C C 90 174.481 174.481 178.392 -3.911 18231 498 1 1 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.190 -1.819 18231 499 1 1 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.462 -0.186 18231 500 1 1 . 1 1 90 90 TRP H H 90 7.773 7.773 7.599 0.174 18231 501 1 1 . 1 1 91 91 GLU N N 91 120.150 120.150 116.949 3.201 18231 502 1 1 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.156 -0.099 18231 503 1 1 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.536 0.441 18231 504 1 1 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.903 0.191 18231 505 1 1 . 1 1 91 91 GLU H H 91 7.812 7.812 7.660 0.152 18231 506 1 1 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.284 0.384 18231 507 1 1 . 1 1 92 92 ASN C C 92 175.577 175.577 174.684 0.893 18231 508 1 1 . 1 1 92 92 ASN CA C 92 52.806 52.806 53.739 -0.933 18231 509 1 1 . 1 1 92 92 ASN CB C 92 38.795 38.795 37.161 1.634 18231 510 1 2 . 1 1 2 2 SER N N 2 118.234 118.234 117.271 0.963 18231 511 1 2 . 1 1 2 2 SER HA H 2 4.750 4.750 4.869 -0.119 18231 512 1 2 . 1 1 2 2 SER C C 2 178.105 178.105 175.337 2.768 18231 513 1 2 . 1 1 2 2 SER CA C 2 57.133 57.133 57.587 -0.454 18231 514 1 2 . 1 1 2 2 SER CB C 2 64.624 64.624 65.830 -1.206 18231 515 1 2 . 1 1 2 2 SER H H 2 9.007 9.007 8.387 0.620 18231 516 1 2 . 1 1 3 3 GLU N N 3 123.466 123.466 124.020 -0.554 18231 517 1 2 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.079 0.060 18231 518 1 2 . 1 1 3 3 GLU C C 3 173.854 173.854 178.448 -4.594 18231 519 1 2 . 1 1 3 3 GLU CA C 3 60.110 60.110 59.156 0.954 18231 520 1 2 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.628 -0.728 18231 521 1 2 . 1 1 3 3 GLU H H 3 9.436 9.436 8.971 0.465 18231 522 1 2 . 1 1 4 4 LEU N N 4 119.878 119.878 118.882 0.996 18231 523 1 2 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.002 0.084 18231 524 1 2 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.520 0.390 18231 525 1 2 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.265 0.140 18231 526 1 2 . 1 1 4 4 LEU H H 4 8.891 8.891 8.145 0.746 18231 527 1 2 . 1 1 5 5 GLU HA H 5 4.011 4.011 3.985 0.026 18231 528 1 2 . 1 1 5 5 GLU C C 5 173.709 173.709 178.727 -5.018 18231 529 1 2 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.388 0.208 18231 530 1 2 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.474 -0.419 18231 531 1 2 . 1 1 6 6 THR N N 6 116.614 116.614 116.764 -0.150 18231 532 1 2 . 1 1 6 6 THR HA H 6 4.019 4.019 3.937 0.082 18231 533 1 2 . 1 1 6 6 THR C C 6 176.965 176.965 176.362 0.603 18231 534 1 2 . 1 1 6 6 THR CA C 6 66.175 66.175 66.706 -0.531 18231 535 1 2 . 1 1 6 6 THR CB C 6 68.280 68.280 68.683 -0.403 18231 536 1 2 . 1 1 6 6 THR H H 6 8.316 8.316 7.463 0.853 18231 537 1 2 . 1 1 7 7 ALA N N 7 126.118 126.118 124.874 1.244 18231 538 1 2 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.146 -0.010 18231 539 1 2 . 1 1 7 7 ALA C C 7 173.544 173.544 179.478 -5.934 18231 540 1 2 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.973 -0.135 18231 541 1 2 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.407 -0.957 18231 542 1 2 . 1 1 7 7 ALA H H 7 8.167 8.167 7.634 0.533 18231 543 1 2 . 1 1 8 8 MET N N 8 117.610 117.610 117.147 0.463 18231 544 1 2 . 1 1 8 8 MET HA H 8 4.174 4.174 4.085 0.089 18231 545 1 2 . 1 1 8 8 MET C C 8 175.513 175.513 178.919 -3.406 18231 546 1 2 . 1 1 8 8 MET CA C 8 61.988 61.988 59.253 2.735 18231 547 1 2 . 1 1 8 8 MET CB C 8 26.277 26.277 32.506 -6.229 18231 548 1 2 . 1 1 8 8 MET H H 8 8.286 8.286 7.690 0.596 18231 549 1 2 . 1 1 9 9 GLU N N 9 117.751 117.751 118.476 -0.725 18231 550 1 2 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.159 -0.239 18231 551 1 2 . 1 1 9 9 GLU C C 9 174.479 174.479 179.069 -4.590 18231 552 1 2 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.138 0.281 18231 553 1 2 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.340 -0.326 18231 554 1 2 . 1 1 9 9 GLU H H 9 8.055 8.055 8.096 -0.041 18231 555 1 2 . 1 1 10 10 THR N N 10 117.936 117.936 114.495 3.441 18231 556 1 2 . 1 1 10 10 THR HA H 10 4.083 4.083 4.121 -0.038 18231 557 1 2 . 1 1 10 10 THR C C 10 177.781 177.781 176.713 1.068 18231 558 1 2 . 1 1 10 10 THR CA C 10 66.869 66.869 66.268 0.601 18231 559 1 2 . 1 1 10 10 THR CB C 10 67.663 67.663 68.661 -0.998 18231 560 1 2 . 1 1 10 10 THR H H 10 8.398 8.398 8.277 0.121 18231 561 1 2 . 1 1 11 11 LEU N N 11 119.632 119.632 122.257 -2.625 18231 562 1 2 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.355 -0.399 18231 563 1 2 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.475 0.393 18231 564 1 2 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.297 0.300 18231 565 1 2 . 1 1 11 11 LEU H H 11 8.134 8.134 7.572 0.562 18231 566 1 2 . 1 1 12 12 ILE N N 12 119.532 119.532 119.663 -0.131 18231 567 1 2 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.270 0.698 18231 568 1 2 . 1 1 12 12 ILE C C 12 175.378 175.378 178.123 -2.745 18231 569 1 2 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.696 -0.324 18231 570 1 2 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.181 1.750 18231 571 1 2 . 1 1 12 12 ILE H H 12 7.751 7.751 7.683 0.068 18231 572 1 2 . 1 1 13 13 ASN N N 13 121.617 121.617 119.081 2.536 18231 573 1 2 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.402 0.125 18231 574 1 2 . 1 1 13 13 ASN C C 13 174.457 174.457 177.811 -3.354 18231 575 1 2 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.304 -0.244 18231 576 1 2 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.700 -1.044 18231 577 1 2 . 1 1 13 13 ASN H H 13 9.012 9.012 8.408 0.604 18231 578 1 2 . 1 1 14 14 VAL N N 14 120.538 120.538 118.437 2.101 18231 579 1 2 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.904 -0.089 18231 580 1 2 . 1 1 14 14 VAL C C 14 176.194 176.194 178.182 -1.988 18231 581 1 2 . 1 1 14 14 VAL CA C 14 66.080 66.080 65.468 0.612 18231 582 1 2 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.167 0.404 18231 583 1 2 . 1 1 14 14 VAL H H 14 8.951 8.951 8.414 0.537 18231 584 1 2 . 1 1 15 15 PHE N N 15 117.397 117.397 123.177 -5.780 18231 585 1 2 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.197 -0.728 18231 586 1 2 . 1 1 15 15 PHE C C 15 176.028 176.028 177.050 -1.022 18231 587 1 2 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.910 -0.747 18231 588 1 2 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.357 -0.422 18231 589 1 2 . 1 1 15 15 PHE H H 15 6.953 6.953 8.811 -1.858 18231 590 1 2 . 1 1 16 16 HIS N N 16 115.032 115.032 120.022 -4.990 18231 591 1 2 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.205 0.631 18231 592 1 2 . 1 1 16 16 HIS C C 16 176.028 176.028 177.304 -1.276 18231 593 1 2 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.628 -1.611 18231 594 1 2 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.887 -1.607 18231 595 1 2 . 1 1 16 16 HIS H H 16 7.736 7.736 8.842 -1.106 18231 596 1 2 . 1 1 17 17 ALA N N 17 123.252 123.252 120.969 2.283 18231 597 1 2 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.810 0.238 18231 598 1 2 . 1 1 17 17 ALA C C 17 174.507 174.507 179.536 -5.029 18231 599 1 2 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.946 -1.251 18231 600 1 2 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.974 -0.619 18231 601 1 2 . 1 1 17 17 ALA H H 17 8.070 8.070 8.031 0.039 18231 602 1 2 . 1 1 18 18 HIS N N 18 113.812 113.812 117.244 -3.432 18231 603 1 2 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.159 0.231 18231 604 1 2 . 1 1 18 18 HIS C C 18 177.747 177.747 178.583 -0.836 18231 605 1 2 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.390 -2.455 18231 606 1 2 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.585 2.555 18231 607 1 2 . 1 1 18 18 HIS H H 18 7.043 7.043 8.012 -0.969 18231 608 1 2 . 1 1 19 19 SER N N 19 113.634 113.634 115.475 -1.841 18231 609 1 2 . 1 1 19 19 SER HA H 19 3.673 3.673 4.090 -0.417 18231 610 1 2 . 1 1 19 19 SER C C 19 176.511 176.511 176.935 -0.424 18231 611 1 2 . 1 1 19 19 SER CA C 19 60.926 60.926 60.941 -0.015 18231 612 1 2 . 1 1 19 19 SER CB C 19 60.919 60.919 62.590 -1.671 18231 613 1 2 . 1 1 19 19 SER H H 19 8.489 8.489 8.106 0.383 18231 614 1 2 . 1 1 20 20 GLY N N 20 111.572 111.572 108.842 2.730 18231 615 1 2 . 1 1 20 20 GLY C C 20 179.798 179.798 175.506 4.292 18231 616 1 2 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.373 -1.281 18231 617 1 2 . 1 1 20 20 GLY H H 20 7.734 7.734 8.130 -0.396 18231 618 1 2 . 1 1 21 21 LYS N N 21 122.204 122.204 121.099 1.105 18231 619 1 2 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.068 -0.144 18231 620 1 2 . 1 1 21 21 LYS C C 21 176.162 176.162 176.822 -0.660 18231 621 1 2 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.644 0.452 18231 622 1 2 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.732 -0.832 18231 623 1 2 . 1 1 21 21 LYS H H 21 7.196 7.196 7.579 -0.383 18231 624 1 2 . 1 1 22 22 GLU N N 22 115.840 115.840 117.706 -1.866 18231 625 1 2 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.479 0.188 18231 626 1 2 . 1 1 22 22 GLU C C 22 176.511 176.511 176.338 0.173 18231 627 1 2 . 1 1 22 22 GLU CA C 22 53.781 53.781 54.654 -0.873 18231 628 1 2 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.172 3.469 18231 629 1 2 . 1 1 22 22 GLU H H 22 9.363 9.363 7.518 1.845 18231 630 1 2 . 1 1 23 23 GLY N N 23 111.558 111.558 110.613 0.945 18231 631 1 2 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.447 0.053 18231 632 1 2 . 1 1 23 23 GLY H H 23 7.710 7.710 7.995 -0.285 18231 633 1 2 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.404 0.004 18231 634 1 2 . 1 1 24 24 ASP C C 24 173.495 173.495 176.725 -3.230 18231 635 1 2 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.788 -0.071 18231 636 1 2 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.580 2.480 18231 637 1 2 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.855 0.432 18231 638 1 2 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.330 -1.801 18231 639 1 2 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.397 -1.488 18231 640 1 2 . 1 1 26 26 TYR N N 26 119.467 119.467 114.754 4.713 18231 641 1 2 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.521 0.190 18231 642 1 2 . 1 1 26 26 TYR C C 26 179.682 179.682 176.099 3.583 18231 643 1 2 . 1 1 26 26 TYR CA C 26 55.824 55.824 60.068 -4.244 18231 644 1 2 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.464 -0.793 18231 645 1 2 . 1 1 26 26 TYR H H 26 9.377 9.377 8.459 0.918 18231 646 1 2 . 1 1 27 27 LYS N N 27 114.770 114.770 118.594 -3.824 18231 647 1 2 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.680 0.442 18231 648 1 2 . 1 1 27 27 LYS C C 27 178.721 178.721 175.055 3.666 18231 649 1 2 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.876 -0.149 18231 650 1 2 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.311 3.178 18231 651 1 2 . 1 1 27 27 LYS H H 27 7.100 7.100 7.642 -0.542 18231 652 1 2 . 1 1 28 28 LEU N N 28 125.858 125.858 126.881 -1.023 18231 653 1 2 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.958 0.225 18231 654 1 2 . 1 1 28 28 LEU C C 28 177.490 177.490 175.250 2.240 18231 655 1 2 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.493 -1.160 18231 656 1 2 . 1 1 28 28 LEU CB C 28 42.586 42.586 45.248 -2.662 18231 657 1 2 . 1 1 28 28 LEU H H 28 9.750 9.750 8.447 1.303 18231 658 1 2 . 1 1 29 29 SER N N 29 120.926 120.926 119.274 1.652 18231 659 1 2 . 1 1 29 29 SER HA H 29 4.560 4.560 4.760 -0.200 18231 660 1 2 . 1 1 29 29 SER C C 29 178.943 178.943 174.999 3.944 18231 661 1 2 . 1 1 29 29 SER CA C 29 55.907 55.907 56.024 -0.117 18231 662 1 2 . 1 1 29 29 SER CB C 29 65.035 65.035 64.750 0.285 18231 663 1 2 . 1 1 29 29 SER H H 29 9.907 9.907 8.294 1.613 18231 664 1 2 . 1 1 30 30 LYS N N 30 120.263 120.263 125.944 -5.681 18231 665 1 2 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.940 -0.089 18231 666 1 2 . 1 1 30 30 LYS C C 30 175.519 175.519 178.339 -2.820 18231 667 1 2 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.282 0.378 18231 668 1 2 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.469 -0.731 18231 669 1 2 . 1 1 30 30 LYS H H 30 8.838 8.838 9.022 -0.184 18231 670 1 2 . 1 1 31 31 LYS N N 31 118.292 118.292 117.787 0.505 18231 671 1 2 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.007 -0.085 18231 672 1 2 . 1 1 31 31 LYS C C 31 174.664 174.664 179.046 -4.382 18231 673 1 2 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.581 -0.283 18231 674 1 2 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.135 0.530 18231 675 1 2 . 1 1 31 31 LYS H H 31 7.903 7.903 7.880 0.023 18231 676 1 2 . 1 1 32 32 GLU N N 32 119.243 119.243 118.713 0.530 18231 677 1 2 . 1 1 32 32 GLU HA H 32 3.907 3.907 3.984 -0.077 18231 678 1 2 . 1 1 32 32 GLU C C 32 174.836 174.836 178.935 -4.099 18231 679 1 2 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.006 -0.690 18231 680 1 2 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.321 1.556 18231 681 1 2 . 1 1 32 32 GLU H H 32 7.499 7.499 7.465 0.034 18231 682 1 2 . 1 1 33 33 LEU N N 33 119.432 119.432 121.300 -1.868 18231 683 1 2 . 1 1 33 33 LEU HA H 33 3.918 3.918 3.885 0.033 18231 684 1 2 . 1 1 33 33 LEU C C 33 175.740 175.740 177.787 -2.047 18231 685 1 2 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.808 -0.539 18231 686 1 2 . 1 1 33 33 LEU CB C 33 40.981 40.981 42.034 -1.053 18231 687 1 2 . 1 1 33 33 LEU H H 33 9.062 9.062 8.350 0.712 18231 688 1 2 . 1 1 34 34 LYS N N 34 119.090 119.090 118.861 0.229 18231 689 1 2 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.814 -0.160 18231 690 1 2 . 1 1 34 34 LYS C C 34 175.916 175.916 178.521 -2.605 18231 691 1 2 . 1 1 34 34 LYS CA C 34 60.284 60.284 59.849 0.435 18231 692 1 2 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.094 -0.694 18231 693 1 2 . 1 1 34 34 LYS H H 34 8.236 8.236 8.463 -0.227 18231 694 1 2 . 1 1 35 35 GLU N N 35 117.482 117.482 118.745 -1.263 18231 695 1 2 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.955 0.042 18231 696 1 2 . 1 1 35 35 GLU C C 35 174.549 174.549 178.695 -4.146 18231 697 1 2 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.139 0.090 18231 698 1 2 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.344 -0.511 18231 699 1 2 . 1 1 35 35 GLU H H 35 7.734 7.734 7.468 0.266 18231 700 1 2 . 1 1 36 36 LEU N N 36 124.601 124.601 119.859 4.742 18231 701 1 2 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.859 -1.171 18231 702 1 2 . 1 1 36 36 LEU C C 36 174.780 174.780 178.983 -4.203 18231 703 1 2 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.498 1.829 18231 704 1 2 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.898 0.737 18231 705 1 2 . 1 1 36 36 LEU H H 36 8.308 8.308 7.871 0.437 18231 706 1 2 . 1 1 37 37 LEU N N 37 118.901 118.901 118.847 0.054 18231 707 1 2 . 1 1 37 37 LEU HA H 37 3.733 3.733 4.039 -0.306 18231 708 1 2 . 1 1 37 37 LEU C C 37 174.771 174.771 179.657 -4.886 18231 709 1 2 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.729 0.184 18231 710 1 2 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.452 -0.166 18231 711 1 2 . 1 1 37 37 LEU H H 37 8.663 8.663 8.381 0.282 18231 712 1 2 . 1 1 38 38 GLN N N 38 114.582 114.582 118.218 -3.636 18231 713 1 2 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.009 -0.052 18231 714 1 2 . 1 1 38 38 GLN C C 38 175.747 175.747 177.622 -1.875 18231 715 1 2 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.841 -0.670 18231 716 1 2 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.830 -0.201 18231 717 1 2 . 1 1 38 38 GLN H H 38 8.507 8.507 8.289 0.218 18231 718 1 2 . 1 1 39 39 THR N N 39 110.227 110.227 113.716 -3.489 18231 719 1 2 . 1 1 39 39 THR HA H 39 4.252 4.252 3.829 0.423 18231 720 1 2 . 1 1 39 39 THR C C 39 176.966 176.966 175.772 1.194 18231 721 1 2 . 1 1 39 39 THR CA C 39 64.485 64.485 65.428 -0.943 18231 722 1 2 . 1 1 39 39 THR CB C 39 69.254 69.254 68.621 0.633 18231 723 1 2 . 1 1 39 39 THR H H 39 7.845 7.845 7.767 0.078 18231 724 1 2 . 1 1 40 40 GLU N N 40 117.400 117.400 119.779 -2.379 18231 725 1 2 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.165 -0.015 18231 726 1 2 . 1 1 40 40 GLU C C 40 177.343 177.343 176.740 0.603 18231 727 1 2 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.394 -1.825 18231 728 1 2 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.196 -0.615 18231 729 1 2 . 1 1 40 40 GLU H H 40 8.460 8.460 7.976 0.484 18231 730 1 2 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.707 0.320 18231 731 1 2 . 1 1 41 41 LEU C C 41 176.458 176.458 178.319 -1.861 18231 732 1 2 . 1 1 41 41 LEU CA C 41 52.435 52.435 52.776 -0.341 18231 733 1 2 . 1 1 41 41 LEU CB C 41 43.307 43.307 41.585 1.722 18231 734 1 2 . 1 1 42 42 SER N N 42 116.528 116.528 121.647 -5.119 18231 735 1 2 . 1 1 42 42 SER HA H 42 4.062 4.062 4.482 -0.420 18231 736 1 2 . 1 1 42 42 SER CA C 42 61.213 61.213 60.888 0.325 18231 737 1 2 . 1 1 42 42 SER CB C 42 62.378 62.378 62.918 -0.540 18231 738 1 2 . 1 1 42 42 SER H H 42 8.246 8.246 9.084 -0.838 18231 739 1 2 . 1 1 43 43 GLY N N 43 111.367 111.367 109.276 2.091 18231 740 1 2 . 1 1 43 43 GLY C C 43 177.750 177.750 175.628 2.122 18231 741 1 2 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.056 -0.318 18231 742 1 2 . 1 1 43 43 GLY H H 43 8.850 8.850 8.650 0.200 18231 743 1 2 . 1 1 44 44 PHE N N 44 122.213 122.213 121.054 1.159 18231 744 1 2 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.098 0.265 18231 745 1 2 . 1 1 44 44 PHE C C 44 176.428 176.428 176.454 -0.026 18231 746 1 2 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.342 0.171 18231 747 1 2 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.041 1.291 18231 748 1 2 . 1 1 44 44 PHE H H 44 7.936 7.936 7.999 -0.063 18231 749 1 2 . 1 1 45 45 LEU N N 45 119.395 119.395 120.049 -0.654 18231 750 1 2 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.343 0.688 18231 751 1 2 . 1 1 45 45 LEU C C 45 177.212 177.212 179.484 -2.272 18231 752 1 2 . 1 1 45 45 LEU CA C 45 57.368 57.368 56.871 0.497 18231 753 1 2 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.747 -0.706 18231 754 1 2 . 1 1 45 45 LEU H H 45 8.133 8.133 6.644 1.489 18231 755 1 2 . 1 1 46 46 ASP N N 46 117.384 117.384 119.269 -1.885 18231 756 1 2 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.365 0.017 18231 757 1 2 . 1 1 46 46 ASP C C 46 176.684 176.684 178.421 -1.737 18231 758 1 2 . 1 1 46 46 ASP CA C 46 55.312 55.312 57.108 -1.796 18231 759 1 2 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.921 0.619 18231 760 1 2 . 1 1 46 46 ASP H H 46 8.139 8.139 8.478 -0.339 18231 761 1 2 . 1 1 47 47 ALA N N 47 121.052 121.052 121.871 -0.819 18231 762 1 2 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.086 0.078 18231 763 1 2 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.581 -2.036 18231 764 1 2 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.397 -0.048 18231 765 1 2 . 1 1 47 47 ALA H H 47 7.637 7.637 7.827 -0.190 18231 766 1 2 . 1 1 48 48 GLN N N 48 116.271 116.271 118.136 -1.865 18231 767 1 2 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.048 0.092 18231 768 1 2 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.622 -3.643 18231 769 1 2 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.438 -0.367 18231 770 1 2 . 1 1 48 48 GLN H H 48 7.661 7.661 7.757 -0.096 18231 771 1 2 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.102 0.027 18231 772 1 2 . 1 1 49 49 LYS C C 49 177.345 177.345 177.105 0.240 18231 773 1 2 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.102 -1.855 18231 774 1 2 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.733 -0.953 18231 775 1 2 . 1 1 50 50 ASP N N 50 118.526 118.526 118.633 -0.107 18231 776 1 2 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.876 -0.219 18231 777 1 2 . 1 1 50 50 ASP C C 50 177.422 177.422 175.787 1.635 18231 778 1 2 . 1 1 50 50 ASP CA C 50 53.834 53.834 53.259 0.575 18231 779 1 2 . 1 1 50 50 ASP CB C 50 41.689 41.689 40.961 0.728 18231 780 1 2 . 1 1 50 50 ASP H H 50 7.975 7.975 7.764 0.211 18231 781 1 2 . 1 1 51 51 VAL N N 51 120.868 120.868 123.143 -2.275 18231 782 1 2 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.674 0.306 18231 783 1 2 . 1 1 51 51 VAL C C 51 177.212 177.212 176.536 0.676 18231 784 1 2 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.462 -2.113 18231 785 1 2 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.217 -0.481 18231 786 1 2 . 1 1 51 51 VAL H H 51 8.225 8.225 8.339 -0.114 18231 787 1 2 . 1 1 52 52 ASP N N 52 121.054 121.054 120.497 0.557 18231 788 1 2 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.337 0.441 18231 789 1 2 . 1 1 52 52 ASP C C 52 176.912 176.912 177.405 -0.493 18231 790 1 2 . 1 1 52 52 ASP CA C 52 53.389 53.389 56.849 -3.460 18231 791 1 2 . 1 1 52 52 ASP CB C 52 40.072 40.072 40.350 -0.278 18231 792 1 2 . 1 1 52 52 ASP H H 52 8.403 8.403 8.250 0.153 18231 793 1 2 . 1 1 53 53 ALA N N 53 123.449 123.449 121.795 1.654 18231 794 1 2 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.080 -0.143 18231 795 1 2 . 1 1 53 53 ALA C C 53 174.124 174.124 179.658 -5.534 18231 796 1 2 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.817 0.146 18231 797 1 2 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.371 0.502 18231 798 1 2 . 1 1 53 53 ALA H H 53 7.757 7.757 7.816 -0.059 18231 799 1 2 . 1 1 54 54 VAL N N 54 116.105 116.105 118.687 -2.582 18231 800 1 2 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.540 -0.082 18231 801 1 2 . 1 1 54 54 VAL C C 54 176.953 176.953 177.417 -0.464 18231 802 1 2 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.738 -0.843 18231 803 1 2 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.387 -0.807 18231 804 1 2 . 1 1 54 54 VAL H H 54 8.281 8.281 8.101 0.180 18231 805 1 2 . 1 1 55 55 ASP N N 55 120.466 120.466 119.814 0.652 18231 806 1 2 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.389 -0.225 18231 807 1 2 . 1 1 55 55 ASP C C 55 174.997 174.997 178.370 -3.373 18231 808 1 2 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.317 -0.117 18231 809 1 2 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.457 0.063 18231 810 1 2 . 1 1 55 55 ASP H H 55 7.667 7.667 8.092 -0.425 18231 811 1 2 . 1 1 56 56 LYS N N 56 119.065 119.065 119.462 -0.397 18231 812 1 2 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.019 -0.040 18231 813 1 2 . 1 1 56 56 LYS C C 56 174.602 174.602 179.337 -4.735 18231 814 1 2 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.475 -0.930 18231 815 1 2 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.513 -0.912 18231 816 1 2 . 1 1 56 56 LYS H H 56 7.628 7.628 7.417 0.211 18231 817 1 2 . 1 1 57 57 VAL N N 57 119.756 119.756 119.851 -0.095 18231 818 1 2 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.767 -0.040 18231 819 1 2 . 1 1 57 57 VAL C C 57 175.782 175.782 177.921 -2.139 18231 820 1 2 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.404 -0.805 18231 821 1 2 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.776 -0.529 18231 822 1 2 . 1 1 57 57 VAL H H 57 7.920 7.920 8.043 -0.123 18231 823 1 2 . 1 1 58 58 MET N N 58 118.541 118.541 119.036 -0.495 18231 824 1 2 . 1 1 58 58 MET HA H 58 3.936 3.936 4.066 -0.130 18231 825 1 2 . 1 1 58 58 MET C C 58 176.330 176.330 177.729 -1.399 18231 826 1 2 . 1 1 58 58 MET CA C 58 58.620 58.620 58.956 -0.336 18231 827 1 2 . 1 1 58 58 MET CB C 58 32.002 32.002 32.359 -0.357 18231 828 1 2 . 1 1 58 58 MET H H 58 8.426 8.426 8.436 -0.010 18231 829 1 2 . 1 1 59 59 LYS N N 59 116.084 116.084 119.177 -3.093 18231 830 1 2 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.940 -0.004 18231 831 1 2 . 1 1 59 59 LYS C C 59 176.918 176.918 178.032 -1.114 18231 832 1 2 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.675 -1.001 18231 833 1 2 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.346 0.256 18231 834 1 2 . 1 1 59 59 LYS H H 59 7.623 7.623 8.207 -0.584 18231 835 1 2 . 1 1 60 60 GLU N N 60 117.227 117.227 116.594 0.633 18231 836 1 2 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.128 -0.073 18231 837 1 2 . 1 1 60 60 GLU C C 60 175.146 175.146 178.168 -3.022 18231 838 1 2 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.344 -0.313 18231 839 1 2 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.631 -0.316 18231 840 1 2 . 1 1 60 60 GLU H H 60 7.592 7.592 8.018 -0.426 18231 841 1 2 . 1 1 61 61 LEU N N 61 116.051 116.051 119.118 -3.067 18231 842 1 2 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.146 0.217 18231 843 1 2 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.440 -1.581 18231 844 1 2 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.801 0.776 18231 845 1 2 . 1 1 61 61 LEU H H 61 8.045 8.045 7.251 0.794 18231 846 1 2 . 1 1 62 62 ASP N N 62 116.891 116.891 116.584 0.307 18231 847 1 2 . 1 1 62 62 ASP HA H 62 4.700 4.700 5.047 -0.347 18231 848 1 2 . 1 1 62 62 ASP C C 62 176.806 176.806 176.417 0.389 18231 849 1 2 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.691 -0.575 18231 850 1 2 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.827 -2.176 18231 851 1 2 . 1 1 62 62 ASP H H 62 8.008 8.008 7.920 0.088 18231 852 1 2 . 1 1 63 63 GLU N N 63 129.185 129.185 127.154 2.031 18231 853 1 2 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.077 -0.023 18231 854 1 2 . 1 1 63 63 GLU C C 63 175.826 175.826 177.528 -1.702 18231 855 1 2 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.676 -0.358 18231 856 1 2 . 1 1 63 63 GLU CB C 63 30.218 30.218 30.147 0.071 18231 857 1 2 . 1 1 63 63 GLU H H 63 8.347 8.347 8.599 -0.252 18231 858 1 2 . 1 1 64 64 ASN N N 64 112.618 112.618 114.785 -2.167 18231 859 1 2 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.731 0.017 18231 860 1 2 . 1 1 64 64 ASN C C 64 176.855 176.855 175.790 1.065 18231 861 1 2 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.324 -0.698 18231 862 1 2 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.361 -1.488 18231 863 1 2 . 1 1 64 64 ASN H H 64 7.978 7.978 7.916 0.062 18231 864 1 2 . 1 1 65 65 GLY N N 65 109.111 109.111 108.499 0.612 18231 865 1 2 . 1 1 65 65 GLY C C 65 178.426 178.426 175.404 3.022 18231 866 1 2 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.395 0.644 18231 867 1 2 . 1 1 65 65 GLY H H 65 7.543 7.543 7.845 -0.302 18231 868 1 2 . 1 1 66 66 ASP N N 66 119.205 119.205 121.041 -1.836 18231 869 1 2 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.373 0.168 18231 870 1 2 . 1 1 66 66 ASP C C 66 176.015 176.015 178.129 -2.114 18231 871 1 2 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.340 -1.501 18231 872 1 2 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.168 -1.292 18231 873 1 2 . 1 1 66 66 ASP H H 66 8.113 8.113 8.409 -0.296 18231 874 1 2 . 1 1 67 67 GLY N N 67 113.254 113.254 108.488 4.766 18231 875 1 2 . 1 1 67 67 GLY C C 67 180.780 180.780 173.351 7.429 18231 876 1 2 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.963 0.250 18231 877 1 2 . 1 1 67 67 GLY H H 67 10.267 10.267 9.138 1.129 18231 878 1 2 . 1 1 68 68 GLU N N 68 116.975 116.975 119.297 -2.322 18231 879 1 2 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.688 0.122 18231 880 1 2 . 1 1 68 68 GLU C C 68 178.130 178.130 174.445 3.685 18231 881 1 2 . 1 1 68 68 GLU CA C 68 54.130 54.130 55.083 -0.953 18231 882 1 2 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.413 2.340 18231 883 1 2 . 1 1 68 68 GLU H H 68 7.714 7.714 8.895 -1.181 18231 884 1 2 . 1 1 69 69 VAL N N 69 125.146 125.146 121.932 3.214 18231 885 1 2 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.697 0.552 18231 886 1 2 . 1 1 69 69 VAL C C 69 177.413 177.413 175.014 2.399 18231 887 1 2 . 1 1 69 69 VAL CA C 69 60.702 60.702 60.584 0.118 18231 888 1 2 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.203 0.284 18231 889 1 2 . 1 1 69 69 VAL H H 69 9.389 9.389 8.224 1.165 18231 890 1 2 . 1 1 70 70 ASP N N 70 129.202 129.202 126.446 2.756 18231 891 1 2 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.126 0.043 18231 892 1 2 . 1 1 70 70 ASP C C 70 178.332 178.332 177.135 1.197 18231 893 1 2 . 1 1 70 70 ASP CA C 70 52.145 52.145 52.597 -0.452 18231 894 1 2 . 1 1 70 70 ASP CB C 70 41.097 41.097 43.434 -2.337 18231 895 1 2 . 1 1 70 70 ASP H H 70 9.109 9.109 8.284 0.825 18231 896 1 2 . 1 1 71 71 PHE N N 71 118.298 118.298 123.649 -5.351 18231 897 1 2 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.594 -0.667 18231 898 1 2 . 1 1 71 71 PHE C C 71 176.763 176.763 176.703 0.060 18231 899 1 2 . 1 1 71 71 PHE CA C 71 63.051 63.051 62.010 1.041 18231 900 1 2 . 1 1 71 71 PHE CB C 71 38.989 38.989 39.124 -0.135 18231 901 1 2 . 1 1 71 71 PHE H H 71 8.938 8.938 8.766 0.172 18231 902 1 2 . 1 1 72 72 GLN N N 72 116.762 116.762 117.682 -0.920 18231 903 1 2 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.809 -0.115 18231 904 1 2 . 1 1 72 72 GLN C C 72 175.208 175.208 178.271 -3.063 18231 905 1 2 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.767 -0.548 18231 906 1 2 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.061 -0.255 18231 907 1 2 . 1 1 72 72 GLN H H 72 7.997 7.997 8.891 -0.894 18231 908 1 2 . 1 1 73 73 GLU N N 73 120.146 120.146 120.169 -0.023 18231 909 1 2 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.976 0.120 18231 910 1 2 . 1 1 73 73 GLU C C 73 174.746 174.746 178.750 -4.004 18231 911 1 2 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.407 -1.303 18231 912 1 2 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.656 0.190 18231 913 1 2 . 1 1 73 73 GLU H H 73 8.289 8.289 7.751 0.538 18231 914 1 2 . 1 1 74 74 TYR N N 74 121.506 121.506 121.279 0.227 18231 915 1 2 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.143 -0.030 18231 916 1 2 . 1 1 74 74 TYR C C 74 176.925 176.925 177.518 -0.593 18231 917 1 2 . 1 1 74 74 TYR CA C 74 59.101 59.101 60.749 -1.648 18231 918 1 2 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.445 -1.073 18231 919 1 2 . 1 1 74 74 TYR H H 74 8.324 8.324 8.324 -0.000 18231 920 1 2 . 1 1 75 75 VAL N N 75 120.725 120.725 118.434 2.291 18231 921 1 2 . 1 1 75 75 VAL HA H 75 2.873 2.873 2.945 -0.072 18231 922 1 2 . 1 1 75 75 VAL C C 75 176.738 176.738 177.649 -0.911 18231 923 1 2 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.855 -0.975 18231 924 1 2 . 1 1 75 75 VAL CB C 75 31.000 31.000 31.116 -0.117 18231 925 1 2 . 1 1 75 75 VAL H H 75 8.074 8.074 8.149 -0.075 18231 926 1 2 . 1 1 76 76 VAL N N 76 120.118 120.118 119.542 0.576 18231 927 1 2 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.564 -0.144 18231 928 1 2 . 1 1 76 76 VAL C C 76 174.620 174.620 177.818 -3.198 18231 929 1 2 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.542 -0.133 18231 930 1 2 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.326 -0.550 18231 931 1 2 . 1 1 76 76 VAL H H 76 7.119 7.119 7.298 -0.179 18231 932 1 2 . 1 1 77 77 LEU N N 77 120.709 120.709 120.790 -0.081 18231 933 1 2 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.036 -0.006 18231 934 1 2 . 1 1 77 77 LEU C C 77 175.943 175.943 178.590 -2.647 18231 935 1 2 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.287 -1.347 18231 936 1 2 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.797 -0.688 18231 937 1 2 . 1 1 77 77 LEU H H 77 6.865 6.865 8.015 -1.150 18231 938 1 2 . 1 1 78 78 VAL N N 78 116.930 116.930 116.316 0.614 18231 939 1 2 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.714 -0.574 18231 940 1 2 . 1 1 78 78 VAL C C 78 174.150 174.150 177.402 -3.252 18231 941 1 2 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.746 0.632 18231 942 1 2 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.674 -0.445 18231 943 1 2 . 1 1 78 78 VAL H H 78 7.539 7.539 7.938 -0.399 18231 944 1 2 . 1 1 79 79 ALA N N 79 124.551 124.551 122.371 2.180 18231 945 1 2 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.898 -0.206 18231 946 1 2 . 1 1 79 79 ALA C C 79 175.111 175.111 179.324 -4.213 18231 947 1 2 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.184 0.308 18231 948 1 2 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.834 -0.371 18231 949 1 2 . 1 1 79 79 ALA H H 79 8.918 8.918 8.106 0.812 18231 950 1 2 . 1 1 80 80 ALA N N 80 120.223 120.223 120.538 -0.315 18231 951 1 2 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.049 0.016 18231 952 1 2 . 1 1 80 80 ALA C C 80 171.473 171.473 179.134 -7.661 18231 953 1 2 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.504 0.422 18231 954 1 2 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.582 -1.157 18231 955 1 2 . 1 1 80 80 ALA H H 80 7.760 7.760 8.036 -0.276 18231 956 1 2 . 1 1 81 81 LEU N N 81 119.090 119.090 119.797 -0.707 18231 957 1 2 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.993 0.095 18231 958 1 2 . 1 1 81 81 LEU C C 81 174.008 174.008 178.461 -4.453 18231 959 1 2 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.743 -0.086 18231 960 1 2 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.586 0.645 18231 961 1 2 . 1 1 81 81 LEU H H 81 8.542 8.542 8.034 0.508 18231 962 1 2 . 1 1 82 82 THR N N 82 119.585 119.585 112.017 7.568 18231 963 1 2 . 1 1 82 82 THR HA H 82 4.332 4.332 3.948 0.384 18231 964 1 2 . 1 1 82 82 THR C C 82 176.758 176.758 176.566 0.192 18231 965 1 2 . 1 1 82 82 THR CA C 82 67.286 67.286 65.871 1.415 18231 966 1 2 . 1 1 82 82 THR CB C 82 68.127 68.127 68.733 -0.606 18231 967 1 2 . 1 1 82 82 THR H H 82 8.421 8.421 8.042 0.379 18231 968 1 2 . 1 1 83 83 VAL N N 83 121.934 121.934 122.210 -0.276 18231 969 1 2 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.736 -0.021 18231 970 1 2 . 1 1 83 83 VAL C C 83 175.556 175.556 177.737 -2.181 18231 971 1 2 . 1 1 83 83 VAL CA C 83 66.903 66.903 65.906 0.997 18231 972 1 2 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.240 0.306 18231 973 1 2 . 1 1 83 83 VAL H H 83 8.077 8.077 7.309 0.768 18231 974 1 2 . 1 1 84 84 ALA N N 84 121.367 121.367 122.606 -1.239 18231 975 1 2 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.133 0.068 18231 976 1 2 . 1 1 84 84 ALA C C 84 173.936 173.936 179.334 -5.398 18231 977 1 2 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.223 0.057 18231 978 1 2 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.852 -0.245 18231 979 1 2 . 1 1 84 84 ALA H H 84 7.835 7.835 8.283 -0.448 18231 980 1 2 . 1 1 85 85 CYS N N 85 116.731 116.731 116.252 0.479 18231 981 1 2 . 1 1 85 85 CYS HA H 85 4.237 4.237 3.578 0.659 18231 982 1 2 . 1 1 85 85 CYS CA C 85 56.651 56.651 63.528 -6.877 18231 983 1 2 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.455 12.515 18231 984 1 2 . 1 1 85 85 CYS H H 85 8.244 8.244 7.718 0.526 18231 985 1 2 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.664 -0.281 18231 986 1 2 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.494 -1.515 18231 987 1 2 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.547 1.944 18231 988 1 2 . 1 1 87 87 ASN N N 87 120.372 120.372 119.349 1.023 18231 989 1 2 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.827 -0.430 18231 990 1 2 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.395 -1.425 18231 991 1 2 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.622 -1.234 18231 992 1 2 . 1 1 87 87 ASN H H 87 7.539 7.539 7.872 -0.333 18231 993 1 2 . 1 1 88 88 PHE N N 88 118.684 118.684 118.785 -0.101 18231 994 1 2 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.276 0.096 18231 995 1 2 . 1 1 88 88 PHE C C 88 177.050 177.050 178.110 -1.060 18231 996 1 2 . 1 1 88 88 PHE CA C 88 59.373 59.373 60.029 -0.656 18231 997 1 2 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.117 0.902 18231 998 1 2 . 1 1 88 88 PHE H H 88 7.862 7.862 8.758 -0.896 18231 999 1 2 . 1 1 89 89 PHE N N 89 118.515 118.515 118.337 0.178 18231 1000 1 2 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.098 0.190 18231 1001 1 2 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.837 -2.579 18231 1002 1 2 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.240 0.992 18231 1003 1 2 . 1 1 89 89 PHE H H 89 7.898 7.898 7.640 0.258 18231 1004 1 2 . 1 1 90 90 TRP N N 90 118.964 118.964 118.296 0.668 18231 1005 1 2 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.405 0.080 18231 1006 1 2 . 1 1 90 90 TRP C C 90 174.481 174.481 178.426 -3.945 18231 1007 1 2 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.412 -2.041 18231 1008 1 2 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.654 -0.378 18231 1009 1 2 . 1 1 90 90 TRP H H 90 7.773 7.773 7.497 0.276 18231 1010 1 2 . 1 1 91 91 GLU N N 91 120.150 120.150 119.054 1.096 18231 1011 1 2 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.104 -0.047 18231 1012 1 2 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.383 -0.406 18231 1013 1 2 . 1 1 91 91 GLU CB C 91 30.094 30.094 30.121 -0.027 18231 1014 1 2 . 1 1 91 91 GLU H H 91 7.812 7.812 8.089 -0.277 18231 1015 1 2 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.426 0.242 18231 1016 1 2 . 1 1 92 92 ASN C C 92 175.577 175.577 174.832 0.745 18231 1017 1 2 . 1 1 92 92 ASN CA C 92 52.806 52.806 54.233 -1.427 18231 1018 1 2 . 1 1 92 92 ASN CB C 92 38.795 38.795 36.696 2.099 18231 1019 1 3 . 1 1 2 2 SER N N 2 118.234 118.234 118.055 0.179 18231 1020 1 3 . 1 1 2 2 SER HA H 2 4.750 4.750 4.433 0.317 18231 1021 1 3 . 1 1 2 2 SER C C 2 178.105 178.105 175.689 2.416 18231 1022 1 3 . 1 1 2 2 SER CA C 2 57.133 57.133 57.623 -0.491 18231 1023 1 3 . 1 1 2 2 SER CB C 2 64.624 64.624 64.596 0.028 18231 1024 1 3 . 1 1 2 2 SER H H 2 9.007 9.007 8.333 0.674 18231 1025 1 3 . 1 1 3 3 GLU N N 3 123.466 123.466 120.891 2.575 18231 1026 1 3 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.082 0.057 18231 1027 1 3 . 1 1 3 3 GLU C C 3 173.854 173.854 178.732 -4.878 18231 1028 1 3 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.891 1.220 18231 1029 1 3 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.478 -0.578 18231 1030 1 3 . 1 1 3 3 GLU H H 3 9.436 9.436 8.768 0.668 18231 1031 1 3 . 1 1 4 4 LEU N N 4 119.878 119.878 119.380 0.498 18231 1032 1 3 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.014 0.072 18231 1033 1 3 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.292 0.617 18231 1034 1 3 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.278 0.127 18231 1035 1 3 . 1 1 4 4 LEU H H 4 8.891 8.891 8.008 0.883 18231 1036 1 3 . 1 1 5 5 GLU HA H 5 4.011 4.011 3.963 0.048 18231 1037 1 3 . 1 1 5 5 GLU C C 5 173.709 173.709 178.524 -4.815 18231 1038 1 3 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.719 -0.123 18231 1039 1 3 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.432 -0.377 18231 1040 1 3 . 1 1 6 6 THR N N 6 116.614 116.614 115.863 0.751 18231 1041 1 3 . 1 1 6 6 THR HA H 6 4.019 4.019 4.035 -0.016 18231 1042 1 3 . 1 1 6 6 THR C C 6 176.965 176.965 176.316 0.649 18231 1043 1 3 . 1 1 6 6 THR CA C 6 66.175 66.175 66.107 0.068 18231 1044 1 3 . 1 1 6 6 THR CB C 6 68.280 68.280 68.345 -0.065 18231 1045 1 3 . 1 1 6 6 THR H H 6 8.316 8.316 7.493 0.823 18231 1046 1 3 . 1 1 7 7 ALA N N 7 126.118 126.118 124.825 1.293 18231 1047 1 3 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.152 -0.016 18231 1048 1 3 . 1 1 7 7 ALA C C 7 173.544 173.544 180.424 -6.880 18231 1049 1 3 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.874 -0.036 18231 1050 1 3 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.213 -0.763 18231 1051 1 3 . 1 1 7 7 ALA H H 7 8.167 8.167 7.457 0.710 18231 1052 1 3 . 1 1 8 8 MET N N 8 117.610 117.610 117.621 -0.011 18231 1053 1 3 . 1 1 8 8 MET HA H 8 4.174 4.174 4.050 0.124 18231 1054 1 3 . 1 1 8 8 MET C C 8 175.513 175.513 178.461 -2.948 18231 1055 1 3 . 1 1 8 8 MET CA C 8 61.988 61.988 59.663 2.325 18231 1056 1 3 . 1 1 8 8 MET CB C 8 26.277 26.277 32.387 -6.110 18231 1057 1 3 . 1 1 8 8 MET H H 8 8.286 8.286 8.158 0.128 18231 1058 1 3 . 1 1 9 9 GLU N N 9 117.751 117.751 118.548 -0.797 18231 1059 1 3 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.154 -0.234 18231 1060 1 3 . 1 1 9 9 GLU C C 9 174.479 174.479 179.047 -4.568 18231 1061 1 3 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.242 0.177 18231 1062 1 3 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.278 -0.264 18231 1063 1 3 . 1 1 9 9 GLU H H 9 8.055 8.055 8.008 0.047 18231 1064 1 3 . 1 1 10 10 THR N N 10 117.936 117.936 114.771 3.165 18231 1065 1 3 . 1 1 10 10 THR HA H 10 4.083 4.083 4.089 -0.006 18231 1066 1 3 . 1 1 10 10 THR C C 10 177.781 177.781 176.968 0.813 18231 1067 1 3 . 1 1 10 10 THR CA C 10 66.869 66.869 66.336 0.533 18231 1068 1 3 . 1 1 10 10 THR CB C 10 67.663 67.663 68.677 -1.014 18231 1069 1 3 . 1 1 10 10 THR H H 10 8.398 8.398 8.275 0.123 18231 1070 1 3 . 1 1 11 11 LEU N N 11 119.632 119.632 121.917 -2.285 18231 1071 1 3 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.306 -0.350 18231 1072 1 3 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.392 0.476 18231 1073 1 3 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.226 0.371 18231 1074 1 3 . 1 1 11 11 LEU H H 11 8.134 8.134 7.593 0.541 18231 1075 1 3 . 1 1 12 12 ILE N N 12 119.532 119.532 120.219 -0.687 18231 1076 1 3 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.365 0.603 18231 1077 1 3 . 1 1 12 12 ILE C C 12 175.378 175.378 178.122 -2.744 18231 1078 1 3 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.635 -0.263 18231 1079 1 3 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.402 1.530 18231 1080 1 3 . 1 1 12 12 ILE H H 12 7.751 7.751 7.693 0.058 18231 1081 1 3 . 1 1 13 13 ASN N N 13 121.617 121.617 118.734 2.883 18231 1082 1 3 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.492 0.035 18231 1083 1 3 . 1 1 13 13 ASN C C 13 174.457 174.457 177.818 -3.361 18231 1084 1 3 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.332 -0.272 18231 1085 1 3 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.300 -0.643 18231 1086 1 3 . 1 1 13 13 ASN H H 13 9.012 9.012 8.429 0.583 18231 1087 1 3 . 1 1 14 14 VAL N N 14 120.538 120.538 120.096 0.442 18231 1088 1 3 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.583 0.232 18231 1089 1 3 . 1 1 14 14 VAL C C 14 176.194 176.194 177.640 -1.446 18231 1090 1 3 . 1 1 14 14 VAL CA C 14 66.080 66.080 66.798 -0.718 18231 1091 1 3 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.927 -0.356 18231 1092 1 3 . 1 1 14 14 VAL H H 14 8.951 8.951 8.200 0.751 18231 1093 1 3 . 1 1 15 15 PHE N N 15 117.397 117.397 121.422 -4.025 18231 1094 1 3 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.095 -0.626 18231 1095 1 3 . 1 1 15 15 PHE C C 15 176.028 176.028 177.130 -1.102 18231 1096 1 3 . 1 1 15 15 PHE CA C 15 62.163 62.163 61.937 0.226 18231 1097 1 3 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.135 -0.200 18231 1098 1 3 . 1 1 15 15 PHE H H 15 6.953 6.953 8.597 -1.644 18231 1099 1 3 . 1 1 16 16 HIS N N 16 115.032 115.032 119.832 -4.800 18231 1100 1 3 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.026 0.810 18231 1101 1 3 . 1 1 16 16 HIS C C 16 176.028 176.028 177.405 -1.377 18231 1102 1 3 . 1 1 16 16 HIS CA C 16 58.017 58.017 58.764 -0.747 18231 1103 1 3 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.557 -1.276 18231 1104 1 3 . 1 1 16 16 HIS H H 16 7.736 7.736 8.651 -0.915 18231 1105 1 3 . 1 1 17 17 ALA N N 17 123.252 123.252 121.139 2.113 18231 1106 1 3 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.555 0.493 18231 1107 1 3 . 1 1 17 17 ALA C C 17 174.507 174.507 179.563 -5.056 18231 1108 1 3 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.739 -1.044 18231 1109 1 3 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.899 -0.545 18231 1110 1 3 . 1 1 17 17 ALA H H 17 8.070 8.070 8.049 0.021 18231 1111 1 3 . 1 1 18 18 HIS N N 18 113.812 113.812 116.982 -3.170 18231 1112 1 3 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.207 0.183 18231 1113 1 3 . 1 1 18 18 HIS C C 18 177.747 177.747 177.774 -0.027 18231 1114 1 3 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.117 -2.182 18231 1115 1 3 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.683 2.457 18231 1116 1 3 . 1 1 18 18 HIS H H 18 7.043 7.043 8.063 -1.020 18231 1117 1 3 . 1 1 19 19 SER N N 19 113.634 113.634 114.372 -0.738 18231 1118 1 3 . 1 1 19 19 SER HA H 19 3.673 3.673 4.157 -0.484 18231 1119 1 3 . 1 1 19 19 SER C C 19 176.511 176.511 176.821 -0.310 18231 1120 1 3 . 1 1 19 19 SER CA C 19 60.926 60.926 60.605 0.321 18231 1121 1 3 . 1 1 19 19 SER CB C 19 60.919 60.919 62.346 -1.427 18231 1122 1 3 . 1 1 19 19 SER H H 19 8.489 8.489 7.937 0.552 18231 1123 1 3 . 1 1 20 20 GLY N N 20 111.572 111.572 108.750 2.822 18231 1124 1 3 . 1 1 20 20 GLY C C 20 179.798 179.798 175.597 4.201 18231 1125 1 3 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.280 -1.188 18231 1126 1 3 . 1 1 20 20 GLY H H 20 7.734 7.734 8.049 -0.315 18231 1127 1 3 . 1 1 21 21 LYS N N 21 122.204 122.204 121.387 0.817 18231 1128 1 3 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.040 -0.116 18231 1129 1 3 . 1 1 21 21 LYS C C 21 176.162 176.162 177.140 -0.978 18231 1130 1 3 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.564 0.532 18231 1131 1 3 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.626 -0.726 18231 1132 1 3 . 1 1 21 21 LYS H H 21 7.196 7.196 7.591 -0.395 18231 1133 1 3 . 1 1 22 22 GLU N N 22 115.840 115.840 118.614 -2.774 18231 1134 1 3 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.459 0.208 18231 1135 1 3 . 1 1 22 22 GLU C C 22 176.511 176.511 176.216 0.295 18231 1136 1 3 . 1 1 22 22 GLU CA C 22 53.781 53.781 54.990 -1.209 18231 1137 1 3 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.129 3.512 18231 1138 1 3 . 1 1 22 22 GLU H H 22 9.363 9.363 7.694 1.669 18231 1139 1 3 . 1 1 23 23 GLY N N 23 111.558 111.558 110.432 1.126 18231 1140 1 3 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.350 0.150 18231 1141 1 3 . 1 1 23 23 GLY H H 23 7.710 7.710 8.025 -0.315 18231 1142 1 3 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.363 0.045 18231 1143 1 3 . 1 1 24 24 ASP C C 24 173.495 173.495 176.994 -3.499 18231 1144 1 3 . 1 1 24 24 ASP CA C 24 54.717 54.717 55.214 -0.497 18231 1145 1 3 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.430 2.630 18231 1146 1 3 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.924 0.363 18231 1147 1 3 . 1 1 25 25 LYS CA C 25 57.529 57.529 58.894 -1.365 18231 1148 1 3 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.332 -1.423 18231 1149 1 3 . 1 1 26 26 TYR N N 26 119.467 119.467 114.764 4.703 18231 1150 1 3 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.582 0.129 18231 1151 1 3 . 1 1 26 26 TYR C C 26 179.682 179.682 175.809 3.873 18231 1152 1 3 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.827 -4.003 18231 1153 1 3 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.505 -0.834 18231 1154 1 3 . 1 1 26 26 TYR H H 26 9.377 9.377 8.331 1.046 18231 1155 1 3 . 1 1 27 27 LYS N N 27 114.770 114.770 118.728 -3.958 18231 1156 1 3 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.656 0.466 18231 1157 1 3 . 1 1 27 27 LYS C C 27 178.721 178.721 174.489 4.232 18231 1158 1 3 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.862 -0.135 18231 1159 1 3 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.312 3.177 18231 1160 1 3 . 1 1 27 27 LYS H H 27 7.100 7.100 7.708 -0.608 18231 1161 1 3 . 1 1 28 28 LEU N N 28 125.858 125.858 126.195 -0.337 18231 1162 1 3 . 1 1 28 28 LEU HA H 28 5.183 5.183 5.121 0.062 18231 1163 1 3 . 1 1 28 28 LEU C C 28 177.490 177.490 175.465 2.025 18231 1164 1 3 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.014 -0.681 18231 1165 1 3 . 1 1 28 28 LEU CB C 28 42.586 42.586 45.363 -2.777 18231 1166 1 3 . 1 1 28 28 LEU H H 28 9.750 9.750 8.296 1.454 18231 1167 1 3 . 1 1 29 29 SER N N 29 120.926 120.926 119.971 0.955 18231 1168 1 3 . 1 1 29 29 SER HA H 29 4.560 4.560 4.819 -0.259 18231 1169 1 3 . 1 1 29 29 SER C C 29 178.943 178.943 175.450 3.493 18231 1170 1 3 . 1 1 29 29 SER CA C 29 55.907 55.907 56.525 -0.618 18231 1171 1 3 . 1 1 29 29 SER CB C 29 65.035 65.035 66.126 -1.091 18231 1172 1 3 . 1 1 29 29 SER H H 29 9.907 9.907 8.163 1.744 18231 1173 1 3 . 1 1 30 30 LYS N N 30 120.263 120.263 123.341 -3.078 18231 1174 1 3 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.986 -0.135 18231 1175 1 3 . 1 1 30 30 LYS C C 30 175.519 175.519 178.410 -2.891 18231 1176 1 3 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.160 0.500 18231 1177 1 3 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.232 -0.494 18231 1178 1 3 . 1 1 30 30 LYS H H 30 8.838 8.838 8.998 -0.160 18231 1179 1 3 . 1 1 31 31 LYS N N 31 118.292 118.292 117.663 0.629 18231 1180 1 3 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.007 -0.085 18231 1181 1 3 . 1 1 31 31 LYS C C 31 174.664 174.664 179.092 -4.428 18231 1182 1 3 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.604 -0.306 18231 1183 1 3 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.152 0.513 18231 1184 1 3 . 1 1 31 31 LYS H H 31 7.903 7.903 8.319 -0.416 18231 1185 1 3 . 1 1 32 32 GLU N N 32 119.243 119.243 119.337 -0.094 18231 1186 1 3 . 1 1 32 32 GLU HA H 32 3.907 3.907 3.978 -0.071 18231 1187 1 3 . 1 1 32 32 GLU C C 32 174.836 174.836 178.944 -4.108 18231 1188 1 3 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.170 -0.854 18231 1189 1 3 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.771 1.106 18231 1190 1 3 . 1 1 32 32 GLU H H 32 7.499 7.499 7.621 -0.122 18231 1191 1 3 . 1 1 33 33 LEU N N 33 119.432 119.432 119.339 0.093 18231 1192 1 3 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.114 -0.197 18231 1193 1 3 . 1 1 33 33 LEU C C 33 175.740 175.740 177.963 -2.223 18231 1194 1 3 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.177 0.092 18231 1195 1 3 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.069 -0.089 18231 1196 1 3 . 1 1 33 33 LEU H H 33 9.062 9.062 8.304 0.758 18231 1197 1 3 . 1 1 34 34 LYS N N 34 119.090 119.090 120.715 -1.625 18231 1198 1 3 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.858 -0.204 18231 1199 1 3 . 1 1 34 34 LYS C C 34 175.916 175.916 178.317 -2.401 18231 1200 1 3 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.300 -0.016 18231 1201 1 3 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.100 -0.700 18231 1202 1 3 . 1 1 34 34 LYS H H 34 8.236 8.236 8.490 -0.254 18231 1203 1 3 . 1 1 35 35 GLU N N 35 117.482 117.482 119.530 -2.048 18231 1204 1 3 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.995 0.002 18231 1205 1 3 . 1 1 35 35 GLU C C 35 174.549 174.549 178.589 -4.040 18231 1206 1 3 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.535 -0.306 18231 1207 1 3 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.336 -0.503 18231 1208 1 3 . 1 1 35 35 GLU H H 35 7.734 7.734 7.613 0.121 18231 1209 1 3 . 1 1 36 36 LEU N N 36 124.601 124.601 118.889 5.712 18231 1210 1 3 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.890 -1.202 18231 1211 1 3 . 1 1 36 36 LEU C C 36 174.780 174.780 179.117 -4.337 18231 1212 1 3 . 1 1 36 36 LEU CA C 36 59.327 59.327 58.011 1.316 18231 1213 1 3 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.210 0.425 18231 1214 1 3 . 1 1 36 36 LEU H H 36 8.308 8.308 7.214 1.094 18231 1215 1 3 . 1 1 37 37 LEU N N 37 118.901 118.901 118.842 0.059 18231 1216 1 3 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.921 -0.188 18231 1217 1 3 . 1 1 37 37 LEU C C 37 174.771 174.771 179.234 -4.463 18231 1218 1 3 . 1 1 37 37 LEU CA C 37 57.913 57.913 58.108 -0.195 18231 1219 1 3 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.220 0.066 18231 1220 1 3 . 1 1 37 37 LEU H H 37 8.663 8.663 8.336 0.327 18231 1221 1 3 . 1 1 38 38 GLN N N 38 114.582 114.582 118.770 -4.188 18231 1222 1 3 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.023 -0.066 18231 1223 1 3 . 1 1 38 38 GLN C C 38 175.747 175.747 177.693 -1.946 18231 1224 1 3 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.973 -0.802 18231 1225 1 3 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.854 -0.225 18231 1226 1 3 . 1 1 38 38 GLN H H 38 8.507 8.507 8.269 0.238 18231 1227 1 3 . 1 1 39 39 THR N N 39 110.227 110.227 113.445 -3.218 18231 1228 1 3 . 1 1 39 39 THR HA H 39 4.252 4.252 3.883 0.369 18231 1229 1 3 . 1 1 39 39 THR C C 39 176.966 176.966 175.954 1.012 18231 1230 1 3 . 1 1 39 39 THR CA C 39 64.485 64.485 65.323 -0.839 18231 1231 1 3 . 1 1 39 39 THR CB C 39 69.254 69.254 68.785 0.469 18231 1232 1 3 . 1 1 39 39 THR H H 39 7.845 7.845 7.987 -0.142 18231 1233 1 3 . 1 1 40 40 GLU N N 40 117.400 117.400 120.663 -3.263 18231 1234 1 3 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.205 -0.055 18231 1235 1 3 . 1 1 40 40 GLU C C 40 177.343 177.343 176.854 0.489 18231 1236 1 3 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.377 -1.808 18231 1237 1 3 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.106 -0.525 18231 1238 1 3 . 1 1 40 40 GLU H H 40 8.460 8.460 8.086 0.374 18231 1239 1 3 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.557 0.470 18231 1240 1 3 . 1 1 41 41 LEU C C 41 176.458 176.458 177.843 -1.385 18231 1241 1 3 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.869 -1.434 18231 1242 1 3 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.642 0.665 18231 1243 1 3 . 1 1 42 42 SER N N 42 116.528 116.528 119.898 -3.370 18231 1244 1 3 . 1 1 42 42 SER HA H 42 4.062 4.062 4.444 -0.382 18231 1245 1 3 . 1 1 42 42 SER CA C 42 61.213 61.213 61.321 -0.108 18231 1246 1 3 . 1 1 42 42 SER CB C 42 62.378 62.378 63.047 -0.669 18231 1247 1 3 . 1 1 42 42 SER H H 42 8.246 8.246 9.021 -0.775 18231 1248 1 3 . 1 1 43 43 GLY N N 43 111.367 111.367 108.554 2.813 18231 1249 1 3 . 1 1 43 43 GLY C C 43 177.750 177.750 175.740 2.010 18231 1250 1 3 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.269 -0.531 18231 1251 1 3 . 1 1 43 43 GLY H H 43 8.850 8.850 8.599 0.251 18231 1252 1 3 . 1 1 44 44 PHE N N 44 122.213 122.213 121.103 1.110 18231 1253 1 3 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.107 0.256 18231 1254 1 3 . 1 1 44 44 PHE C C 44 176.428 176.428 177.057 -0.629 18231 1255 1 3 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.403 0.110 18231 1256 1 3 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.117 1.215 18231 1257 1 3 . 1 1 44 44 PHE H H 44 7.936 7.936 8.074 -0.138 18231 1258 1 3 . 1 1 45 45 LEU N N 45 119.395 119.395 120.988 -1.593 18231 1259 1 3 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.335 0.696 18231 1260 1 3 . 1 1 45 45 LEU C C 45 177.212 177.212 179.144 -1.932 18231 1261 1 3 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.074 0.294 18231 1262 1 3 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.515 -0.474 18231 1263 1 3 . 1 1 45 45 LEU H H 45 8.133 8.133 6.684 1.449 18231 1264 1 3 . 1 1 46 46 ASP N N 46 117.384 117.384 119.409 -2.025 18231 1265 1 3 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.350 0.032 18231 1266 1 3 . 1 1 46 46 ASP C C 46 176.684 176.684 178.450 -1.766 18231 1267 1 3 . 1 1 46 46 ASP CA C 46 55.312 55.312 57.152 -1.840 18231 1268 1 3 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.884 0.656 18231 1269 1 3 . 1 1 46 46 ASP H H 46 8.139 8.139 8.538 -0.399 18231 1270 1 3 . 1 1 47 47 ALA N N 47 121.052 121.052 122.229 -1.177 18231 1271 1 3 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.031 0.133 18231 1272 1 3 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.645 -2.100 18231 1273 1 3 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.522 -0.173 18231 1274 1 3 . 1 1 47 47 ALA H H 47 7.637 7.637 7.804 -0.167 18231 1275 1 3 . 1 1 48 48 GLN N N 48 116.271 116.271 117.297 -1.026 18231 1276 1 3 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.070 0.070 18231 1277 1 3 . 1 1 48 48 GLN CA C 48 54.979 54.979 57.937 -2.958 18231 1278 1 3 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.933 -0.862 18231 1279 1 3 . 1 1 48 48 GLN H H 48 7.661 7.661 7.576 0.085 18231 1280 1 3 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.253 -0.124 18231 1281 1 3 . 1 1 49 49 LYS C C 49 177.345 177.345 175.268 2.077 18231 1282 1 3 . 1 1 49 49 LYS CA C 49 56.247 56.247 56.427 -0.180 18231 1283 1 3 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.962 -1.182 18231 1284 1 3 . 1 1 50 50 ASP N N 50 118.526 118.526 122.804 -4.278 18231 1285 1 3 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.379 0.278 18231 1286 1 3 . 1 1 50 50 ASP C C 50 177.422 177.422 177.085 0.337 18231 1287 1 3 . 1 1 50 50 ASP CA C 50 53.834 53.834 55.259 -1.425 18231 1288 1 3 . 1 1 50 50 ASP CB C 50 41.689 41.689 39.736 1.953 18231 1289 1 3 . 1 1 50 50 ASP H H 50 7.975 7.975 8.919 -0.944 18231 1290 1 3 . 1 1 51 51 VAL N N 51 120.868 120.868 118.599 2.269 18231 1291 1 3 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.783 0.197 18231 1292 1 3 . 1 1 51 51 VAL C C 51 177.212 177.212 176.829 0.383 18231 1293 1 3 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.408 -2.059 18231 1294 1 3 . 1 1 51 51 VAL CB C 51 31.736 31.736 31.888 -0.152 18231 1295 1 3 . 1 1 51 51 VAL H H 51 8.225 8.225 8.395 -0.170 18231 1296 1 3 . 1 1 52 52 ASP N N 52 121.054 121.054 120.640 0.414 18231 1297 1 3 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.325 0.453 18231 1298 1 3 . 1 1 52 52 ASP C C 52 176.912 176.912 178.052 -1.140 18231 1299 1 3 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.407 -4.018 18231 1300 1 3 . 1 1 52 52 ASP CB C 52 40.072 40.072 40.070 0.002 18231 1301 1 3 . 1 1 52 52 ASP H H 52 8.403 8.403 8.384 0.019 18231 1302 1 3 . 1 1 53 53 ALA N N 53 123.449 123.449 122.587 0.862 18231 1303 1 3 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.080 -0.143 18231 1304 1 3 . 1 1 53 53 ALA C C 53 174.124 174.124 179.405 -5.281 18231 1305 1 3 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.817 0.146 18231 1306 1 3 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.297 0.576 18231 1307 1 3 . 1 1 53 53 ALA H H 53 7.757 7.757 7.971 -0.214 18231 1308 1 3 . 1 1 54 54 VAL N N 54 116.105 116.105 118.399 -2.294 18231 1309 1 3 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.512 -0.054 18231 1310 1 3 . 1 1 54 54 VAL C C 54 176.953 176.953 177.384 -0.431 18231 1311 1 3 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.784 -0.890 18231 1312 1 3 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.398 -0.818 18231 1313 1 3 . 1 1 54 54 VAL H H 54 8.281 8.281 8.107 0.174 18231 1314 1 3 . 1 1 55 55 ASP N N 55 120.466 120.466 119.528 0.938 18231 1315 1 3 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.346 -0.181 18231 1316 1 3 . 1 1 55 55 ASP C C 55 174.997 174.997 178.135 -3.138 18231 1317 1 3 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.574 -0.374 18231 1318 1 3 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.735 -0.215 18231 1319 1 3 . 1 1 55 55 ASP H H 55 7.667 7.667 8.167 -0.500 18231 1320 1 3 . 1 1 56 56 LYS N N 56 119.065 119.065 119.220 -0.155 18231 1321 1 3 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.036 -0.057 18231 1322 1 3 . 1 1 56 56 LYS C C 56 174.602 174.602 179.270 -4.668 18231 1323 1 3 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.249 -0.704 18231 1324 1 3 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.509 -0.909 18231 1325 1 3 . 1 1 56 56 LYS H H 56 7.628 7.628 7.331 0.297 18231 1326 1 3 . 1 1 57 57 VAL N N 57 119.756 119.756 119.631 0.125 18231 1327 1 3 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.737 -0.010 18231 1328 1 3 . 1 1 57 57 VAL C C 57 175.782 175.782 178.474 -2.692 18231 1329 1 3 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.164 -0.565 18231 1330 1 3 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.584 -0.337 18231 1331 1 3 . 1 1 57 57 VAL H H 57 7.920 7.920 8.138 -0.218 18231 1332 1 3 . 1 1 58 58 MET N N 58 118.541 118.541 118.796 -0.255 18231 1333 1 3 . 1 1 58 58 MET HA H 58 3.936 3.936 4.183 -0.247 18231 1334 1 3 . 1 1 58 58 MET C C 58 176.330 176.330 177.111 -0.781 18231 1335 1 3 . 1 1 58 58 MET CA C 58 58.620 58.620 59.436 -0.816 18231 1336 1 3 . 1 1 58 58 MET CB C 58 32.002 32.002 32.430 -0.428 18231 1337 1 3 . 1 1 58 58 MET H H 58 8.426 8.426 8.368 0.058 18231 1338 1 3 . 1 1 59 59 LYS N N 59 116.084 116.084 117.617 -1.533 18231 1339 1 3 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.993 -0.057 18231 1340 1 3 . 1 1 59 59 LYS C C 59 176.918 176.918 178.467 -1.549 18231 1341 1 3 . 1 1 59 59 LYS CA C 59 58.674 58.674 58.928 -0.254 18231 1342 1 3 . 1 1 59 59 LYS CB C 59 32.602 32.602 31.313 1.289 18231 1343 1 3 . 1 1 59 59 LYS H H 59 7.623 7.623 7.559 0.064 18231 1344 1 3 . 1 1 60 60 GLU N N 60 117.227 117.227 117.659 -0.432 18231 1345 1 3 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.117 -0.062 18231 1346 1 3 . 1 1 60 60 GLU C C 60 175.146 175.146 178.611 -3.465 18231 1347 1 3 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.426 -0.395 18231 1348 1 3 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.352 -0.036 18231 1349 1 3 . 1 1 60 60 GLU H H 60 7.592 7.592 7.606 -0.014 18231 1350 1 3 . 1 1 61 61 LEU N N 61 116.051 116.051 118.138 -2.087 18231 1351 1 3 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.167 0.196 18231 1352 1 3 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.995 -2.136 18231 1353 1 3 . 1 1 61 61 LEU CB C 61 43.577 43.577 41.964 1.613 18231 1354 1 3 . 1 1 61 61 LEU H H 61 8.045 8.045 7.264 0.781 18231 1355 1 3 . 1 1 62 62 ASP N N 62 116.891 116.891 119.012 -2.121 18231 1356 1 3 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.905 -0.205 18231 1357 1 3 . 1 1 62 62 ASP C C 62 176.806 176.806 176.991 -0.185 18231 1358 1 3 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.639 -0.523 18231 1359 1 3 . 1 1 62 62 ASP CB C 62 38.651 38.651 38.710 -0.059 18231 1360 1 3 . 1 1 62 62 ASP H H 62 8.008 8.008 8.262 -0.254 18231 1361 1 3 . 1 1 63 63 GLU N N 63 129.185 129.185 123.175 6.010 18231 1362 1 3 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.026 0.028 18231 1363 1 3 . 1 1 63 63 GLU C C 63 175.826 175.826 177.176 -1.350 18231 1364 1 3 . 1 1 63 63 GLU CA C 63 58.318 58.318 59.046 -0.728 18231 1365 1 3 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.826 0.392 18231 1366 1 3 . 1 1 63 63 GLU H H 63 8.347 8.347 7.902 0.446 18231 1367 1 3 . 1 1 64 64 ASN N N 64 112.618 112.618 114.935 -2.317 18231 1368 1 3 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.680 0.068 18231 1369 1 3 . 1 1 64 64 ASN C C 64 176.855 176.855 176.423 0.432 18231 1370 1 3 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.583 -0.957 18231 1371 1 3 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.199 -1.326 18231 1372 1 3 . 1 1 64 64 ASN H H 64 7.978 7.978 7.919 0.059 18231 1373 1 3 . 1 1 65 65 GLY N N 65 109.111 109.111 109.127 -0.016 18231 1374 1 3 . 1 1 65 65 GLY C C 65 178.426 178.426 175.028 3.398 18231 1375 1 3 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.277 0.762 18231 1376 1 3 . 1 1 65 65 GLY H H 65 7.543 7.543 8.130 -0.587 18231 1377 1 3 . 1 1 66 66 ASP N N 66 119.205 119.205 119.473 -0.268 18231 1378 1 3 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.406 0.135 18231 1379 1 3 . 1 1 66 66 ASP C C 66 176.015 176.015 177.845 -1.830 18231 1380 1 3 . 1 1 66 66 ASP CA C 66 52.839 52.839 55.026 -2.187 18231 1381 1 3 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.110 -1.234 18231 1382 1 3 . 1 1 66 66 ASP H H 66 8.113 8.113 8.140 -0.027 18231 1383 1 3 . 1 1 67 67 GLY N N 67 113.254 113.254 107.248 6.006 18231 1384 1 3 . 1 1 67 67 GLY C C 67 180.780 180.780 173.696 7.084 18231 1385 1 3 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.995 0.218 18231 1386 1 3 . 1 1 67 67 GLY H H 67 10.267 10.267 8.798 1.469 18231 1387 1 3 . 1 1 68 68 GLU N N 68 116.975 116.975 119.845 -2.870 18231 1388 1 3 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.634 0.176 18231 1389 1 3 . 1 1 68 68 GLU C C 68 178.130 178.130 174.453 3.677 18231 1390 1 3 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.949 -0.819 18231 1391 1 3 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.465 2.287 18231 1392 1 3 . 1 1 68 68 GLU H H 68 7.714 7.714 8.450 -0.736 18231 1393 1 3 . 1 1 69 69 VAL N N 69 125.146 125.146 120.612 4.534 18231 1394 1 3 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.635 0.614 18231 1395 1 3 . 1 1 69 69 VAL C C 69 177.413 177.413 174.700 2.713 18231 1396 1 3 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.621 -0.919 18231 1397 1 3 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.558 -0.071 18231 1398 1 3 . 1 1 69 69 VAL H H 69 9.389 9.389 7.883 1.506 18231 1399 1 3 . 1 1 70 70 ASP N N 70 129.202 129.202 124.128 5.074 18231 1400 1 3 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.004 0.165 18231 1401 1 3 . 1 1 70 70 ASP C C 70 178.332 178.332 176.917 1.415 18231 1402 1 3 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.485 0.660 18231 1403 1 3 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.291 -3.194 18231 1404 1 3 . 1 1 70 70 ASP H H 70 9.109 9.109 8.335 0.774 18231 1405 1 3 . 1 1 71 71 PHE N N 71 118.298 118.298 125.026 -6.728 18231 1406 1 3 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.778 -0.851 18231 1407 1 3 . 1 1 71 71 PHE C C 71 176.763 176.763 176.808 -0.045 18231 1408 1 3 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.834 1.217 18231 1409 1 3 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.808 0.181 18231 1410 1 3 . 1 1 71 71 PHE H H 71 8.938 8.938 8.741 0.197 18231 1411 1 3 . 1 1 72 72 GLN N N 72 116.762 116.762 117.977 -1.215 18231 1412 1 3 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.694 -0.000 18231 1413 1 3 . 1 1 72 72 GLN C C 72 175.208 175.208 178.021 -2.813 18231 1414 1 3 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.668 -0.449 18231 1415 1 3 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.153 -0.347 18231 1416 1 3 . 1 1 72 72 GLN H H 72 7.997 7.997 8.527 -0.530 18231 1417 1 3 . 1 1 73 73 GLU N N 73 120.146 120.146 119.914 0.232 18231 1418 1 3 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.963 0.133 18231 1419 1 3 . 1 1 73 73 GLU C C 73 174.746 174.746 178.796 -4.050 18231 1420 1 3 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.529 -1.425 18231 1421 1 3 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.430 0.416 18231 1422 1 3 . 1 1 73 73 GLU H H 73 8.289 8.289 7.599 0.690 18231 1423 1 3 . 1 1 74 74 TYR N N 74 121.506 121.506 121.690 -0.184 18231 1424 1 3 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.128 -0.015 18231 1425 1 3 . 1 1 74 74 TYR C C 74 176.925 176.925 177.454 -0.529 18231 1426 1 3 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.625 -2.524 18231 1427 1 3 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.566 -1.194 18231 1428 1 3 . 1 1 74 74 TYR H H 74 8.324 8.324 8.563 -0.239 18231 1429 1 3 . 1 1 75 75 VAL N N 75 120.725 120.725 118.915 1.810 18231 1430 1 3 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.321 -0.448 18231 1431 1 3 . 1 1 75 75 VAL C C 75 176.738 176.738 177.870 -1.132 18231 1432 1 3 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.350 -0.470 18231 1433 1 3 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.616 0.384 18231 1434 1 3 . 1 1 75 75 VAL H H 75 8.074 8.074 8.227 -0.153 18231 1435 1 3 . 1 1 76 76 VAL N N 76 120.118 120.118 119.599 0.519 18231 1436 1 3 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.564 -0.144 18231 1437 1 3 . 1 1 76 76 VAL C C 76 174.620 174.620 178.198 -3.578 18231 1438 1 3 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.512 -0.103 18231 1439 1 3 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.099 -0.323 18231 1440 1 3 . 1 1 76 76 VAL H H 76 7.119 7.119 7.539 -0.420 18231 1441 1 3 . 1 1 77 77 LEU N N 77 120.709 120.709 121.023 -0.314 18231 1442 1 3 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.011 0.019 18231 1443 1 3 . 1 1 77 77 LEU C C 77 175.943 175.943 178.762 -2.819 18231 1444 1 3 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.245 -1.305 18231 1445 1 3 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.936 -0.828 18231 1446 1 3 . 1 1 77 77 LEU H H 77 6.865 6.865 7.903 -1.038 18231 1447 1 3 . 1 1 78 78 VAL N N 78 116.930 116.930 115.160 1.770 18231 1448 1 3 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.472 -0.332 18231 1449 1 3 . 1 1 78 78 VAL C C 78 174.150 174.150 177.299 -3.149 18231 1450 1 3 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.756 0.622 18231 1451 1 3 . 1 1 78 78 VAL CB C 78 30.229 30.229 31.001 -0.772 18231 1452 1 3 . 1 1 78 78 VAL H H 78 7.539 7.539 8.015 -0.476 18231 1453 1 3 . 1 1 79 79 ALA N N 79 124.551 124.551 122.468 2.083 18231 1454 1 3 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.915 -0.223 18231 1455 1 3 . 1 1 79 79 ALA C C 79 175.111 175.111 179.155 -4.044 18231 1456 1 3 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.179 0.313 18231 1457 1 3 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.987 -0.524 18231 1458 1 3 . 1 1 79 79 ALA H H 79 8.918 8.918 8.289 0.629 18231 1459 1 3 . 1 1 80 80 ALA N N 80 120.223 120.223 121.080 -0.857 18231 1460 1 3 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.119 -0.054 18231 1461 1 3 . 1 1 80 80 ALA C C 80 171.473 171.473 179.290 -7.817 18231 1462 1 3 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.622 0.304 18231 1463 1 3 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.379 -0.953 18231 1464 1 3 . 1 1 80 80 ALA H H 80 7.760 7.760 7.786 -0.026 18231 1465 1 3 . 1 1 81 81 LEU N N 81 119.090 119.090 119.595 -0.505 18231 1466 1 3 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.991 0.097 18231 1467 1 3 . 1 1 81 81 LEU C C 81 174.008 174.008 178.665 -4.657 18231 1468 1 3 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.828 -0.171 18231 1469 1 3 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.736 0.495 18231 1470 1 3 . 1 1 81 81 LEU H H 81 8.542 8.542 8.014 0.528 18231 1471 1 3 . 1 1 82 82 THR N N 82 119.585 119.585 113.852 5.733 18231 1472 1 3 . 1 1 82 82 THR HA H 82 4.332 4.332 3.984 0.348 18231 1473 1 3 . 1 1 82 82 THR C C 82 176.758 176.758 176.718 0.040 18231 1474 1 3 . 1 1 82 82 THR CA C 82 67.286 67.286 66.097 1.189 18231 1475 1 3 . 1 1 82 82 THR CB C 82 68.127 68.127 68.692 -0.565 18231 1476 1 3 . 1 1 82 82 THR H H 82 8.421 8.421 7.967 0.454 18231 1477 1 3 . 1 1 83 83 VAL N N 83 121.934 121.934 121.477 0.457 18231 1478 1 3 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.656 0.059 18231 1479 1 3 . 1 1 83 83 VAL C C 83 175.556 175.556 177.564 -2.008 18231 1480 1 3 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.497 0.406 18231 1481 1 3 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.745 -0.199 18231 1482 1 3 . 1 1 83 83 VAL H H 83 8.077 8.077 7.410 0.667 18231 1483 1 3 . 1 1 84 84 ALA N N 84 121.367 121.367 122.154 -0.787 18231 1484 1 3 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.095 0.106 18231 1485 1 3 . 1 1 84 84 ALA C C 84 173.936 173.936 179.534 -5.598 18231 1486 1 3 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.169 0.111 18231 1487 1 3 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.927 -0.320 18231 1488 1 3 . 1 1 84 84 ALA H H 84 7.835 7.835 8.363 -0.528 18231 1489 1 3 . 1 1 85 85 CYS N N 85 116.731 116.731 116.532 0.199 18231 1490 1 3 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.105 0.132 18231 1491 1 3 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.223 -7.572 18231 1492 1 3 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.338 12.632 18231 1493 1 3 . 1 1 85 85 CYS H H 85 8.244 8.244 7.843 0.401 18231 1494 1 3 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.497 -0.114 18231 1495 1 3 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.632 -1.653 18231 1496 1 3 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.481 2.010 18231 1497 1 3 . 1 1 87 87 ASN N N 87 120.372 120.372 118.689 1.683 18231 1498 1 3 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.757 -0.360 18231 1499 1 3 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.956 -0.987 18231 1500 1 3 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.132 -0.744 18231 1501 1 3 . 1 1 87 87 ASN H H 87 7.539 7.539 7.727 -0.188 18231 1502 1 3 . 1 1 88 88 PHE N N 88 118.684 118.684 121.567 -2.883 18231 1503 1 3 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.172 0.200 18231 1504 1 3 . 1 1 88 88 PHE C C 88 177.050 177.050 177.230 -0.180 18231 1505 1 3 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.671 -2.298 18231 1506 1 3 . 1 1 88 88 PHE CB C 88 39.019 39.019 39.126 -0.107 18231 1507 1 3 . 1 1 88 88 PHE H H 88 7.862 7.862 8.563 -0.701 18231 1508 1 3 . 1 1 89 89 PHE N N 89 118.515 118.515 119.226 -0.711 18231 1509 1 3 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.015 0.273 18231 1510 1 3 . 1 1 89 89 PHE CA C 89 59.258 59.258 62.006 -2.748 18231 1511 1 3 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.591 0.641 18231 1512 1 3 . 1 1 89 89 PHE H H 89 7.898 7.898 7.681 0.217 18231 1513 1 3 . 1 1 90 90 TRP N N 90 118.964 118.964 117.686 1.278 18231 1514 1 3 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.305 0.180 18231 1515 1 3 . 1 1 90 90 TRP C C 90 174.481 174.481 177.844 -3.363 18231 1516 1 3 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.092 -1.721 18231 1517 1 3 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.386 -0.110 18231 1518 1 3 . 1 1 90 90 TRP H H 90 7.773 7.773 7.505 0.268 18231 1519 1 3 . 1 1 91 91 GLU N N 91 120.150 120.150 117.340 2.810 18231 1520 1 3 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.067 -0.010 18231 1521 1 3 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.251 0.727 18231 1522 1 3 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.415 0.679 18231 1523 1 3 . 1 1 91 91 GLU H H 91 7.812 7.812 7.465 0.347 18231 1524 1 3 . 1 1 92 92 ASN HA H 92 4.668 4.668 3.982 0.686 18231 1525 1 3 . 1 1 92 92 ASN C C 92 175.577 175.577 173.505 2.072 18231 1526 1 3 . 1 1 92 92 ASN CA C 92 52.806 52.806 53.684 -0.878 18231 1527 1 3 . 1 1 92 92 ASN CB C 92 38.795 38.795 37.204 1.591 18231 1528 1 4 . 1 1 2 2 SER N N 2 118.234 118.234 119.194 -0.960 18231 1529 1 4 . 1 1 2 2 SER HA H 2 4.750 4.750 4.710 0.040 18231 1530 1 4 . 1 1 2 2 SER C C 2 178.105 178.105 175.435 2.670 18231 1531 1 4 . 1 1 2 2 SER CA C 2 57.133 57.133 57.448 -0.315 18231 1532 1 4 . 1 1 2 2 SER CB C 2 64.624 64.624 65.593 -0.969 18231 1533 1 4 . 1 1 2 2 SER H H 2 9.007 9.007 8.439 0.568 18231 1534 1 4 . 1 1 3 3 GLU N N 3 123.466 123.466 124.351 -0.885 18231 1535 1 4 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.081 0.058 18231 1536 1 4 . 1 1 3 3 GLU C C 3 173.854 173.854 178.380 -4.526 18231 1537 1 4 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.905 1.205 18231 1538 1 4 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.558 -0.658 18231 1539 1 4 . 1 1 3 3 GLU H H 3 9.436 9.436 8.978 0.458 18231 1540 1 4 . 1 1 4 4 LEU N N 4 119.878 119.878 118.612 1.266 18231 1541 1 4 . 1 1 4 4 LEU HA H 4 4.086 4.086 3.987 0.099 18231 1542 1 4 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.449 0.460 18231 1543 1 4 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.339 0.066 18231 1544 1 4 . 1 1 4 4 LEU H H 4 8.891 8.891 8.184 0.707 18231 1545 1 4 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.079 -0.068 18231 1546 1 4 . 1 1 5 5 GLU C C 5 173.709 173.709 178.633 -4.924 18231 1547 1 4 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.532 0.064 18231 1548 1 4 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.218 -0.163 18231 1549 1 4 . 1 1 6 6 THR N N 6 116.614 116.614 115.551 1.063 18231 1550 1 4 . 1 1 6 6 THR HA H 6 4.019 4.019 4.075 -0.056 18231 1551 1 4 . 1 1 6 6 THR C C 6 176.965 176.965 176.215 0.750 18231 1552 1 4 . 1 1 6 6 THR CA C 6 66.175 66.175 66.543 -0.368 18231 1553 1 4 . 1 1 6 6 THR CB C 6 68.280 68.280 68.257 0.022 18231 1554 1 4 . 1 1 6 6 THR H H 6 8.316 8.316 7.573 0.743 18231 1555 1 4 . 1 1 7 7 ALA N N 7 126.118 126.118 124.780 1.338 18231 1556 1 4 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.184 -0.048 18231 1557 1 4 . 1 1 7 7 ALA C C 7 173.544 173.544 180.047 -6.503 18231 1558 1 4 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.846 -0.008 18231 1559 1 4 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.257 -0.807 18231 1560 1 4 . 1 1 7 7 ALA H H 7 8.167 8.167 7.595 0.572 18231 1561 1 4 . 1 1 8 8 MET N N 8 117.610 117.610 117.965 -0.355 18231 1562 1 4 . 1 1 8 8 MET HA H 8 4.174 4.174 4.072 0.102 18231 1563 1 4 . 1 1 8 8 MET C C 8 175.513 175.513 178.733 -3.220 18231 1564 1 4 . 1 1 8 8 MET CA C 8 61.988 61.988 59.504 2.484 18231 1565 1 4 . 1 1 8 8 MET CB C 8 26.277 26.277 32.460 -6.183 18231 1566 1 4 . 1 1 8 8 MET H H 8 8.286 8.286 7.720 0.566 18231 1567 1 4 . 1 1 9 9 GLU N N 9 117.751 117.751 119.071 -1.320 18231 1568 1 4 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.061 -0.141 18231 1569 1 4 . 1 1 9 9 GLU C C 9 174.479 174.479 179.065 -4.586 18231 1570 1 4 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.462 -0.043 18231 1571 1 4 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.642 -0.628 18231 1572 1 4 . 1 1 9 9 GLU H H 9 8.055 8.055 7.901 0.154 18231 1573 1 4 . 1 1 10 10 THR N N 10 117.936 117.936 114.685 3.251 18231 1574 1 4 . 1 1 10 10 THR HA H 10 4.083 4.083 4.167 -0.084 18231 1575 1 4 . 1 1 10 10 THR C C 10 177.781 177.781 176.657 1.124 18231 1576 1 4 . 1 1 10 10 THR CA C 10 66.869 66.869 66.464 0.405 18231 1577 1 4 . 1 1 10 10 THR CB C 10 67.663 67.663 68.674 -1.011 18231 1578 1 4 . 1 1 10 10 THR H H 10 8.398 8.398 8.249 0.149 18231 1579 1 4 . 1 1 11 11 LEU N N 11 119.632 119.632 122.000 -2.368 18231 1580 1 4 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.376 -0.420 18231 1581 1 4 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.417 0.451 18231 1582 1 4 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.252 0.345 18231 1583 1 4 . 1 1 11 11 LEU H H 11 8.134 8.134 7.615 0.519 18231 1584 1 4 . 1 1 12 12 ILE N N 12 119.532 119.532 120.026 -0.494 18231 1585 1 4 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.333 0.635 18231 1586 1 4 . 1 1 12 12 ILE C C 12 175.378 175.378 178.043 -2.665 18231 1587 1 4 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.771 -0.399 18231 1588 1 4 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.363 1.569 18231 1589 1 4 . 1 1 12 12 ILE H H 12 7.751 7.751 7.758 -0.007 18231 1590 1 4 . 1 1 13 13 ASN N N 13 121.617 121.617 119.051 2.566 18231 1591 1 4 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.421 0.106 18231 1592 1 4 . 1 1 13 13 ASN C C 13 174.457 174.457 177.793 -3.336 18231 1593 1 4 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.336 -0.276 18231 1594 1 4 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.727 -1.070 18231 1595 1 4 . 1 1 13 13 ASN H H 13 9.012 9.012 8.502 0.510 18231 1596 1 4 . 1 1 14 14 VAL N N 14 120.538 120.538 118.273 2.265 18231 1597 1 4 . 1 1 14 14 VAL HA H 14 3.815 3.815 4.004 -0.189 18231 1598 1 4 . 1 1 14 14 VAL C C 14 176.194 176.194 177.584 -1.390 18231 1599 1 4 . 1 1 14 14 VAL CA C 14 66.080 66.080 65.162 0.918 18231 1600 1 4 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.013 0.558 18231 1601 1 4 . 1 1 14 14 VAL H H 14 8.951 8.951 8.463 0.488 18231 1602 1 4 . 1 1 15 15 PHE N N 15 117.397 117.397 122.716 -5.319 18231 1603 1 4 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.105 -0.636 18231 1604 1 4 . 1 1 15 15 PHE C C 15 176.028 176.028 177.137 -1.109 18231 1605 1 4 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.683 -0.520 18231 1606 1 4 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.199 -0.264 18231 1607 1 4 . 1 1 15 15 PHE H H 15 6.953 6.953 8.620 -1.667 18231 1608 1 4 . 1 1 16 16 HIS N N 16 115.032 115.032 119.891 -4.859 18231 1609 1 4 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.135 0.701 18231 1610 1 4 . 1 1 16 16 HIS C C 16 176.028 176.028 177.245 -1.217 18231 1611 1 4 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.705 -1.688 18231 1612 1 4 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.865 -1.584 18231 1613 1 4 . 1 1 16 16 HIS H H 16 7.736 7.736 8.806 -1.070 18231 1614 1 4 . 1 1 17 17 ALA N N 17 123.252 123.252 121.026 2.226 18231 1615 1 4 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.824 0.224 18231 1616 1 4 . 1 1 17 17 ALA C C 17 174.507 174.507 179.734 -5.227 18231 1617 1 4 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.886 -1.191 18231 1618 1 4 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.975 -0.621 18231 1619 1 4 . 1 1 17 17 ALA H H 17 8.070 8.070 8.024 0.046 18231 1620 1 4 . 1 1 18 18 HIS N N 18 113.812 113.812 116.788 -2.976 18231 1621 1 4 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.213 0.177 18231 1622 1 4 . 1 1 18 18 HIS C C 18 177.747 177.747 178.555 -0.808 18231 1623 1 4 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.195 -2.260 18231 1624 1 4 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.454 2.686 18231 1625 1 4 . 1 1 18 18 HIS H H 18 7.043 7.043 8.192 -1.149 18231 1626 1 4 . 1 1 19 19 SER N N 19 113.634 113.634 116.283 -2.649 18231 1627 1 4 . 1 1 19 19 SER HA H 19 3.673 3.673 4.235 -0.562 18231 1628 1 4 . 1 1 19 19 SER C C 19 176.511 176.511 176.883 -0.372 18231 1629 1 4 . 1 1 19 19 SER CA C 19 60.926 60.926 60.880 0.046 18231 1630 1 4 . 1 1 19 19 SER CB C 19 60.919 60.919 62.741 -1.822 18231 1631 1 4 . 1 1 19 19 SER H H 19 8.489 8.489 8.215 0.274 18231 1632 1 4 . 1 1 20 20 GLY N N 20 111.572 111.572 108.747 2.825 18231 1633 1 4 . 1 1 20 20 GLY C C 20 179.798 179.798 175.328 4.470 18231 1634 1 4 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.310 -1.218 18231 1635 1 4 . 1 1 20 20 GLY H H 20 7.734 7.734 8.034 -0.300 18231 1636 1 4 . 1 1 21 21 LYS N N 21 122.204 122.204 120.837 1.367 18231 1637 1 4 . 1 1 21 21 LYS HA H 21 3.924 3.924 3.989 -0.065 18231 1638 1 4 . 1 1 21 21 LYS C C 21 176.162 176.162 177.475 -1.313 18231 1639 1 4 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.642 0.454 18231 1640 1 4 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.538 -0.639 18231 1641 1 4 . 1 1 21 21 LYS H H 21 7.196 7.196 7.699 -0.503 18231 1642 1 4 . 1 1 22 22 GLU N N 22 115.840 115.840 118.202 -2.362 18231 1643 1 4 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.430 0.237 18231 1644 1 4 . 1 1 22 22 GLU C C 22 176.511 176.511 176.247 0.264 18231 1645 1 4 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.270 -1.488 18231 1646 1 4 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.201 3.439 18231 1647 1 4 . 1 1 22 22 GLU H H 22 9.363 9.363 7.589 1.774 18231 1648 1 4 . 1 1 23 23 GLY N N 23 111.558 111.558 110.711 0.847 18231 1649 1 4 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.378 0.122 18231 1650 1 4 . 1 1 23 23 GLY H H 23 7.710 7.710 7.998 -0.288 18231 1651 1 4 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.213 0.195 18231 1652 1 4 . 1 1 24 24 ASP C C 24 173.495 173.495 176.810 -3.315 18231 1653 1 4 . 1 1 24 24 ASP CA C 24 54.717 54.717 55.172 -0.455 18231 1654 1 4 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.273 2.787 18231 1655 1 4 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.847 0.440 18231 1656 1 4 . 1 1 25 25 LYS CA C 25 57.529 57.529 58.842 -1.313 18231 1657 1 4 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.365 -1.456 18231 1658 1 4 . 1 1 26 26 TYR N N 26 119.467 119.467 115.522 3.945 18231 1659 1 4 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.501 0.210 18231 1660 1 4 . 1 1 26 26 TYR C C 26 179.682 179.682 176.318 3.364 18231 1661 1 4 . 1 1 26 26 TYR CA C 26 55.824 55.824 57.673 -1.849 18231 1662 1 4 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.023 -0.352 18231 1663 1 4 . 1 1 26 26 TYR H H 26 9.377 9.377 8.025 1.352 18231 1664 1 4 . 1 1 27 27 LYS N N 27 114.770 114.770 118.085 -3.315 18231 1665 1 4 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.657 0.465 18231 1666 1 4 . 1 1 27 27 LYS C C 27 178.721 178.721 175.168 3.553 18231 1667 1 4 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.713 0.014 18231 1668 1 4 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.658 2.831 18231 1669 1 4 . 1 1 27 27 LYS H H 27 7.100 7.100 7.711 -0.611 18231 1670 1 4 . 1 1 28 28 LEU N N 28 125.858 125.858 126.446 -0.588 18231 1671 1 4 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.984 0.199 18231 1672 1 4 . 1 1 28 28 LEU C C 28 177.490 177.490 175.701 1.789 18231 1673 1 4 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.367 -1.034 18231 1674 1 4 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.856 -2.270 18231 1675 1 4 . 1 1 28 28 LEU H H 28 9.750 9.750 8.416 1.334 18231 1676 1 4 . 1 1 29 29 SER N N 29 120.926 120.926 120.515 0.411 18231 1677 1 4 . 1 1 29 29 SER HA H 29 4.560 4.560 4.797 -0.237 18231 1678 1 4 . 1 1 29 29 SER C C 29 178.943 178.943 175.538 3.405 18231 1679 1 4 . 1 1 29 29 SER CA C 29 55.907 55.907 56.146 -0.239 18231 1680 1 4 . 1 1 29 29 SER CB C 29 65.035 65.035 66.182 -1.147 18231 1681 1 4 . 1 1 29 29 SER H H 29 9.907 9.907 8.380 1.527 18231 1682 1 4 . 1 1 30 30 LYS N N 30 120.263 120.263 124.192 -3.929 18231 1683 1 4 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.935 -0.084 18231 1684 1 4 . 1 1 30 30 LYS C C 30 175.519 175.519 178.453 -2.934 18231 1685 1 4 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.576 0.084 18231 1686 1 4 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.211 -0.473 18231 1687 1 4 . 1 1 30 30 LYS H H 30 8.838 8.838 8.899 -0.061 18231 1688 1 4 . 1 1 31 31 LYS N N 31 118.292 118.292 118.135 0.157 18231 1689 1 4 . 1 1 31 31 LYS HA H 31 3.922 3.922 3.997 -0.075 18231 1690 1 4 . 1 1 31 31 LYS C C 31 174.664 174.664 179.374 -4.710 18231 1691 1 4 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.524 -0.226 18231 1692 1 4 . 1 1 31 31 LYS CB C 31 32.665 32.665 31.930 0.735 18231 1693 1 4 . 1 1 31 31 LYS H H 31 7.903 7.903 8.417 -0.514 18231 1694 1 4 . 1 1 32 32 GLU N N 32 119.243 119.243 119.317 -0.074 18231 1695 1 4 . 1 1 32 32 GLU HA H 32 3.907 3.907 3.975 -0.068 18231 1696 1 4 . 1 1 32 32 GLU C C 32 174.836 174.836 178.927 -4.091 18231 1697 1 4 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.183 -0.867 18231 1698 1 4 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.755 1.122 18231 1699 1 4 . 1 1 32 32 GLU H H 32 7.499 7.499 7.654 -0.155 18231 1700 1 4 . 1 1 33 33 LEU N N 33 119.432 119.432 119.612 -0.180 18231 1701 1 4 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.160 -0.242 18231 1702 1 4 . 1 1 33 33 LEU C C 33 175.740 175.740 178.027 -2.287 18231 1703 1 4 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.426 -0.157 18231 1704 1 4 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.299 -0.318 18231 1705 1 4 . 1 1 33 33 LEU H H 33 9.062 9.062 8.310 0.752 18231 1706 1 4 . 1 1 34 34 LYS N N 34 119.090 119.090 120.725 -1.635 18231 1707 1 4 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.843 -0.189 18231 1708 1 4 . 1 1 34 34 LYS C C 34 175.916 175.916 178.264 -2.348 18231 1709 1 4 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.334 -0.050 18231 1710 1 4 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.074 -0.674 18231 1711 1 4 . 1 1 34 34 LYS H H 34 8.236 8.236 8.617 -0.381 18231 1712 1 4 . 1 1 35 35 GLU N N 35 117.482 117.482 119.228 -1.746 18231 1713 1 4 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.001 -0.004 18231 1714 1 4 . 1 1 35 35 GLU C C 35 174.549 174.549 178.596 -4.047 18231 1715 1 4 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.615 -0.386 18231 1716 1 4 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.373 -0.541 18231 1717 1 4 . 1 1 35 35 GLU H H 35 7.734 7.734 7.620 0.114 18231 1718 1 4 . 1 1 36 36 LEU N N 36 124.601 124.601 119.469 5.132 18231 1719 1 4 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.931 -1.243 18231 1720 1 4 . 1 1 36 36 LEU C C 36 174.780 174.780 179.369 -4.589 18231 1721 1 4 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.884 1.443 18231 1722 1 4 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.199 0.436 18231 1723 1 4 . 1 1 36 36 LEU H H 36 8.308 8.308 7.197 1.111 18231 1724 1 4 . 1 1 37 37 LEU N N 37 118.901 118.901 119.568 -0.667 18231 1725 1 4 . 1 1 37 37 LEU HA H 37 3.733 3.733 4.036 -0.303 18231 1726 1 4 . 1 1 37 37 LEU C C 37 174.771 174.771 179.728 -4.957 18231 1727 1 4 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.880 0.033 18231 1728 1 4 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.502 -0.216 18231 1729 1 4 . 1 1 37 37 LEU H H 37 8.663 8.663 8.425 0.238 18231 1730 1 4 . 1 1 38 38 GLN N N 38 114.582 114.582 118.625 -4.043 18231 1731 1 4 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.039 -0.082 18231 1732 1 4 . 1 1 38 38 GLN C C 38 175.747 175.747 177.748 -2.001 18231 1733 1 4 . 1 1 38 38 GLN CA C 38 58.171 58.171 59.008 -0.837 18231 1734 1 4 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.954 -0.325 18231 1735 1 4 . 1 1 38 38 GLN H H 38 8.507 8.507 8.349 0.158 18231 1736 1 4 . 1 1 39 39 THR N N 39 110.227 110.227 113.743 -3.516 18231 1737 1 4 . 1 1 39 39 THR HA H 39 4.252 4.252 3.879 0.373 18231 1738 1 4 . 1 1 39 39 THR C C 39 176.966 176.966 175.769 1.197 18231 1739 1 4 . 1 1 39 39 THR CA C 39 64.485 64.485 65.807 -1.322 18231 1740 1 4 . 1 1 39 39 THR CB C 39 69.254 69.254 68.768 0.486 18231 1741 1 4 . 1 1 39 39 THR H H 39 7.845 7.845 8.007 -0.162 18231 1742 1 4 . 1 1 40 40 GLU N N 40 117.400 117.400 120.473 -3.073 18231 1743 1 4 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.146 0.004 18231 1744 1 4 . 1 1 40 40 GLU C C 40 177.343 177.343 176.846 0.497 18231 1745 1 4 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.543 -1.974 18231 1746 1 4 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.188 -0.607 18231 1747 1 4 . 1 1 40 40 GLU H H 40 8.460 8.460 8.079 0.381 18231 1748 1 4 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.602 0.425 18231 1749 1 4 . 1 1 41 41 LEU C C 41 176.458 176.458 177.750 -1.292 18231 1750 1 4 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.889 -1.454 18231 1751 1 4 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.661 0.646 18231 1752 1 4 . 1 1 42 42 SER N N 42 116.528 116.528 120.306 -3.778 18231 1753 1 4 . 1 1 42 42 SER HA H 42 4.062 4.062 4.436 -0.374 18231 1754 1 4 . 1 1 42 42 SER CA C 42 61.213 61.213 61.282 -0.069 18231 1755 1 4 . 1 1 42 42 SER CB C 42 62.378 62.378 62.834 -0.457 18231 1756 1 4 . 1 1 42 42 SER H H 42 8.246 8.246 9.048 -0.802 18231 1757 1 4 . 1 1 43 43 GLY N N 43 111.367 111.367 108.322 3.045 18231 1758 1 4 . 1 1 43 43 GLY C C 43 177.750 177.750 176.008 1.742 18231 1759 1 4 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.248 -0.510 18231 1760 1 4 . 1 1 43 43 GLY H H 43 8.850 8.850 8.637 0.213 18231 1761 1 4 . 1 1 44 44 PHE N N 44 122.213 122.213 121.419 0.794 18231 1762 1 4 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.097 0.266 18231 1763 1 4 . 1 1 44 44 PHE C C 44 176.428 176.428 177.156 -0.728 18231 1764 1 4 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.876 -0.362 18231 1765 1 4 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.116 1.216 18231 1766 1 4 . 1 1 44 44 PHE H H 44 7.936 7.936 8.040 -0.104 18231 1767 1 4 . 1 1 45 45 LEU N N 45 119.395 119.395 120.093 -0.698 18231 1768 1 4 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.435 0.596 18231 1769 1 4 . 1 1 45 45 LEU C C 45 177.212 177.212 179.127 -1.915 18231 1770 1 4 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.127 0.241 18231 1771 1 4 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.497 -0.456 18231 1772 1 4 . 1 1 45 45 LEU H H 45 8.133 8.133 6.409 1.724 18231 1773 1 4 . 1 1 46 46 ASP N N 46 117.384 117.384 118.970 -1.586 18231 1774 1 4 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.258 0.124 18231 1775 1 4 . 1 1 46 46 ASP C C 46 176.684 176.684 178.142 -1.458 18231 1776 1 4 . 1 1 46 46 ASP CA C 46 55.312 55.312 56.856 -1.544 18231 1777 1 4 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.843 0.697 18231 1778 1 4 . 1 1 46 46 ASP H H 46 8.139 8.139 8.210 -0.071 18231 1779 1 4 . 1 1 47 47 ALA N N 47 121.052 121.052 122.140 -1.088 18231 1780 1 4 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.047 0.117 18231 1781 1 4 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.613 -2.068 18231 1782 1 4 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.315 0.034 18231 1783 1 4 . 1 1 47 47 ALA H H 47 7.637 7.637 7.819 -0.182 18231 1784 1 4 . 1 1 48 48 GLN N N 48 116.271 116.271 118.206 -1.935 18231 1785 1 4 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.035 0.105 18231 1786 1 4 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.626 -3.647 18231 1787 1 4 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.434 -0.363 18231 1788 1 4 . 1 1 48 48 GLN H H 48 7.661 7.661 7.807 -0.146 18231 1789 1 4 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.087 0.042 18231 1790 1 4 . 1 1 49 49 LYS C C 49 177.345 177.345 177.240 0.105 18231 1791 1 4 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.157 -1.910 18231 1792 1 4 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.744 -0.964 18231 1793 1 4 . 1 1 50 50 ASP N N 50 118.526 118.526 118.027 0.499 18231 1794 1 4 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.776 -0.119 18231 1795 1 4 . 1 1 50 50 ASP C C 50 177.422 177.422 176.146 1.276 18231 1796 1 4 . 1 1 50 50 ASP CA C 50 53.834 53.834 53.240 0.594 18231 1797 1 4 . 1 1 50 50 ASP CB C 50 41.689 41.689 40.977 0.712 18231 1798 1 4 . 1 1 50 50 ASP H H 50 7.975 7.975 7.754 0.221 18231 1799 1 4 . 1 1 51 51 VAL N N 51 120.868 120.868 124.619 -3.751 18231 1800 1 4 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.769 0.211 18231 1801 1 4 . 1 1 51 51 VAL C C 51 177.212 177.212 176.766 0.446 18231 1802 1 4 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.086 -1.737 18231 1803 1 4 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.091 -0.355 18231 1804 1 4 . 1 1 51 51 VAL H H 51 8.225 8.225 8.662 -0.437 18231 1805 1 4 . 1 1 52 52 ASP N N 52 121.054 121.054 120.368 0.686 18231 1806 1 4 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.326 0.452 18231 1807 1 4 . 1 1 52 52 ASP C C 52 176.912 176.912 177.846 -0.934 18231 1808 1 4 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.033 -3.644 18231 1809 1 4 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.865 0.206 18231 1810 1 4 . 1 1 52 52 ASP H H 52 8.403 8.403 8.070 0.333 18231 1811 1 4 . 1 1 53 53 ALA N N 53 123.449 123.449 121.962 1.487 18231 1812 1 4 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.061 -0.124 18231 1813 1 4 . 1 1 53 53 ALA C C 53 174.124 174.124 179.172 -5.048 18231 1814 1 4 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.921 0.042 18231 1815 1 4 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.388 0.485 18231 1816 1 4 . 1 1 53 53 ALA H H 53 7.757 7.757 7.819 -0.062 18231 1817 1 4 . 1 1 54 54 VAL N N 54 116.105 116.105 114.130 1.975 18231 1818 1 4 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.642 -0.184 18231 1819 1 4 . 1 1 54 54 VAL C C 54 176.953 176.953 177.098 -0.145 18231 1820 1 4 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.034 -0.139 18231 1821 1 4 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.230 -0.650 18231 1822 1 4 . 1 1 54 54 VAL H H 54 8.281 8.281 8.075 0.206 18231 1823 1 4 . 1 1 55 55 ASP N N 55 120.466 120.466 121.482 -1.016 18231 1824 1 4 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.430 -0.265 18231 1825 1 4 . 1 1 55 55 ASP C C 55 174.997 174.997 178.667 -3.670 18231 1826 1 4 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.369 -0.169 18231 1827 1 4 . 1 1 55 55 ASP CB C 55 40.520 40.520 39.985 0.535 18231 1828 1 4 . 1 1 55 55 ASP H H 55 7.667 7.667 8.162 -0.495 18231 1829 1 4 . 1 1 56 56 LYS N N 56 119.065 119.065 120.451 -1.386 18231 1830 1 4 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.042 -0.063 18231 1831 1 4 . 1 1 56 56 LYS C C 56 174.602 174.602 179.146 -4.544 18231 1832 1 4 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.477 -0.932 18231 1833 1 4 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.531 -0.931 18231 1834 1 4 . 1 1 56 56 LYS H H 56 7.628 7.628 7.459 0.169 18231 1835 1 4 . 1 1 57 57 VAL N N 57 119.756 119.756 120.097 -0.341 18231 1836 1 4 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.643 0.084 18231 1837 1 4 . 1 1 57 57 VAL C C 57 175.782 175.782 177.970 -2.188 18231 1838 1 4 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.807 -1.208 18231 1839 1 4 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.917 -0.670 18231 1840 1 4 . 1 1 57 57 VAL H H 57 7.920 7.920 8.082 -0.162 18231 1841 1 4 . 1 1 58 58 MET N N 58 118.541 118.541 119.465 -0.924 18231 1842 1 4 . 1 1 58 58 MET HA H 58 3.936 3.936 4.038 -0.102 18231 1843 1 4 . 1 1 58 58 MET C C 58 176.330 176.330 177.469 -1.139 18231 1844 1 4 . 1 1 58 58 MET CA C 58 58.620 58.620 58.976 -0.356 18231 1845 1 4 . 1 1 58 58 MET CB C 58 32.002 32.002 32.440 -0.438 18231 1846 1 4 . 1 1 58 58 MET H H 58 8.426 8.426 8.321 0.105 18231 1847 1 4 . 1 1 59 59 LYS N N 59 116.084 116.084 119.580 -3.496 18231 1848 1 4 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.892 0.044 18231 1849 1 4 . 1 1 59 59 LYS C C 59 176.918 176.918 178.427 -1.509 18231 1850 1 4 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.772 -1.098 18231 1851 1 4 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.441 0.161 18231 1852 1 4 . 1 1 59 59 LYS H H 59 7.623 7.623 8.270 -0.647 18231 1853 1 4 . 1 1 60 60 GLU N N 60 117.227 117.227 116.648 0.579 18231 1854 1 4 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.145 -0.090 18231 1855 1 4 . 1 1 60 60 GLU C C 60 175.146 175.146 178.432 -3.286 18231 1856 1 4 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.327 -0.296 18231 1857 1 4 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.585 -0.271 18231 1858 1 4 . 1 1 60 60 GLU H H 60 7.592 7.592 7.622 -0.030 18231 1859 1 4 . 1 1 61 61 LEU N N 61 116.051 116.051 120.789 -4.738 18231 1860 1 4 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.123 0.240 18231 1861 1 4 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.805 -1.946 18231 1862 1 4 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.617 0.960 18231 1863 1 4 . 1 1 61 61 LEU H H 61 8.045 8.045 7.322 0.723 18231 1864 1 4 . 1 1 62 62 ASP N N 62 116.891 116.891 116.723 0.168 18231 1865 1 4 . 1 1 62 62 ASP HA H 62 4.700 4.700 5.004 -0.304 18231 1866 1 4 . 1 1 62 62 ASP C C 62 176.806 176.806 176.496 0.310 18231 1867 1 4 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.682 -0.566 18231 1868 1 4 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.615 -1.964 18231 1869 1 4 . 1 1 62 62 ASP H H 62 8.008 8.008 7.843 0.165 18231 1870 1 4 . 1 1 63 63 GLU N N 63 129.185 129.185 127.093 2.092 18231 1871 1 4 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.063 -0.009 18231 1872 1 4 . 1 1 63 63 GLU C C 63 175.826 175.826 177.479 -1.653 18231 1873 1 4 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.653 -0.335 18231 1874 1 4 . 1 1 63 63 GLU CB C 63 30.218 30.218 30.112 0.106 18231 1875 1 4 . 1 1 63 63 GLU H H 63 8.347 8.347 8.740 -0.393 18231 1876 1 4 . 1 1 64 64 ASN N N 64 112.618 112.618 114.757 -2.139 18231 1877 1 4 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.724 0.024 18231 1878 1 4 . 1 1 64 64 ASN C C 64 176.855 176.855 175.783 1.072 18231 1879 1 4 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.310 -0.684 18231 1880 1 4 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.314 -1.441 18231 1881 1 4 . 1 1 64 64 ASN H H 64 7.978 7.978 7.913 0.065 18231 1882 1 4 . 1 1 65 65 GLY N N 65 109.111 109.111 108.633 0.478 18231 1883 1 4 . 1 1 65 65 GLY C C 65 178.426 178.426 175.119 3.307 18231 1884 1 4 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.249 0.790 18231 1885 1 4 . 1 1 65 65 GLY H H 65 7.543 7.543 7.859 -0.316 18231 1886 1 4 . 1 1 66 66 ASP N N 66 119.205 119.205 119.719 -0.514 18231 1887 1 4 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.359 0.182 18231 1888 1 4 . 1 1 66 66 ASP C C 66 176.015 176.015 177.921 -1.906 18231 1889 1 4 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.628 -1.789 18231 1890 1 4 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.298 -1.422 18231 1891 1 4 . 1 1 66 66 ASP H H 66 8.113 8.113 8.408 -0.295 18231 1892 1 4 . 1 1 67 67 GLY N N 67 113.254 113.254 108.638 4.616 18231 1893 1 4 . 1 1 67 67 GLY C C 67 180.780 180.780 173.454 7.326 18231 1894 1 4 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.996 0.217 18231 1895 1 4 . 1 1 67 67 GLY H H 67 10.267 10.267 9.156 1.111 18231 1896 1 4 . 1 1 68 68 GLU N N 68 116.975 116.975 119.262 -2.287 18231 1897 1 4 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.702 0.108 18231 1898 1 4 . 1 1 68 68 GLU C C 68 178.130 178.130 174.586 3.544 18231 1899 1 4 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.778 -0.648 18231 1900 1 4 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.615 2.137 18231 1901 1 4 . 1 1 68 68 GLU H H 68 7.714 7.714 8.745 -1.031 18231 1902 1 4 . 1 1 69 69 VAL N N 69 125.146 125.146 122.185 2.961 18231 1903 1 4 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.624 0.625 18231 1904 1 4 . 1 1 69 69 VAL C C 69 177.413 177.413 175.860 1.553 18231 1905 1 4 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.417 -0.715 18231 1906 1 4 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.266 0.221 18231 1907 1 4 . 1 1 69 69 VAL H H 69 9.389 9.389 7.939 1.450 18231 1908 1 4 . 1 1 70 70 ASP N N 70 129.202 129.202 127.528 1.674 18231 1909 1 4 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.041 0.128 18231 1910 1 4 . 1 1 70 70 ASP C C 70 178.332 178.332 176.950 1.382 18231 1911 1 4 . 1 1 70 70 ASP CA C 70 52.145 52.145 52.412 -0.267 18231 1912 1 4 . 1 1 70 70 ASP CB C 70 41.097 41.097 43.356 -2.259 18231 1913 1 4 . 1 1 70 70 ASP H H 70 9.109 9.109 8.388 0.721 18231 1914 1 4 . 1 1 71 71 PHE N N 71 118.298 118.298 123.469 -5.171 18231 1915 1 4 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.573 -0.646 18231 1916 1 4 . 1 1 71 71 PHE C C 71 176.763 176.763 176.651 0.112 18231 1917 1 4 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.844 1.207 18231 1918 1 4 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.768 0.221 18231 1919 1 4 . 1 1 71 71 PHE H H 71 8.938 8.938 8.891 0.047 18231 1920 1 4 . 1 1 72 72 GLN N N 72 116.762 116.762 116.364 0.398 18231 1921 1 4 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.771 -0.077 18231 1922 1 4 . 1 1 72 72 GLN C C 72 175.208 175.208 178.493 -3.285 18231 1923 1 4 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.515 -0.296 18231 1924 1 4 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.028 -0.222 18231 1925 1 4 . 1 1 72 72 GLN H H 72 7.997 7.997 8.869 -0.872 18231 1926 1 4 . 1 1 73 73 GLU N N 73 120.146 120.146 120.728 -0.582 18231 1927 1 4 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.986 0.110 18231 1928 1 4 . 1 1 73 73 GLU C C 73 174.746 174.746 178.619 -3.873 18231 1929 1 4 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.365 -1.261 18231 1930 1 4 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.673 0.173 18231 1931 1 4 . 1 1 73 73 GLU H H 73 8.289 8.289 7.785 0.504 18231 1932 1 4 . 1 1 74 74 TYR N N 74 121.506 121.506 121.447 0.059 18231 1933 1 4 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.123 -0.010 18231 1934 1 4 . 1 1 74 74 TYR C C 74 176.925 176.925 177.602 -0.677 18231 1935 1 4 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.707 -2.606 18231 1936 1 4 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.629 -1.257 18231 1937 1 4 . 1 1 74 74 TYR H H 74 8.324 8.324 8.347 -0.023 18231 1938 1 4 . 1 1 75 75 VAL N N 75 120.725 120.725 118.647 2.078 18231 1939 1 4 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.349 -0.476 18231 1940 1 4 . 1 1 75 75 VAL C C 75 176.738 176.738 177.842 -1.104 18231 1941 1 4 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.367 -0.487 18231 1942 1 4 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.602 0.398 18231 1943 1 4 . 1 1 75 75 VAL H H 75 8.074 8.074 8.277 -0.203 18231 1944 1 4 . 1 1 76 76 VAL N N 76 120.118 120.118 119.636 0.482 18231 1945 1 4 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.563 -0.143 18231 1946 1 4 . 1 1 76 76 VAL C C 76 174.620 174.620 178.173 -3.553 18231 1947 1 4 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.478 -0.069 18231 1948 1 4 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.149 -0.373 18231 1949 1 4 . 1 1 76 76 VAL H H 76 7.119 7.119 7.400 -0.281 18231 1950 1 4 . 1 1 77 77 LEU N N 77 120.709 120.709 121.010 -0.301 18231 1951 1 4 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.020 0.010 18231 1952 1 4 . 1 1 77 77 LEU C C 77 175.943 175.943 178.722 -2.779 18231 1953 1 4 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.172 -1.232 18231 1954 1 4 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.883 -0.775 18231 1955 1 4 . 1 1 77 77 LEU H H 77 6.865 6.865 8.015 -1.150 18231 1956 1 4 . 1 1 78 78 VAL N N 78 116.930 116.930 115.381 1.549 18231 1957 1 4 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.596 -0.456 18231 1958 1 4 . 1 1 78 78 VAL C C 78 174.150 174.150 177.520 -3.370 18231 1959 1 4 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.780 0.598 18231 1960 1 4 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.975 -0.746 18231 1961 1 4 . 1 1 78 78 VAL H H 78 7.539 7.539 7.969 -0.430 18231 1962 1 4 . 1 1 79 79 ALA N N 79 124.551 124.551 122.360 2.191 18231 1963 1 4 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.917 -0.225 18231 1964 1 4 . 1 1 79 79 ALA C C 79 175.111 175.111 179.194 -4.083 18231 1965 1 4 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.160 0.332 18231 1966 1 4 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.971 -0.509 18231 1967 1 4 . 1 1 79 79 ALA H H 79 8.918 8.918 8.235 0.683 18231 1968 1 4 . 1 1 80 80 ALA N N 80 120.223 120.223 120.987 -0.764 18231 1969 1 4 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.108 -0.043 18231 1970 1 4 . 1 1 80 80 ALA C C 80 171.473 171.473 179.317 -7.844 18231 1971 1 4 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.614 0.312 18231 1972 1 4 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.330 -0.904 18231 1973 1 4 . 1 1 80 80 ALA H H 80 7.760 7.760 7.712 0.048 18231 1974 1 4 . 1 1 81 81 LEU N N 81 119.090 119.090 119.533 -0.443 18231 1975 1 4 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.965 0.123 18231 1976 1 4 . 1 1 81 81 LEU C C 81 174.008 174.008 178.631 -4.623 18231 1977 1 4 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.752 -0.095 18231 1978 1 4 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.948 0.283 18231 1979 1 4 . 1 1 81 81 LEU H H 81 8.542 8.542 8.097 0.445 18231 1980 1 4 . 1 1 82 82 THR N N 82 119.585 119.585 113.884 5.701 18231 1981 1 4 . 1 1 82 82 THR HA H 82 4.332 4.332 4.033 0.299 18231 1982 1 4 . 1 1 82 82 THR C C 82 176.758 176.758 176.647 0.111 18231 1983 1 4 . 1 1 82 82 THR CA C 82 67.286 67.286 66.134 1.152 18231 1984 1 4 . 1 1 82 82 THR CB C 82 68.127 68.127 68.633 -0.506 18231 1985 1 4 . 1 1 82 82 THR H H 82 8.421 8.421 8.109 0.312 18231 1986 1 4 . 1 1 83 83 VAL N N 83 121.934 121.934 121.808 0.126 18231 1987 1 4 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.836 -0.121 18231 1988 1 4 . 1 1 83 83 VAL C C 83 175.556 175.556 178.194 -2.638 18231 1989 1 4 . 1 1 83 83 VAL CA C 83 66.903 66.903 65.356 1.547 18231 1990 1 4 . 1 1 83 83 VAL CB C 83 31.546 31.546 30.968 0.578 18231 1991 1 4 . 1 1 83 83 VAL H H 83 8.077 8.077 7.457 0.620 18231 1992 1 4 . 1 1 84 84 ALA N N 84 121.367 121.367 122.416 -1.049 18231 1993 1 4 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.127 0.074 18231 1994 1 4 . 1 1 84 84 ALA C C 84 173.936 173.936 179.604 -5.668 18231 1995 1 4 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.229 0.051 18231 1996 1 4 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.964 -0.357 18231 1997 1 4 . 1 1 84 84 ALA H H 84 7.835 7.835 8.365 -0.530 18231 1998 1 4 . 1 1 85 85 CYS N N 85 116.731 116.731 116.549 0.182 18231 1999 1 4 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.091 0.146 18231 2000 1 4 . 1 1 85 85 CYS CA C 85 56.651 56.651 63.171 -6.520 18231 2001 1 4 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.255 12.715 18231 2002 1 4 . 1 1 85 85 CYS H H 85 8.244 8.244 7.925 0.319 18231 2003 1 4 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.473 -0.090 18231 2004 1 4 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.295 -1.316 18231 2005 1 4 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.173 2.318 18231 2006 1 4 . 1 1 87 87 ASN N N 87 120.372 120.372 119.073 1.299 18231 2007 1 4 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.759 -0.362 18231 2008 1 4 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.724 -0.755 18231 2009 1 4 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.460 -1.072 18231 2010 1 4 . 1 1 87 87 ASN H H 87 7.539 7.539 7.663 -0.124 18231 2011 1 4 . 1 1 88 88 PHE N N 88 118.684 118.684 120.989 -2.305 18231 2012 1 4 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.395 -0.023 18231 2013 1 4 . 1 1 88 88 PHE C C 88 177.050 177.050 177.255 -0.205 18231 2014 1 4 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.733 -2.360 18231 2015 1 4 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.964 0.055 18231 2016 1 4 . 1 1 88 88 PHE H H 88 7.862 7.862 8.487 -0.625 18231 2017 1 4 . 1 1 89 89 PHE N N 89 118.515 118.515 119.070 -0.555 18231 2018 1 4 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.033 0.255 18231 2019 1 4 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.920 -2.662 18231 2020 1 4 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.562 0.670 18231 2021 1 4 . 1 1 89 89 PHE H H 89 7.898 7.898 7.676 0.222 18231 2022 1 4 . 1 1 90 90 TRP N N 90 118.964 118.964 117.661 1.303 18231 2023 1 4 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.300 0.185 18231 2024 1 4 . 1 1 90 90 TRP C C 90 174.481 174.481 177.735 -3.254 18231 2025 1 4 . 1 1 90 90 TRP CA C 90 57.371 57.371 58.997 -1.626 18231 2026 1 4 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.404 -0.128 18231 2027 1 4 . 1 1 90 90 TRP H H 90 7.773 7.773 7.566 0.207 18231 2028 1 4 . 1 1 91 91 GLU N N 91 120.150 120.150 117.786 2.364 18231 2029 1 4 . 1 1 91 91 GLU HA H 91 4.057 4.057 3.965 0.092 18231 2030 1 4 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.523 0.454 18231 2031 1 4 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.811 0.283 18231 2032 1 4 . 1 1 91 91 GLU H H 91 7.812 7.812 7.531 0.281 18231 2033 1 4 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.012 0.656 18231 2034 1 4 . 1 1 92 92 ASN C C 92 175.577 175.577 173.417 2.160 18231 2035 1 4 . 1 1 92 92 ASN CA C 92 52.806 52.806 53.639 -0.833 18231 2036 1 4 . 1 1 92 92 ASN CB C 92 38.795 38.795 37.476 1.319 18231 2037 1 5 . 1 1 2 2 SER N N 2 118.234 118.234 117.240 0.994 18231 2038 1 5 . 1 1 2 2 SER HA H 2 4.750 4.750 4.747 0.003 18231 2039 1 5 . 1 1 2 2 SER C C 2 178.105 178.105 175.365 2.740 18231 2040 1 5 . 1 1 2 2 SER CA C 2 57.133 57.133 57.399 -0.266 18231 2041 1 5 . 1 1 2 2 SER CB C 2 64.624 64.624 65.704 -1.080 18231 2042 1 5 . 1 1 2 2 SER H H 2 9.007 9.007 8.388 0.619 18231 2043 1 5 . 1 1 3 3 GLU N N 3 123.466 123.466 124.228 -0.762 18231 2044 1 5 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.009 0.130 18231 2045 1 5 . 1 1 3 3 GLU C C 3 173.854 173.854 178.518 -4.664 18231 2046 1 5 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.869 1.241 18231 2047 1 5 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.787 -0.887 18231 2048 1 5 . 1 1 3 3 GLU H H 3 9.436 9.436 8.972 0.464 18231 2049 1 5 . 1 1 4 4 LEU N N 4 119.878 119.878 119.860 0.018 18231 2050 1 5 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.026 0.060 18231 2051 1 5 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.630 0.279 18231 2052 1 5 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.765 -0.360 18231 2053 1 5 . 1 1 4 4 LEU H H 4 8.891 8.891 8.043 0.848 18231 2054 1 5 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.036 -0.025 18231 2055 1 5 . 1 1 5 5 GLU C C 5 173.709 173.709 178.612 -4.903 18231 2056 1 5 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.486 0.110 18231 2057 1 5 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.203 -0.148 18231 2058 1 5 . 1 1 6 6 THR N N 6 116.614 116.614 116.108 0.506 18231 2059 1 5 . 1 1 6 6 THR HA H 6 4.019 4.019 4.034 -0.015 18231 2060 1 5 . 1 1 6 6 THR C C 6 176.965 176.965 176.169 0.796 18231 2061 1 5 . 1 1 6 6 THR CA C 6 66.175 66.175 66.164 0.011 18231 2062 1 5 . 1 1 6 6 THR CB C 6 68.280 68.280 68.635 -0.354 18231 2063 1 5 . 1 1 6 6 THR H H 6 8.316 8.316 7.372 0.944 18231 2064 1 5 . 1 1 7 7 ALA N N 7 126.118 126.118 124.101 2.017 18231 2065 1 5 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.119 0.017 18231 2066 1 5 . 1 1 7 7 ALA C C 7 173.544 173.544 180.090 -6.546 18231 2067 1 5 . 1 1 7 7 ALA CA C 7 54.838 54.838 55.091 -0.253 18231 2068 1 5 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.294 -0.844 18231 2069 1 5 . 1 1 7 7 ALA H H 7 8.167 8.167 7.569 0.598 18231 2070 1 5 . 1 1 8 8 MET N N 8 117.610 117.610 117.593 0.017 18231 2071 1 5 . 1 1 8 8 MET HA H 8 4.174 4.174 4.090 0.084 18231 2072 1 5 . 1 1 8 8 MET C C 8 175.513 175.513 178.494 -2.981 18231 2073 1 5 . 1 1 8 8 MET CA C 8 61.988 61.988 59.231 2.757 18231 2074 1 5 . 1 1 8 8 MET CB C 8 26.277 26.277 32.288 -6.011 18231 2075 1 5 . 1 1 8 8 MET H H 8 8.286 8.286 7.647 0.639 18231 2076 1 5 . 1 1 9 9 GLU N N 9 117.751 117.751 118.687 -0.936 18231 2077 1 5 . 1 1 9 9 GLU HA H 9 3.920 3.920 3.998 -0.078 18231 2078 1 5 . 1 1 9 9 GLU C C 9 174.479 174.479 179.031 -4.552 18231 2079 1 5 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.615 -0.196 18231 2080 1 5 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.655 -0.641 18231 2081 1 5 . 1 1 9 9 GLU H H 9 8.055 8.055 7.799 0.256 18231 2082 1 5 . 1 1 10 10 THR N N 10 117.936 117.936 114.846 3.090 18231 2083 1 5 . 1 1 10 10 THR HA H 10 4.083 4.083 4.081 0.002 18231 2084 1 5 . 1 1 10 10 THR C C 10 177.781 177.781 176.843 0.938 18231 2085 1 5 . 1 1 10 10 THR CA C 10 66.869 66.869 66.331 0.538 18231 2086 1 5 . 1 1 10 10 THR CB C 10 67.663 67.663 68.841 -1.178 18231 2087 1 5 . 1 1 10 10 THR H H 10 8.398 8.398 8.280 0.118 18231 2088 1 5 . 1 1 11 11 LEU N N 11 119.632 119.632 122.227 -2.595 18231 2089 1 5 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.253 -0.297 18231 2090 1 5 . 1 1 11 11 LEU CA C 11 58.868 58.868 59.061 -0.193 18231 2091 1 5 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.646 -0.049 18231 2092 1 5 . 1 1 11 11 LEU H H 11 8.134 8.134 7.601 0.533 18231 2093 1 5 . 1 1 12 12 ILE N N 12 119.532 119.532 119.808 -0.276 18231 2094 1 5 . 1 1 12 12 ILE HA H 12 3.968 3.968 2.994 0.974 18231 2095 1 5 . 1 1 12 12 ILE C C 12 175.378 175.378 177.940 -2.562 18231 2096 1 5 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.493 -0.121 18231 2097 1 5 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.272 1.660 18231 2098 1 5 . 1 1 12 12 ILE H H 12 7.751 7.751 7.582 0.169 18231 2099 1 5 . 1 1 13 13 ASN N N 13 121.617 121.617 118.708 2.909 18231 2100 1 5 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.653 -0.126 18231 2101 1 5 . 1 1 13 13 ASN C C 13 174.457 174.457 177.829 -3.372 18231 2102 1 5 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.357 -0.297 18231 2103 1 5 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.308 -0.651 18231 2104 1 5 . 1 1 13 13 ASN H H 13 9.012 9.012 8.372 0.640 18231 2105 1 5 . 1 1 14 14 VAL N N 14 120.538 120.538 120.079 0.459 18231 2106 1 5 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.789 0.026 18231 2107 1 5 . 1 1 14 14 VAL C C 14 176.194 176.194 177.937 -1.743 18231 2108 1 5 . 1 1 14 14 VAL CA C 14 66.080 66.080 67.442 -1.361 18231 2109 1 5 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.901 -0.331 18231 2110 1 5 . 1 1 14 14 VAL H H 14 8.951 8.951 8.300 0.651 18231 2111 1 5 . 1 1 15 15 PHE N N 15 117.397 117.397 120.763 -3.366 18231 2112 1 5 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.050 -0.581 18231 2113 1 5 . 1 1 15 15 PHE C C 15 176.028 176.028 177.171 -1.143 18231 2114 1 5 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.174 -0.011 18231 2115 1 5 . 1 1 15 15 PHE CB C 15 38.935 38.935 38.987 -0.052 18231 2116 1 5 . 1 1 15 15 PHE H H 15 6.953 6.953 8.428 -1.475 18231 2117 1 5 . 1 1 16 16 HIS N N 16 115.032 115.032 118.565 -3.533 18231 2118 1 5 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.273 0.563 18231 2119 1 5 . 1 1 16 16 HIS C C 16 176.028 176.028 177.837 -1.809 18231 2120 1 5 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.540 -1.523 18231 2121 1 5 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.390 -1.109 18231 2122 1 5 . 1 1 16 16 HIS H H 16 7.736 7.736 8.311 -0.575 18231 2123 1 5 . 1 1 17 17 ALA N N 17 123.252 123.252 121.920 1.332 18231 2124 1 5 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.946 0.102 18231 2125 1 5 . 1 1 17 17 ALA C C 17 174.507 174.507 179.724 -5.217 18231 2126 1 5 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.998 -1.303 18231 2127 1 5 . 1 1 17 17 ALA CB C 17 17.354 17.354 18.050 -0.696 18231 2128 1 5 . 1 1 17 17 ALA H H 17 8.070 8.070 8.319 -0.249 18231 2129 1 5 . 1 1 18 18 HIS N N 18 113.812 113.812 116.783 -2.971 18231 2130 1 5 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.253 0.137 18231 2131 1 5 . 1 1 18 18 HIS C C 18 177.747 177.747 178.591 -0.844 18231 2132 1 5 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.241 -2.306 18231 2133 1 5 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.796 2.344 18231 2134 1 5 . 1 1 18 18 HIS H H 18 7.043 7.043 8.361 -1.318 18231 2135 1 5 . 1 1 19 19 SER N N 19 113.634 113.634 115.477 -1.843 18231 2136 1 5 . 1 1 19 19 SER HA H 19 3.673 3.673 4.331 -0.658 18231 2137 1 5 . 1 1 19 19 SER C C 19 176.511 176.511 177.188 -0.677 18231 2138 1 5 . 1 1 19 19 SER CA C 19 60.926 60.926 60.534 0.392 18231 2139 1 5 . 1 1 19 19 SER CB C 19 60.919 60.919 62.495 -1.575 18231 2140 1 5 . 1 1 19 19 SER H H 19 8.489 8.489 8.346 0.143 18231 2141 1 5 . 1 1 20 20 GLY N N 20 111.572 111.572 109.888 1.684 18231 2142 1 5 . 1 1 20 20 GLY C C 20 179.798 179.798 175.613 4.185 18231 2143 1 5 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.380 -1.288 18231 2144 1 5 . 1 1 20 20 GLY H H 20 7.734 7.734 8.275 -0.541 18231 2145 1 5 . 1 1 21 21 LYS N N 21 122.204 122.204 121.024 1.180 18231 2146 1 5 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.004 -0.080 18231 2147 1 5 . 1 1 21 21 LYS C C 21 176.162 176.162 177.546 -1.384 18231 2148 1 5 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.806 0.290 18231 2149 1 5 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.559 -0.659 18231 2150 1 5 . 1 1 21 21 LYS H H 21 7.196 7.196 7.768 -0.572 18231 2151 1 5 . 1 1 22 22 GLU N N 22 115.840 115.840 118.436 -2.596 18231 2152 1 5 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.529 0.138 18231 2153 1 5 . 1 1 22 22 GLU C C 22 176.511 176.511 176.053 0.458 18231 2154 1 5 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.059 -1.278 18231 2155 1 5 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.307 3.334 18231 2156 1 5 . 1 1 22 22 GLU H H 22 9.363 9.363 7.715 1.648 18231 2157 1 5 . 1 1 23 23 GLY N N 23 111.558 111.558 110.546 1.012 18231 2158 1 5 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.599 -0.098 18231 2159 1 5 . 1 1 23 23 GLY H H 23 7.710 7.710 8.097 -0.387 18231 2160 1 5 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.424 -0.016 18231 2161 1 5 . 1 1 24 24 ASP C C 24 173.495 173.495 177.170 -3.675 18231 2162 1 5 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.888 -0.171 18231 2163 1 5 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.556 2.505 18231 2164 1 5 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.969 0.318 18231 2165 1 5 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.559 -2.030 18231 2166 1 5 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.480 -1.571 18231 2167 1 5 . 1 1 26 26 TYR N N 26 119.467 119.467 115.445 4.022 18231 2168 1 5 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.517 0.194 18231 2169 1 5 . 1 1 26 26 TYR C C 26 179.682 179.682 176.125 3.557 18231 2170 1 5 . 1 1 26 26 TYR CA C 26 55.824 55.824 60.186 -4.362 18231 2171 1 5 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.377 -0.706 18231 2172 1 5 . 1 1 26 26 TYR H H 26 9.377 9.377 8.523 0.854 18231 2173 1 5 . 1 1 27 27 LYS N N 27 114.770 114.770 118.469 -3.699 18231 2174 1 5 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.664 0.458 18231 2175 1 5 . 1 1 27 27 LYS C C 27 178.721 178.721 175.244 3.477 18231 2176 1 5 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.776 -0.049 18231 2177 1 5 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.252 3.237 18231 2178 1 5 . 1 1 27 27 LYS H H 27 7.100 7.100 7.773 -0.673 18231 2179 1 5 . 1 1 28 28 LEU N N 28 125.858 125.858 127.070 -1.212 18231 2180 1 5 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.986 0.197 18231 2181 1 5 . 1 1 28 28 LEU C C 28 177.490 177.490 175.811 1.679 18231 2182 1 5 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.686 -1.353 18231 2183 1 5 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.840 -2.255 18231 2184 1 5 . 1 1 28 28 LEU H H 28 9.750 9.750 8.413 1.337 18231 2185 1 5 . 1 1 29 29 SER N N 29 120.926 120.926 120.750 0.176 18231 2186 1 5 . 1 1 29 29 SER HA H 29 4.560 4.560 4.787 -0.227 18231 2187 1 5 . 1 1 29 29 SER C C 29 178.943 178.943 175.082 3.861 18231 2188 1 5 . 1 1 29 29 SER CA C 29 55.907 55.907 57.091 -1.184 18231 2189 1 5 . 1 1 29 29 SER CB C 29 65.035 65.035 65.407 -0.372 18231 2190 1 5 . 1 1 29 29 SER H H 29 9.907 9.907 8.399 1.508 18231 2191 1 5 . 1 1 30 30 LYS N N 30 120.263 120.263 124.951 -4.688 18231 2192 1 5 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.898 -0.047 18231 2193 1 5 . 1 1 30 30 LYS C C 30 175.519 175.519 178.109 -2.590 18231 2194 1 5 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.215 0.445 18231 2195 1 5 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.210 -0.472 18231 2196 1 5 . 1 1 30 30 LYS H H 30 8.838 8.838 8.939 -0.101 18231 2197 1 5 . 1 1 31 31 LYS N N 31 118.292 118.292 117.630 0.662 18231 2198 1 5 . 1 1 31 31 LYS HA H 31 3.922 3.922 3.998 -0.076 18231 2199 1 5 . 1 1 31 31 LYS C C 31 174.664 174.664 179.053 -4.389 18231 2200 1 5 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.775 -0.477 18231 2201 1 5 . 1 1 31 31 LYS CB C 31 32.665 32.665 31.861 0.804 18231 2202 1 5 . 1 1 31 31 LYS H H 31 7.903 7.903 8.643 -0.740 18231 2203 1 5 . 1 1 32 32 GLU N N 32 119.243 119.243 118.761 0.482 18231 2204 1 5 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.008 -0.101 18231 2205 1 5 . 1 1 32 32 GLU C C 32 174.836 174.836 178.915 -4.079 18231 2206 1 5 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.223 -0.907 18231 2207 1 5 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.508 1.369 18231 2208 1 5 . 1 1 32 32 GLU H H 32 7.499 7.499 7.404 0.095 18231 2209 1 5 . 1 1 33 33 LEU N N 33 119.432 119.432 119.543 -0.111 18231 2210 1 5 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.090 -0.172 18231 2211 1 5 . 1 1 33 33 LEU C C 33 175.740 175.740 177.989 -2.249 18231 2212 1 5 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.406 -0.137 18231 2213 1 5 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.161 -0.180 18231 2214 1 5 . 1 1 33 33 LEU H H 33 9.062 9.062 8.315 0.747 18231 2215 1 5 . 1 1 34 34 LYS N N 34 119.090 119.090 120.636 -1.546 18231 2216 1 5 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.843 -0.189 18231 2217 1 5 . 1 1 34 34 LYS C C 34 175.916 175.916 178.493 -2.577 18231 2218 1 5 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.111 0.173 18231 2219 1 5 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.174 -0.774 18231 2220 1 5 . 1 1 34 34 LYS H H 34 8.236 8.236 8.568 -0.332 18231 2221 1 5 . 1 1 35 35 GLU N N 35 117.482 117.482 118.612 -1.130 18231 2222 1 5 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.049 -0.052 18231 2223 1 5 . 1 1 35 35 GLU C C 35 174.549 174.549 178.802 -4.253 18231 2224 1 5 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.074 0.155 18231 2225 1 5 . 1 1 35 35 GLU CB C 35 28.833 28.833 28.969 -0.136 18231 2226 1 5 . 1 1 35 35 GLU H H 35 7.734 7.734 7.653 0.081 18231 2227 1 5 . 1 1 36 36 LEU N N 36 124.601 124.601 120.035 4.566 18231 2228 1 5 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.816 -1.128 18231 2229 1 5 . 1 1 36 36 LEU C C 36 174.780 174.780 179.008 -4.228 18231 2230 1 5 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.707 1.620 18231 2231 1 5 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.824 0.811 18231 2232 1 5 . 1 1 36 36 LEU H H 36 8.308 8.308 7.154 1.154 18231 2233 1 5 . 1 1 37 37 LEU N N 37 118.901 118.901 118.614 0.287 18231 2234 1 5 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.882 -0.149 18231 2235 1 5 . 1 1 37 37 LEU C C 37 174.771 174.771 179.107 -4.336 18231 2236 1 5 . 1 1 37 37 LEU CA C 37 57.913 57.913 58.047 -0.134 18231 2237 1 5 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.186 0.100 18231 2238 1 5 . 1 1 37 37 LEU H H 37 8.663 8.663 8.297 0.366 18231 2239 1 5 . 1 1 38 38 GLN N N 38 114.582 114.582 118.321 -3.739 18231 2240 1 5 . 1 1 38 38 GLN HA H 38 3.957 3.957 3.995 -0.038 18231 2241 1 5 . 1 1 38 38 GLN C C 38 175.747 175.747 177.664 -1.917 18231 2242 1 5 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.902 -0.731 18231 2243 1 5 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.905 -0.276 18231 2244 1 5 . 1 1 38 38 GLN H H 38 8.507 8.507 8.140 0.367 18231 2245 1 5 . 1 1 39 39 THR N N 39 110.227 110.227 113.220 -2.993 18231 2246 1 5 . 1 1 39 39 THR HA H 39 4.252 4.252 3.732 0.520 18231 2247 1 5 . 1 1 39 39 THR C C 39 176.966 176.966 175.860 1.106 18231 2248 1 5 . 1 1 39 39 THR CA C 39 64.485 64.485 65.637 -1.152 18231 2249 1 5 . 1 1 39 39 THR CB C 39 69.254 69.254 68.918 0.336 18231 2250 1 5 . 1 1 39 39 THR H H 39 7.845 7.845 7.936 -0.091 18231 2251 1 5 . 1 1 40 40 GLU N N 40 117.400 117.400 120.505 -3.105 18231 2252 1 5 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.171 -0.021 18231 2253 1 5 . 1 1 40 40 GLU C C 40 177.343 177.343 176.936 0.407 18231 2254 1 5 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.231 -1.662 18231 2255 1 5 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.107 -0.526 18231 2256 1 5 . 1 1 40 40 GLU H H 40 8.460 8.460 8.003 0.457 18231 2257 1 5 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.532 0.495 18231 2258 1 5 . 1 1 41 41 LEU C C 41 176.458 176.458 178.068 -1.610 18231 2259 1 5 . 1 1 41 41 LEU CA C 41 52.435 52.435 54.115 -1.680 18231 2260 1 5 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.683 0.624 18231 2261 1 5 . 1 1 42 42 SER N N 42 116.528 116.528 120.772 -4.244 18231 2262 1 5 . 1 1 42 42 SER HA H 42 4.062 4.062 4.445 -0.383 18231 2263 1 5 . 1 1 42 42 SER CA C 42 61.213 61.213 61.840 -0.627 18231 2264 1 5 . 1 1 42 42 SER CB C 42 62.378 62.378 62.982 -0.604 18231 2265 1 5 . 1 1 42 42 SER H H 42 8.246 8.246 9.030 -0.784 18231 2266 1 5 . 1 1 43 43 GLY N N 43 111.367 111.367 109.536 1.831 18231 2267 1 5 . 1 1 43 43 GLY C C 43 177.750 177.750 175.825 1.925 18231 2268 1 5 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.541 -0.803 18231 2269 1 5 . 1 1 43 43 GLY H H 43 8.850 8.850 8.677 0.173 18231 2270 1 5 . 1 1 44 44 PHE N N 44 122.213 122.213 121.526 0.687 18231 2271 1 5 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.127 0.236 18231 2272 1 5 . 1 1 44 44 PHE C C 44 176.428 176.428 177.334 -0.906 18231 2273 1 5 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.513 0.000 18231 2274 1 5 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.206 1.126 18231 2275 1 5 . 1 1 44 44 PHE H H 44 7.936 7.936 8.083 -0.147 18231 2276 1 5 . 1 1 45 45 LEU N N 45 119.395 119.395 120.708 -1.313 18231 2277 1 5 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.362 0.669 18231 2278 1 5 . 1 1 45 45 LEU C C 45 177.212 177.212 178.523 -1.311 18231 2279 1 5 . 1 1 45 45 LEU CA C 45 57.368 57.368 56.931 0.437 18231 2280 1 5 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.821 -0.780 18231 2281 1 5 . 1 1 45 45 LEU H H 45 8.133 8.133 6.787 1.346 18231 2282 1 5 . 1 1 46 46 ASP N N 46 117.384 117.384 115.927 1.457 18231 2283 1 5 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.597 -0.215 18231 2284 1 5 . 1 1 46 46 ASP C C 46 176.684 176.684 177.020 -0.336 18231 2285 1 5 . 1 1 46 46 ASP CA C 46 55.312 55.312 54.450 0.862 18231 2286 1 5 . 1 1 46 46 ASP CB C 46 40.540 40.540 40.534 0.006 18231 2287 1 5 . 1 1 46 46 ASP H H 46 8.139 8.139 8.214 -0.075 18231 2288 1 5 . 1 1 47 47 ALA N N 47 121.052 121.052 122.533 -1.481 18231 2289 1 5 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.071 0.093 18231 2290 1 5 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.574 -2.029 18231 2291 1 5 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.570 -0.221 18231 2292 1 5 . 1 1 47 47 ALA H H 47 7.637 7.637 7.702 -0.065 18231 2293 1 5 . 1 1 48 48 GLN N N 48 116.271 116.271 117.884 -1.613 18231 2294 1 5 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.013 0.127 18231 2295 1 5 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.731 -3.752 18231 2296 1 5 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.413 -0.342 18231 2297 1 5 . 1 1 48 48 GLN H H 48 7.661 7.661 8.305 -0.644 18231 2298 1 5 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.086 0.043 18231 2299 1 5 . 1 1 49 49 LYS C C 49 177.345 177.345 178.246 -0.901 18231 2300 1 5 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.842 -2.595 18231 2301 1 5 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.413 -0.633 18231 2302 1 5 . 1 1 50 50 ASP N N 50 118.526 118.526 118.501 0.025 18231 2303 1 5 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.798 -0.141 18231 2304 1 5 . 1 1 50 50 ASP C C 50 177.422 177.422 177.539 -0.117 18231 2305 1 5 . 1 1 50 50 ASP CA C 50 53.834 53.834 54.083 -0.249 18231 2306 1 5 . 1 1 50 50 ASP CB C 50 41.689 41.689 40.722 0.967 18231 2307 1 5 . 1 1 50 50 ASP H H 50 7.975 7.975 7.671 0.304 18231 2308 1 5 . 1 1 51 51 VAL N N 51 120.868 120.868 121.605 -0.737 18231 2309 1 5 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.729 0.251 18231 2310 1 5 . 1 1 51 51 VAL C C 51 177.212 177.212 177.022 0.190 18231 2311 1 5 . 1 1 51 51 VAL CA C 51 63.349 63.349 66.100 -2.751 18231 2312 1 5 . 1 1 51 51 VAL CB C 51 31.736 31.736 31.800 -0.064 18231 2313 1 5 . 1 1 51 51 VAL H H 51 8.225 8.225 7.439 0.786 18231 2314 1 5 . 1 1 52 52 ASP N N 52 121.054 121.054 119.873 1.181 18231 2315 1 5 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.337 0.441 18231 2316 1 5 . 1 1 52 52 ASP C C 52 176.912 176.912 178.083 -1.171 18231 2317 1 5 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.298 -3.909 18231 2318 1 5 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.919 0.153 18231 2319 1 5 . 1 1 52 52 ASP H H 52 8.403 8.403 8.635 -0.232 18231 2320 1 5 . 1 1 53 53 ALA N N 53 123.449 123.449 122.175 1.274 18231 2321 1 5 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.083 -0.146 18231 2322 1 5 . 1 1 53 53 ALA C C 53 174.124 174.124 179.390 -5.266 18231 2323 1 5 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.772 0.191 18231 2324 1 5 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.283 0.590 18231 2325 1 5 . 1 1 53 53 ALA H H 53 7.757 7.757 7.896 -0.139 18231 2326 1 5 . 1 1 54 54 VAL N N 54 116.105 116.105 118.932 -2.827 18231 2327 1 5 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.519 -0.061 18231 2328 1 5 . 1 1 54 54 VAL C C 54 176.953 176.953 177.661 -0.708 18231 2329 1 5 . 1 1 54 54 VAL CA C 54 65.895 65.895 67.520 -1.625 18231 2330 1 5 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.496 -0.916 18231 2331 1 5 . 1 1 54 54 VAL H H 54 8.281 8.281 7.959 0.322 18231 2332 1 5 . 1 1 55 55 ASP N N 55 120.466 120.466 119.892 0.574 18231 2333 1 5 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.365 -0.200 18231 2334 1 5 . 1 1 55 55 ASP C C 55 174.997 174.997 178.725 -3.728 18231 2335 1 5 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.332 -0.132 18231 2336 1 5 . 1 1 55 55 ASP CB C 55 40.520 40.520 39.979 0.541 18231 2337 1 5 . 1 1 55 55 ASP H H 55 7.667 7.667 8.156 -0.489 18231 2338 1 5 . 1 1 56 56 LYS N N 56 119.065 119.065 119.825 -0.760 18231 2339 1 5 . 1 1 56 56 LYS HA H 56 3.979 3.979 3.996 -0.017 18231 2340 1 5 . 1 1 56 56 LYS C C 56 174.602 174.602 178.965 -4.363 18231 2341 1 5 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.471 -0.926 18231 2342 1 5 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.422 -0.822 18231 2343 1 5 . 1 1 56 56 LYS H H 56 7.628 7.628 7.235 0.393 18231 2344 1 5 . 1 1 57 57 VAL N N 57 119.756 119.756 120.461 -0.705 18231 2345 1 5 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.715 0.012 18231 2346 1 5 . 1 1 57 57 VAL C C 57 175.782 175.782 178.086 -2.304 18231 2347 1 5 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.690 -1.091 18231 2348 1 5 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.531 -0.284 18231 2349 1 5 . 1 1 57 57 VAL H H 57 7.920 7.920 8.235 -0.315 18231 2350 1 5 . 1 1 58 58 MET N N 58 118.541 118.541 119.717 -1.176 18231 2351 1 5 . 1 1 58 58 MET HA H 58 3.936 3.936 4.053 -0.117 18231 2352 1 5 . 1 1 58 58 MET C C 58 176.330 176.330 177.753 -1.423 18231 2353 1 5 . 1 1 58 58 MET CA C 58 58.620 58.620 58.747 -0.127 18231 2354 1 5 . 1 1 58 58 MET CB C 58 32.002 32.002 32.082 -0.080 18231 2355 1 5 . 1 1 58 58 MET H H 58 8.426 8.426 8.649 -0.223 18231 2356 1 5 . 1 1 59 59 LYS N N 59 116.084 116.084 119.349 -3.265 18231 2357 1 5 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.924 0.012 18231 2358 1 5 . 1 1 59 59 LYS C C 59 176.918 176.918 178.596 -1.678 18231 2359 1 5 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.783 -1.109 18231 2360 1 5 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.258 0.345 18231 2361 1 5 . 1 1 59 59 LYS H H 59 7.623 7.623 7.943 -0.320 18231 2362 1 5 . 1 1 60 60 GLU N N 60 117.227 117.227 117.821 -0.594 18231 2363 1 5 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.157 -0.102 18231 2364 1 5 . 1 1 60 60 GLU C C 60 175.146 175.146 178.499 -3.353 18231 2365 1 5 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.389 -0.358 18231 2366 1 5 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.589 -0.274 18231 2367 1 5 . 1 1 60 60 GLU H H 60 7.592 7.592 7.582 0.010 18231 2368 1 5 . 1 1 61 61 LEU N N 61 116.051 116.051 118.559 -2.508 18231 2369 1 5 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.144 0.219 18231 2370 1 5 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.700 -1.841 18231 2371 1 5 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.598 0.979 18231 2372 1 5 . 1 1 61 61 LEU H H 61 8.045 8.045 7.593 0.452 18231 2373 1 5 . 1 1 62 62 ASP N N 62 116.891 116.891 116.867 0.024 18231 2374 1 5 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.964 -0.264 18231 2375 1 5 . 1 1 62 62 ASP C C 62 176.806 176.806 176.506 0.300 18231 2376 1 5 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.726 -0.610 18231 2377 1 5 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.425 -1.774 18231 2378 1 5 . 1 1 62 62 ASP H H 62 8.008 8.008 7.857 0.151 18231 2379 1 5 . 1 1 63 63 GLU N N 63 129.185 129.185 126.875 2.310 18231 2380 1 5 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.063 -0.009 18231 2381 1 5 . 1 1 63 63 GLU C C 63 175.826 175.826 177.450 -1.624 18231 2382 1 5 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.644 -0.326 18231 2383 1 5 . 1 1 63 63 GLU CB C 63 30.218 30.218 30.092 0.126 18231 2384 1 5 . 1 1 63 63 GLU H H 63 8.347 8.347 8.773 -0.426 18231 2385 1 5 . 1 1 64 64 ASN N N 64 112.618 112.618 114.826 -2.208 18231 2386 1 5 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.716 0.032 18231 2387 1 5 . 1 1 64 64 ASN C C 64 176.855 176.855 175.807 1.048 18231 2388 1 5 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.356 -0.730 18231 2389 1 5 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.277 -1.404 18231 2390 1 5 . 1 1 64 64 ASN H H 64 7.978 7.978 7.918 0.060 18231 2391 1 5 . 1 1 65 65 GLY N N 65 109.111 109.111 108.389 0.722 18231 2392 1 5 . 1 1 65 65 GLY C C 65 178.426 178.426 175.404 3.022 18231 2393 1 5 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.379 0.660 18231 2394 1 5 . 1 1 65 65 GLY H H 65 7.543 7.543 7.765 -0.222 18231 2395 1 5 . 1 1 66 66 ASP N N 66 119.205 119.205 121.061 -1.856 18231 2396 1 5 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.376 0.165 18231 2397 1 5 . 1 1 66 66 ASP C C 66 176.015 176.015 178.109 -2.094 18231 2398 1 5 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.336 -1.497 18231 2399 1 5 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.137 -1.261 18231 2400 1 5 . 1 1 66 66 ASP H H 66 8.113 8.113 8.384 -0.271 18231 2401 1 5 . 1 1 67 67 GLY N N 67 113.254 113.254 108.640 4.614 18231 2402 1 5 . 1 1 67 67 GLY C C 67 180.780 180.780 173.525 7.255 18231 2403 1 5 . 1 1 67 67 GLY CA C 67 45.213 45.213 45.000 0.213 18231 2404 1 5 . 1 1 67 67 GLY H H 67 10.267 10.267 9.164 1.103 18231 2405 1 5 . 1 1 68 68 GLU N N 68 116.975 116.975 119.257 -2.282 18231 2406 1 5 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.682 0.128 18231 2407 1 5 . 1 1 68 68 GLU C C 68 178.130 178.130 174.644 3.486 18231 2408 1 5 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.568 -0.438 18231 2409 1 5 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.583 2.170 18231 2410 1 5 . 1 1 68 68 GLU H H 68 7.714 7.714 8.767 -1.053 18231 2411 1 5 . 1 1 69 69 VAL N N 69 125.146 125.146 121.056 4.090 18231 2412 1 5 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.510 0.739 18231 2413 1 5 . 1 1 69 69 VAL C C 69 177.413 177.413 174.613 2.800 18231 2414 1 5 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.191 -0.489 18231 2415 1 5 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.580 -0.092 18231 2416 1 5 . 1 1 69 69 VAL H H 69 9.389 9.389 7.868 1.521 18231 2417 1 5 . 1 1 70 70 ASP N N 70 129.202 129.202 125.361 3.841 18231 2418 1 5 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.002 0.167 18231 2419 1 5 . 1 1 70 70 ASP C C 70 178.332 178.332 176.862 1.470 18231 2420 1 5 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.577 0.568 18231 2421 1 5 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.179 -3.082 18231 2422 1 5 . 1 1 70 70 ASP H H 70 9.109 9.109 8.317 0.792 18231 2423 1 5 . 1 1 71 71 PHE N N 71 118.298 118.298 125.043 -6.745 18231 2424 1 5 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.958 -1.031 18231 2425 1 5 . 1 1 71 71 PHE C C 71 176.763 176.763 176.847 -0.084 18231 2426 1 5 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.918 1.133 18231 2427 1 5 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.895 0.093 18231 2428 1 5 . 1 1 71 71 PHE H H 71 8.938 8.938 8.710 0.228 18231 2429 1 5 . 1 1 72 72 GLN N N 72 116.762 116.762 117.610 -0.848 18231 2430 1 5 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.762 -0.068 18231 2431 1 5 . 1 1 72 72 GLN C C 72 175.208 175.208 178.133 -2.925 18231 2432 1 5 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.348 -0.129 18231 2433 1 5 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.248 -0.442 18231 2434 1 5 . 1 1 72 72 GLN H H 72 7.997 7.997 8.602 -0.605 18231 2435 1 5 . 1 1 73 73 GLU N N 73 120.146 120.146 120.200 -0.054 18231 2436 1 5 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.972 0.124 18231 2437 1 5 . 1 1 73 73 GLU C C 73 174.746 174.746 178.721 -3.975 18231 2438 1 5 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.309 -1.205 18231 2439 1 5 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.641 0.205 18231 2440 1 5 . 1 1 73 73 GLU H H 73 8.289 8.289 7.718 0.571 18231 2441 1 5 . 1 1 74 74 TYR N N 74 121.506 121.506 121.318 0.188 18231 2442 1 5 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.116 -0.003 18231 2443 1 5 . 1 1 74 74 TYR C C 74 176.925 176.925 177.664 -0.739 18231 2444 1 5 . 1 1 74 74 TYR CA C 74 59.101 59.101 60.852 -1.752 18231 2445 1 5 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.555 -1.183 18231 2446 1 5 . 1 1 74 74 TYR H H 74 8.324 8.324 8.319 0.005 18231 2447 1 5 . 1 1 75 75 VAL N N 75 120.725 120.725 115.992 4.733 18231 2448 1 5 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.185 -0.312 18231 2449 1 5 . 1 1 75 75 VAL C C 75 176.738 176.738 177.637 -0.899 18231 2450 1 5 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.189 -0.309 18231 2451 1 5 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.474 0.527 18231 2452 1 5 . 1 1 75 75 VAL H H 75 8.074 8.074 8.210 -0.136 18231 2453 1 5 . 1 1 76 76 VAL N N 76 120.118 120.118 121.230 -1.112 18231 2454 1 5 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.576 -0.156 18231 2455 1 5 . 1 1 76 76 VAL C C 76 174.620 174.620 178.377 -3.757 18231 2456 1 5 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.374 0.035 18231 2457 1 5 . 1 1 76 76 VAL CB C 76 30.776 30.776 30.813 -0.037 18231 2458 1 5 . 1 1 76 76 VAL H H 76 7.119 7.119 7.250 -0.131 18231 2459 1 5 . 1 1 77 77 LEU N N 77 120.709 120.709 120.943 -0.234 18231 2460 1 5 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.059 -0.029 18231 2461 1 5 . 1 1 77 77 LEU C C 77 175.943 175.943 178.752 -2.809 18231 2462 1 5 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.185 -1.245 18231 2463 1 5 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.953 -0.845 18231 2464 1 5 . 1 1 77 77 LEU H H 77 6.865 6.865 8.003 -1.138 18231 2465 1 5 . 1 1 78 78 VAL N N 78 116.930 116.930 115.273 1.657 18231 2466 1 5 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.518 -0.378 18231 2467 1 5 . 1 1 78 78 VAL C C 78 174.150 174.150 177.269 -3.119 18231 2468 1 5 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.792 0.586 18231 2469 1 5 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.939 -0.710 18231 2470 1 5 . 1 1 78 78 VAL H H 78 7.539 7.539 8.072 -0.533 18231 2471 1 5 . 1 1 79 79 ALA N N 79 124.551 124.551 122.455 2.096 18231 2472 1 5 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.897 -0.205 18231 2473 1 5 . 1 1 79 79 ALA C C 79 175.111 175.111 179.167 -4.056 18231 2474 1 5 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.151 0.341 18231 2475 1 5 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.934 -0.471 18231 2476 1 5 . 1 1 79 79 ALA H H 79 8.918 8.918 8.204 0.714 18231 2477 1 5 . 1 1 80 80 ALA N N 80 120.223 120.223 121.058 -0.835 18231 2478 1 5 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.139 -0.074 18231 2479 1 5 . 1 1 80 80 ALA C C 80 171.473 171.473 179.348 -7.875 18231 2480 1 5 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.573 0.353 18231 2481 1 5 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.436 -1.010 18231 2482 1 5 . 1 1 80 80 ALA H H 80 7.760 7.760 7.626 0.134 18231 2483 1 5 . 1 1 81 81 LEU N N 81 119.090 119.090 119.738 -0.648 18231 2484 1 5 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.049 0.039 18231 2485 1 5 . 1 1 81 81 LEU C C 81 174.008 174.008 178.650 -4.642 18231 2486 1 5 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.828 -0.171 18231 2487 1 5 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.755 0.475 18231 2488 1 5 . 1 1 81 81 LEU H H 81 8.542 8.542 8.210 0.332 18231 2489 1 5 . 1 1 82 82 THR N N 82 119.585 119.585 113.984 5.601 18231 2490 1 5 . 1 1 82 82 THR HA H 82 4.332 4.332 3.990 0.342 18231 2491 1 5 . 1 1 82 82 THR C C 82 176.758 176.758 176.748 0.010 18231 2492 1 5 . 1 1 82 82 THR CA C 82 67.286 67.286 66.216 1.070 18231 2493 1 5 . 1 1 82 82 THR CB C 82 68.127 68.127 68.659 -0.532 18231 2494 1 5 . 1 1 82 82 THR H H 82 8.421 8.421 8.038 0.383 18231 2495 1 5 . 1 1 83 83 VAL N N 83 121.934 121.934 121.321 0.613 18231 2496 1 5 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.668 0.047 18231 2497 1 5 . 1 1 83 83 VAL C C 83 175.556 175.556 177.625 -2.069 18231 2498 1 5 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.196 0.707 18231 2499 1 5 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.722 -0.176 18231 2500 1 5 . 1 1 83 83 VAL H H 83 8.077 8.077 7.398 0.679 18231 2501 1 5 . 1 1 84 84 ALA N N 84 121.367 121.367 122.785 -1.418 18231 2502 1 5 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.441 -0.240 18231 2503 1 5 . 1 1 84 84 ALA C C 84 173.936 173.936 179.787 -5.851 18231 2504 1 5 . 1 1 84 84 ALA CA C 84 55.280 55.280 54.849 0.431 18231 2505 1 5 . 1 1 84 84 ALA CB C 84 17.607 17.607 18.211 -0.604 18231 2506 1 5 . 1 1 84 84 ALA H H 84 7.835 7.835 8.296 -0.461 18231 2507 1 5 . 1 1 85 85 CYS N N 85 116.731 116.731 116.573 0.158 18231 2508 1 5 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.294 -0.057 18231 2509 1 5 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.635 -7.984 18231 2510 1 5 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.533 12.437 18231 2511 1 5 . 1 1 85 85 CYS H H 85 8.244 8.244 8.184 0.060 18231 2512 1 5 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.455 -0.072 18231 2513 1 5 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.392 -1.413 18231 2514 1 5 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.536 1.954 18231 2515 1 5 . 1 1 87 87 ASN N N 87 120.372 120.372 119.242 1.130 18231 2516 1 5 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.626 -0.229 18231 2517 1 5 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.489 -1.520 18231 2518 1 5 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.428 -1.040 18231 2519 1 5 . 1 1 87 87 ASN H H 87 7.539 7.539 7.708 -0.169 18231 2520 1 5 . 1 1 88 88 PHE N N 88 118.684 118.684 119.632 -0.948 18231 2521 1 5 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.393 -0.021 18231 2522 1 5 . 1 1 88 88 PHE C C 88 177.050 177.050 177.355 -0.305 18231 2523 1 5 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.490 -2.117 18231 2524 1 5 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.539 0.480 18231 2525 1 5 . 1 1 88 88 PHE H H 88 7.862 7.862 8.357 -0.495 18231 2526 1 5 . 1 1 89 89 PHE N N 89 118.515 118.515 120.409 -1.894 18231 2527 1 5 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.131 0.157 18231 2528 1 5 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.841 -2.583 18231 2529 1 5 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.721 0.510 18231 2530 1 5 . 1 1 89 89 PHE H H 89 7.898 7.898 8.000 -0.102 18231 2531 1 5 . 1 1 90 90 TRP N N 90 118.964 118.964 119.031 -0.067 18231 2532 1 5 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.335 0.150 18231 2533 1 5 . 1 1 90 90 TRP C C 90 174.481 174.481 178.359 -3.878 18231 2534 1 5 . 1 1 90 90 TRP CA C 90 57.371 57.371 60.201 -2.830 18231 2535 1 5 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.314 -0.039 18231 2536 1 5 . 1 1 90 90 TRP H H 90 7.773 7.773 7.829 -0.056 18231 2537 1 5 . 1 1 91 91 GLU N N 91 120.150 120.150 117.277 2.873 18231 2538 1 5 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.143 -0.086 18231 2539 1 5 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.380 -0.403 18231 2540 1 5 . 1 1 91 91 GLU CB C 91 30.094 30.094 30.013 0.081 18231 2541 1 5 . 1 1 91 91 GLU H H 91 7.812 7.812 7.756 0.056 18231 2542 1 5 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.804 -0.136 18231 2543 1 5 . 1 1 92 92 ASN C C 92 175.577 175.577 173.977 1.600 18231 2544 1 5 . 1 1 92 92 ASN CA C 92 52.806 52.806 52.726 0.080 18231 2545 1 5 . 1 1 92 92 ASN CB C 92 38.795 38.795 39.225 -0.430 18231 2546 1 6 . 1 1 2 2 SER N N 2 118.234 118.234 116.467 1.767 18231 2547 1 6 . 1 1 2 2 SER HA H 2 4.750 4.750 4.789 -0.039 18231 2548 1 6 . 1 1 2 2 SER C C 2 178.105 178.105 175.269 2.836 18231 2549 1 6 . 1 1 2 2 SER CA C 2 57.133 57.133 57.818 -0.685 18231 2550 1 6 . 1 1 2 2 SER CB C 2 64.624 64.624 66.079 -1.456 18231 2551 1 6 . 1 1 2 2 SER H H 2 9.007 9.007 8.312 0.695 18231 2552 1 6 . 1 1 3 3 GLU N N 3 123.466 123.466 123.745 -0.279 18231 2553 1 6 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.041 0.098 18231 2554 1 6 . 1 1 3 3 GLU C C 3 173.854 173.854 178.643 -4.789 18231 2555 1 6 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.862 1.248 18231 2556 1 6 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.727 -0.827 18231 2557 1 6 . 1 1 3 3 GLU H H 3 9.436 9.436 9.009 0.427 18231 2558 1 6 . 1 1 4 4 LEU N N 4 119.878 119.878 120.233 -0.355 18231 2559 1 6 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.043 0.043 18231 2560 1 6 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.646 0.263 18231 2561 1 6 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.683 -0.278 18231 2562 1 6 . 1 1 4 4 LEU H H 4 8.891 8.891 8.062 0.829 18231 2563 1 6 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.078 -0.067 18231 2564 1 6 . 1 1 5 5 GLU C C 5 173.709 173.709 178.750 -5.041 18231 2565 1 6 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.433 0.163 18231 2566 1 6 . 1 1 5 5 GLU CB C 5 29.055 29.055 28.745 0.310 18231 2567 1 6 . 1 1 6 6 THR N N 6 116.614 116.614 116.201 0.413 18231 2568 1 6 . 1 1 6 6 THR HA H 6 4.019 4.019 4.092 -0.073 18231 2569 1 6 . 1 1 6 6 THR C C 6 176.965 176.965 176.108 0.857 18231 2570 1 6 . 1 1 6 6 THR CA C 6 66.175 66.175 66.302 -0.127 18231 2571 1 6 . 1 1 6 6 THR CB C 6 68.280 68.280 68.216 0.064 18231 2572 1 6 . 1 1 6 6 THR H H 6 8.316 8.316 7.477 0.839 18231 2573 1 6 . 1 1 7 7 ALA N N 7 126.118 126.118 125.013 1.105 18231 2574 1 6 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.184 -0.048 18231 2575 1 6 . 1 1 7 7 ALA C C 7 173.544 173.544 179.772 -6.228 18231 2576 1 6 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.805 0.033 18231 2577 1 6 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.255 -0.804 18231 2578 1 6 . 1 1 7 7 ALA H H 7 8.167 8.167 7.530 0.637 18231 2579 1 6 . 1 1 8 8 MET N N 8 117.610 117.610 117.564 0.046 18231 2580 1 6 . 1 1 8 8 MET HA H 8 4.174 4.174 4.053 0.121 18231 2581 1 6 . 1 1 8 8 MET C C 8 175.513 175.513 178.816 -3.303 18231 2582 1 6 . 1 1 8 8 MET CA C 8 61.988 61.988 59.513 2.475 18231 2583 1 6 . 1 1 8 8 MET CB C 8 26.277 26.277 32.441 -6.164 18231 2584 1 6 . 1 1 8 8 MET H H 8 8.286 8.286 7.734 0.552 18231 2585 1 6 . 1 1 9 9 GLU N N 9 117.751 117.751 118.545 -0.794 18231 2586 1 6 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.042 -0.122 18231 2587 1 6 . 1 1 9 9 GLU C C 9 174.479 174.479 179.182 -4.703 18231 2588 1 6 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.419 -0.000 18231 2589 1 6 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.632 -0.618 18231 2590 1 6 . 1 1 9 9 GLU H H 9 8.055 8.055 7.696 0.359 18231 2591 1 6 . 1 1 10 10 THR N N 10 117.936 117.936 115.012 2.924 18231 2592 1 6 . 1 1 10 10 THR HA H 10 4.083 4.083 4.176 -0.093 18231 2593 1 6 . 1 1 10 10 THR C C 10 177.781 177.781 176.552 1.229 18231 2594 1 6 . 1 1 10 10 THR CA C 10 66.869 66.869 65.927 0.942 18231 2595 1 6 . 1 1 10 10 THR CB C 10 67.663 67.663 68.416 -0.753 18231 2596 1 6 . 1 1 10 10 THR H H 10 8.398 8.398 8.211 0.187 18231 2597 1 6 . 1 1 11 11 LEU N N 11 119.632 119.632 122.318 -2.686 18231 2598 1 6 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.344 -0.388 18231 2599 1 6 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.651 0.217 18231 2600 1 6 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.161 0.436 18231 2601 1 6 . 1 1 11 11 LEU H H 11 8.134 8.134 7.737 0.397 18231 2602 1 6 . 1 1 12 12 ILE N N 12 119.532 119.532 119.832 -0.300 18231 2603 1 6 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.080 0.888 18231 2604 1 6 . 1 1 12 12 ILE C C 12 175.378 175.378 177.900 -2.522 18231 2605 1 6 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.680 -0.308 18231 2606 1 6 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.230 1.702 18231 2607 1 6 . 1 1 12 12 ILE H H 12 7.751 7.751 7.697 0.054 18231 2608 1 6 . 1 1 13 13 ASN N N 13 121.617 121.617 119.465 2.152 18231 2609 1 6 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.385 0.142 18231 2610 1 6 . 1 1 13 13 ASN C C 13 174.457 174.457 177.925 -3.468 18231 2611 1 6 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.376 -0.316 18231 2612 1 6 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.584 -0.927 18231 2613 1 6 . 1 1 13 13 ASN H H 13 9.012 9.012 8.274 0.738 18231 2614 1 6 . 1 1 14 14 VAL N N 14 120.538 120.538 120.924 -0.386 18231 2615 1 6 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.833 -0.018 18231 2616 1 6 . 1 1 14 14 VAL C C 14 176.194 176.194 177.748 -1.554 18231 2617 1 6 . 1 1 14 14 VAL CA C 14 66.080 66.080 67.253 -1.173 18231 2618 1 6 . 1 1 14 14 VAL CB C 14 31.571 31.571 32.043 -0.472 18231 2619 1 6 . 1 1 14 14 VAL H H 14 8.951 8.951 8.485 0.466 18231 2620 1 6 . 1 1 15 15 PHE N N 15 117.397 117.397 120.801 -3.404 18231 2621 1 6 . 1 1 15 15 PHE HA H 15 3.469 3.469 3.966 -0.497 18231 2622 1 6 . 1 1 15 15 PHE C C 15 176.028 176.028 177.274 -1.246 18231 2623 1 6 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.262 -0.099 18231 2624 1 6 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.210 -0.275 18231 2625 1 6 . 1 1 15 15 PHE H H 15 6.953 6.953 8.619 -1.666 18231 2626 1 6 . 1 1 16 16 HIS N N 16 115.032 115.032 120.057 -5.025 18231 2627 1 6 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.179 0.657 18231 2628 1 6 . 1 1 16 16 HIS C C 16 176.028 176.028 177.390 -1.362 18231 2629 1 6 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.554 -1.537 18231 2630 1 6 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.832 -1.551 18231 2631 1 6 . 1 1 16 16 HIS H H 16 7.736 7.736 8.837 -1.101 18231 2632 1 6 . 1 1 17 17 ALA N N 17 123.252 123.252 121.087 2.165 18231 2633 1 6 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.832 0.216 18231 2634 1 6 . 1 1 17 17 ALA C C 17 174.507 174.507 179.734 -5.227 18231 2635 1 6 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.887 -1.192 18231 2636 1 6 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.997 -0.643 18231 2637 1 6 . 1 1 17 17 ALA H H 17 8.070 8.070 8.096 -0.026 18231 2638 1 6 . 1 1 18 18 HIS N N 18 113.812 113.812 116.769 -2.957 18231 2639 1 6 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.233 0.157 18231 2640 1 6 . 1 1 18 18 HIS C C 18 177.747 177.747 178.415 -0.668 18231 2641 1 6 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.199 -2.264 18231 2642 1 6 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.548 2.592 18231 2643 1 6 . 1 1 18 18 HIS H H 18 7.043 7.043 8.202 -1.159 18231 2644 1 6 . 1 1 19 19 SER N N 19 113.634 113.634 115.773 -2.139 18231 2645 1 6 . 1 1 19 19 SER HA H 19 3.673 3.673 3.951 -0.278 18231 2646 1 6 . 1 1 19 19 SER C C 19 176.511 176.511 176.987 -0.476 18231 2647 1 6 . 1 1 19 19 SER CA C 19 60.926 60.926 60.684 0.242 18231 2648 1 6 . 1 1 19 19 SER CB C 19 60.919 60.919 62.509 -1.590 18231 2649 1 6 . 1 1 19 19 SER H H 19 8.489 8.489 8.227 0.262 18231 2650 1 6 . 1 1 20 20 GLY N N 20 111.572 111.572 108.709 2.863 18231 2651 1 6 . 1 1 20 20 GLY C C 20 179.798 179.798 175.397 4.401 18231 2652 1 6 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.288 -1.196 18231 2653 1 6 . 1 1 20 20 GLY H H 20 7.734 7.734 8.093 -0.359 18231 2654 1 6 . 1 1 21 21 LYS N N 21 122.204 122.204 121.348 0.856 18231 2655 1 6 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.012 -0.088 18231 2656 1 6 . 1 1 21 21 LYS C C 21 176.162 176.162 176.946 -0.784 18231 2657 1 6 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.459 0.637 18231 2658 1 6 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.695 -0.795 18231 2659 1 6 . 1 1 21 21 LYS H H 21 7.196 7.196 7.610 -0.414 18231 2660 1 6 . 1 1 22 22 GLU N N 22 115.840 115.840 118.115 -2.275 18231 2661 1 6 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.451 0.216 18231 2662 1 6 . 1 1 22 22 GLU C C 22 176.511 176.511 175.705 0.806 18231 2663 1 6 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.344 -1.563 18231 2664 1 6 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.609 3.032 18231 2665 1 6 . 1 1 22 22 GLU H H 22 9.363 9.363 7.428 1.935 18231 2666 1 6 . 1 1 23 23 GLY N N 23 111.558 111.558 110.798 0.760 18231 2667 1 6 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.414 0.086 18231 2668 1 6 . 1 1 23 23 GLY H H 23 7.710 7.710 8.077 -0.367 18231 2669 1 6 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.406 0.002 18231 2670 1 6 . 1 1 24 24 ASP C C 24 173.495 173.495 177.047 -3.552 18231 2671 1 6 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.863 -0.146 18231 2672 1 6 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.569 2.491 18231 2673 1 6 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.851 0.436 18231 2674 1 6 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.463 -1.934 18231 2675 1 6 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.389 -1.480 18231 2676 1 6 . 1 1 26 26 TYR N N 26 119.467 119.467 115.210 4.257 18231 2677 1 6 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.588 0.123 18231 2678 1 6 . 1 1 26 26 TYR C C 26 179.682 179.682 175.506 4.176 18231 2679 1 6 . 1 1 26 26 TYR CA C 26 55.824 55.824 60.539 -4.715 18231 2680 1 6 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.621 -0.950 18231 2681 1 6 . 1 1 26 26 TYR H H 26 9.377 9.377 8.500 0.877 18231 2682 1 6 . 1 1 27 27 LYS N N 27 114.770 114.770 117.441 -2.671 18231 2683 1 6 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.921 0.201 18231 2684 1 6 . 1 1 27 27 LYS C C 27 178.721 178.721 175.301 3.420 18231 2685 1 6 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.654 0.073 18231 2686 1 6 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.773 2.716 18231 2687 1 6 . 1 1 27 27 LYS H H 27 7.100 7.100 7.550 -0.450 18231 2688 1 6 . 1 1 28 28 LEU N N 28 125.858 125.858 126.157 -0.299 18231 2689 1 6 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.897 0.286 18231 2690 1 6 . 1 1 28 28 LEU C C 28 177.490 177.490 176.597 0.893 18231 2691 1 6 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.565 -1.232 18231 2692 1 6 . 1 1 28 28 LEU CB C 28 42.586 42.586 43.929 -1.343 18231 2693 1 6 . 1 1 28 28 LEU H H 28 9.750 9.750 8.279 1.471 18231 2694 1 6 . 1 1 29 29 SER N N 29 120.926 120.926 118.143 2.783 18231 2695 1 6 . 1 1 29 29 SER HA H 29 4.560 4.560 4.522 0.038 18231 2696 1 6 . 1 1 29 29 SER C C 29 178.943 178.943 175.552 3.391 18231 2697 1 6 . 1 1 29 29 SER CA C 29 55.907 55.907 56.943 -1.036 18231 2698 1 6 . 1 1 29 29 SER CB C 29 65.035 65.035 65.437 -0.402 18231 2699 1 6 . 1 1 29 29 SER H H 29 9.907 9.907 7.926 1.981 18231 2700 1 6 . 1 1 30 30 LYS N N 30 120.263 120.263 123.008 -2.745 18231 2701 1 6 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.971 -0.120 18231 2702 1 6 . 1 1 30 30 LYS C C 30 175.519 175.519 178.539 -3.020 18231 2703 1 6 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.571 0.089 18231 2704 1 6 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.222 -0.484 18231 2705 1 6 . 1 1 30 30 LYS H H 30 8.838 8.838 9.020 -0.182 18231 2706 1 6 . 1 1 31 31 LYS N N 31 118.292 118.292 117.946 0.346 18231 2707 1 6 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.054 -0.132 18231 2708 1 6 . 1 1 31 31 LYS C C 31 174.664 174.664 179.390 -4.726 18231 2709 1 6 . 1 1 31 31 LYS CA C 31 59.298 59.298 58.926 0.372 18231 2710 1 6 . 1 1 31 31 LYS CB C 31 32.665 32.665 31.819 0.846 18231 2711 1 6 . 1 1 31 31 LYS H H 31 7.903 7.903 7.813 0.090 18231 2712 1 6 . 1 1 32 32 GLU N N 32 119.243 119.243 118.909 0.334 18231 2713 1 6 . 1 1 32 32 GLU HA H 32 3.907 3.907 3.994 -0.087 18231 2714 1 6 . 1 1 32 32 GLU C C 32 174.836 174.836 179.152 -4.316 18231 2715 1 6 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.063 -0.747 18231 2716 1 6 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.676 1.201 18231 2717 1 6 . 1 1 32 32 GLU H H 32 7.499 7.499 7.848 -0.349 18231 2718 1 6 . 1 1 33 33 LEU N N 33 119.432 119.432 119.747 -0.315 18231 2719 1 6 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.095 -0.177 18231 2720 1 6 . 1 1 33 33 LEU C C 33 175.740 175.740 178.024 -2.284 18231 2721 1 6 . 1 1 33 33 LEU CA C 33 57.269 57.269 58.157 -0.888 18231 2722 1 6 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.988 -1.007 18231 2723 1 6 . 1 1 33 33 LEU H H 33 9.062 9.062 8.268 0.794 18231 2724 1 6 . 1 1 34 34 LYS N N 34 119.090 119.090 120.170 -1.080 18231 2725 1 6 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.830 -0.176 18231 2726 1 6 . 1 1 34 34 LYS C C 34 175.916 175.916 178.419 -2.503 18231 2727 1 6 . 1 1 34 34 LYS CA C 34 60.284 60.284 59.943 0.341 18231 2728 1 6 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.007 -0.607 18231 2729 1 6 . 1 1 34 34 LYS H H 34 8.236 8.236 8.240 -0.004 18231 2730 1 6 . 1 1 35 35 GLU N N 35 117.482 117.482 119.010 -1.528 18231 2731 1 6 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.012 -0.015 18231 2732 1 6 . 1 1 35 35 GLU C C 35 174.549 174.549 178.472 -3.923 18231 2733 1 6 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.357 -0.128 18231 2734 1 6 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.434 -0.601 18231 2735 1 6 . 1 1 35 35 GLU H H 35 7.734 7.734 7.593 0.141 18231 2736 1 6 . 1 1 36 36 LEU N N 36 124.601 124.601 119.658 4.943 18231 2737 1 6 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.873 -1.185 18231 2738 1 6 . 1 1 36 36 LEU C C 36 174.780 174.780 179.126 -4.346 18231 2739 1 6 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.716 1.611 18231 2740 1 6 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.261 0.374 18231 2741 1 6 . 1 1 36 36 LEU H H 36 8.308 8.308 7.968 0.340 18231 2742 1 6 . 1 1 37 37 LEU N N 37 118.901 118.901 118.894 0.007 18231 2743 1 6 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.986 -0.253 18231 2744 1 6 . 1 1 37 37 LEU C C 37 174.771 174.771 179.466 -4.695 18231 2745 1 6 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.884 0.029 18231 2746 1 6 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.225 0.061 18231 2747 1 6 . 1 1 37 37 LEU H H 37 8.663 8.663 8.320 0.343 18231 2748 1 6 . 1 1 38 38 GLN N N 38 114.582 114.582 118.795 -4.213 18231 2749 1 6 . 1 1 38 38 GLN HA H 38 3.957 3.957 3.989 -0.032 18231 2750 1 6 . 1 1 38 38 GLN C C 38 175.747 175.747 177.796 -2.049 18231 2751 1 6 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.879 -0.708 18231 2752 1 6 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.828 -0.199 18231 2753 1 6 . 1 1 38 38 GLN H H 38 8.507 8.507 8.230 0.277 18231 2754 1 6 . 1 1 39 39 THR N N 39 110.227 110.227 114.090 -3.863 18231 2755 1 6 . 1 1 39 39 THR HA H 39 4.252 4.252 3.918 0.334 18231 2756 1 6 . 1 1 39 39 THR C C 39 176.966 176.966 176.133 0.833 18231 2757 1 6 . 1 1 39 39 THR CA C 39 64.485 64.485 65.378 -0.893 18231 2758 1 6 . 1 1 39 39 THR CB C 39 69.254 69.254 68.890 0.364 18231 2759 1 6 . 1 1 39 39 THR H H 39 7.845 7.845 7.765 0.080 18231 2760 1 6 . 1 1 40 40 GLU N N 40 117.400 117.400 119.414 -2.014 18231 2761 1 6 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.156 -0.006 18231 2762 1 6 . 1 1 40 40 GLU C C 40 177.343 177.343 176.845 0.498 18231 2763 1 6 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.528 -1.959 18231 2764 1 6 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.179 -0.598 18231 2765 1 6 . 1 1 40 40 GLU H H 40 8.460 8.460 7.960 0.500 18231 2766 1 6 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.669 0.358 18231 2767 1 6 . 1 1 41 41 LEU C C 41 176.458 176.458 178.048 -1.590 18231 2768 1 6 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.527 -1.092 18231 2769 1 6 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.635 0.672 18231 2770 1 6 . 1 1 42 42 SER N N 42 116.528 116.528 121.508 -4.980 18231 2771 1 6 . 1 1 42 42 SER HA H 42 4.062 4.062 4.497 -0.435 18231 2772 1 6 . 1 1 42 42 SER CA C 42 61.213 61.213 60.972 0.241 18231 2773 1 6 . 1 1 42 42 SER CB C 42 62.378 62.378 62.882 -0.504 18231 2774 1 6 . 1 1 42 42 SER H H 42 8.246 8.246 9.018 -0.772 18231 2775 1 6 . 1 1 43 43 GLY N N 43 111.367 111.367 109.269 2.098 18231 2776 1 6 . 1 1 43 43 GLY C C 43 177.750 177.750 175.468 2.282 18231 2777 1 6 . 1 1 43 43 GLY CA C 43 45.738 45.738 45.963 -0.225 18231 2778 1 6 . 1 1 43 43 GLY H H 43 8.850 8.850 8.543 0.307 18231 2779 1 6 . 1 1 44 44 PHE N N 44 122.213 122.213 120.959 1.254 18231 2780 1 6 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.120 0.243 18231 2781 1 6 . 1 1 44 44 PHE C C 44 176.428 176.428 177.114 -0.686 18231 2782 1 6 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.545 -0.032 18231 2783 1 6 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.280 1.052 18231 2784 1 6 . 1 1 44 44 PHE H H 44 7.936 7.936 8.037 -0.102 18231 2785 1 6 . 1 1 45 45 LEU N N 45 119.395 119.395 120.943 -1.548 18231 2786 1 6 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.478 0.553 18231 2787 1 6 . 1 1 45 45 LEU C C 45 177.212 177.212 178.979 -1.767 18231 2788 1 6 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.345 0.023 18231 2789 1 6 . 1 1 45 45 LEU CB C 45 40.041 40.041 39.847 0.194 18231 2790 1 6 . 1 1 45 45 LEU H H 45 8.133 8.133 6.756 1.377 18231 2791 1 6 . 1 1 46 46 ASP N N 46 117.384 117.384 119.159 -1.775 18231 2792 1 6 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.381 0.001 18231 2793 1 6 . 1 1 46 46 ASP C C 46 176.684 176.684 178.465 -1.781 18231 2794 1 6 . 1 1 46 46 ASP CA C 46 55.312 55.312 56.924 -1.612 18231 2795 1 6 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.957 0.583 18231 2796 1 6 . 1 1 46 46 ASP H H 46 8.139 8.139 8.469 -0.330 18231 2797 1 6 . 1 1 47 47 ALA N N 47 121.052 121.052 122.621 -1.569 18231 2798 1 6 . 1 1 47 47 ALA HA H 47 4.164 4.164 3.980 0.184 18231 2799 1 6 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.733 -2.188 18231 2800 1 6 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.468 -0.119 18231 2801 1 6 . 1 1 47 47 ALA H H 47 7.637 7.637 7.739 -0.102 18231 2802 1 6 . 1 1 48 48 GLN N N 48 116.271 116.271 116.279 -0.008 18231 2803 1 6 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.027 0.113 18231 2804 1 6 . 1 1 48 48 GLN CA C 48 54.979 54.979 57.642 -2.663 18231 2805 1 6 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.926 -0.855 18231 2806 1 6 . 1 1 48 48 GLN H H 48 7.661 7.661 7.606 0.055 18231 2807 1 6 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.217 -0.088 18231 2808 1 6 . 1 1 49 49 LYS C C 49 177.345 177.345 175.220 2.125 18231 2809 1 6 . 1 1 49 49 LYS CA C 49 56.247 56.247 56.664 -0.417 18231 2810 1 6 . 1 1 49 49 LYS CB C 49 31.780 31.780 33.005 -1.225 18231 2811 1 6 . 1 1 50 50 ASP N N 50 118.526 118.526 121.926 -3.400 18231 2812 1 6 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.368 0.289 18231 2813 1 6 . 1 1 50 50 ASP C C 50 177.422 177.422 177.165 0.257 18231 2814 1 6 . 1 1 50 50 ASP CA C 50 53.834 53.834 55.312 -1.478 18231 2815 1 6 . 1 1 50 50 ASP CB C 50 41.689 41.689 39.361 2.328 18231 2816 1 6 . 1 1 50 50 ASP H H 50 7.975 7.975 8.848 -0.873 18231 2817 1 6 . 1 1 51 51 VAL N N 51 120.868 120.868 118.734 2.134 18231 2818 1 6 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.647 0.333 18231 2819 1 6 . 1 1 51 51 VAL C C 51 177.212 177.212 176.844 0.368 18231 2820 1 6 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.613 -2.264 18231 2821 1 6 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.155 -0.419 18231 2822 1 6 . 1 1 51 51 VAL H H 51 8.225 8.225 8.216 0.009 18231 2823 1 6 . 1 1 52 52 ASP N N 52 121.054 121.054 120.089 0.965 18231 2824 1 6 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.262 0.516 18231 2825 1 6 . 1 1 52 52 ASP C C 52 176.912 176.912 177.764 -0.852 18231 2826 1 6 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.240 -3.851 18231 2827 1 6 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.827 0.245 18231 2828 1 6 . 1 1 52 52 ASP H H 52 8.403 8.403 8.381 0.022 18231 2829 1 6 . 1 1 53 53 ALA N N 53 123.449 123.449 122.329 1.120 18231 2830 1 6 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.071 -0.134 18231 2831 1 6 . 1 1 53 53 ALA C C 53 174.124 174.124 179.485 -5.361 18231 2832 1 6 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.861 0.103 18231 2833 1 6 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.353 0.520 18231 2834 1 6 . 1 1 53 53 ALA H H 53 7.757 7.757 7.941 -0.184 18231 2835 1 6 . 1 1 54 54 VAL N N 54 116.105 116.105 118.763 -2.658 18231 2836 1 6 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.597 -0.139 18231 2837 1 6 . 1 1 54 54 VAL C C 54 176.953 176.953 177.820 -0.867 18231 2838 1 6 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.796 -0.901 18231 2839 1 6 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.244 -0.664 18231 2840 1 6 . 1 1 54 54 VAL H H 54 8.281 8.281 8.044 0.237 18231 2841 1 6 . 1 1 55 55 ASP N N 55 120.466 120.466 119.959 0.507 18231 2842 1 6 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.373 -0.208 18231 2843 1 6 . 1 1 55 55 ASP C C 55 174.997 174.997 178.698 -3.701 18231 2844 1 6 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.320 -0.120 18231 2845 1 6 . 1 1 55 55 ASP CB C 55 40.520 40.520 39.965 0.555 18231 2846 1 6 . 1 1 55 55 ASP H H 55 7.667 7.667 8.096 -0.429 18231 2847 1 6 . 1 1 56 56 LYS N N 56 119.065 119.065 120.015 -0.950 18231 2848 1 6 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.041 -0.062 18231 2849 1 6 . 1 1 56 56 LYS C C 56 174.602 174.602 179.201 -4.599 18231 2850 1 6 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.235 -0.690 18231 2851 1 6 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.488 -0.888 18231 2852 1 6 . 1 1 56 56 LYS H H 56 7.628 7.628 7.329 0.299 18231 2853 1 6 . 1 1 57 57 VAL N N 57 119.756 119.756 119.768 -0.012 18231 2854 1 6 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.705 0.022 18231 2855 1 6 . 1 1 57 57 VAL C C 57 175.782 175.782 177.923 -2.141 18231 2856 1 6 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.291 -0.692 18231 2857 1 6 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.785 -0.538 18231 2858 1 6 . 1 1 57 57 VAL H H 57 7.920 7.920 8.109 -0.189 18231 2859 1 6 . 1 1 58 58 MET N N 58 118.541 118.541 118.897 -0.356 18231 2860 1 6 . 1 1 58 58 MET HA H 58 3.936 3.936 4.067 -0.131 18231 2861 1 6 . 1 1 58 58 MET C C 58 176.330 176.330 177.567 -1.237 18231 2862 1 6 . 1 1 58 58 MET CA C 58 58.620 58.620 58.940 -0.320 18231 2863 1 6 . 1 1 58 58 MET CB C 58 32.002 32.002 32.314 -0.312 18231 2864 1 6 . 1 1 58 58 MET H H 58 8.426 8.426 8.256 0.170 18231 2865 1 6 . 1 1 59 59 LYS N N 59 116.084 116.084 119.067 -2.983 18231 2866 1 6 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.930 0.006 18231 2867 1 6 . 1 1 59 59 LYS C C 59 176.918 176.918 178.089 -1.171 18231 2868 1 6 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.639 -0.966 18231 2869 1 6 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.224 0.378 18231 2870 1 6 . 1 1 59 59 LYS H H 59 7.623 7.623 7.685 -0.062 18231 2871 1 6 . 1 1 60 60 GLU N N 60 117.227 117.227 116.784 0.443 18231 2872 1 6 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.084 -0.029 18231 2873 1 6 . 1 1 60 60 GLU C C 60 175.146 175.146 178.604 -3.458 18231 2874 1 6 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.449 -0.418 18231 2875 1 6 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.586 -0.271 18231 2876 1 6 . 1 1 60 60 GLU H H 60 7.592 7.592 7.623 -0.031 18231 2877 1 6 . 1 1 61 61 LEU N N 61 116.051 116.051 118.335 -2.284 18231 2878 1 6 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.163 0.200 18231 2879 1 6 . 1 1 61 61 LEU CA C 61 54.859 54.859 57.107 -2.248 18231 2880 1 6 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.211 1.366 18231 2881 1 6 . 1 1 61 61 LEU H H 61 8.045 8.045 7.371 0.674 18231 2882 1 6 . 1 1 62 62 ASP N N 62 116.891 116.891 118.779 -1.888 18231 2883 1 6 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.878 -0.178 18231 2884 1 6 . 1 1 62 62 ASP C C 62 176.806 176.806 177.308 -0.502 18231 2885 1 6 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.728 -0.612 18231 2886 1 6 . 1 1 62 62 ASP CB C 62 38.651 38.651 38.464 0.187 18231 2887 1 6 . 1 1 62 62 ASP H H 62 8.008 8.008 8.510 -0.502 18231 2888 1 6 . 1 1 63 63 GLU N N 63 129.185 129.185 123.421 5.764 18231 2889 1 6 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.029 0.025 18231 2890 1 6 . 1 1 63 63 GLU C C 63 175.826 175.826 177.234 -1.408 18231 2891 1 6 . 1 1 63 63 GLU CA C 63 58.318 58.318 59.059 -0.741 18231 2892 1 6 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.845 0.373 18231 2893 1 6 . 1 1 63 63 GLU H H 63 8.347 8.347 8.059 0.288 18231 2894 1 6 . 1 1 64 64 ASN N N 64 112.618 112.618 114.818 -2.200 18231 2895 1 6 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.692 0.056 18231 2896 1 6 . 1 1 64 64 ASN C C 64 176.855 176.855 176.369 0.486 18231 2897 1 6 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.581 -0.955 18231 2898 1 6 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.261 -1.388 18231 2899 1 6 . 1 1 64 64 ASN H H 64 7.978 7.978 8.023 -0.045 18231 2900 1 6 . 1 1 65 65 GLY N N 65 109.111 109.111 109.131 -0.020 18231 2901 1 6 . 1 1 65 65 GLY C C 65 178.426 178.426 175.058 3.368 18231 2902 1 6 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.248 0.791 18231 2903 1 6 . 1 1 65 65 GLY H H 65 7.543 7.543 8.040 -0.497 18231 2904 1 6 . 1 1 66 66 ASP N N 66 119.205 119.205 119.409 -0.204 18231 2905 1 6 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.410 0.131 18231 2906 1 6 . 1 1 66 66 ASP C C 66 176.015 176.015 177.831 -1.816 18231 2907 1 6 . 1 1 66 66 ASP CA C 66 52.839 52.839 55.042 -2.203 18231 2908 1 6 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.131 -1.255 18231 2909 1 6 . 1 1 66 66 ASP H H 66 8.113 8.113 8.236 -0.123 18231 2910 1 6 . 1 1 67 67 GLY N N 67 113.254 113.254 107.436 5.818 18231 2911 1 6 . 1 1 67 67 GLY C C 67 180.780 180.780 173.739 7.041 18231 2912 1 6 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.991 0.222 18231 2913 1 6 . 1 1 67 67 GLY H H 67 10.267 10.267 8.822 1.445 18231 2914 1 6 . 1 1 68 68 GLU N N 68 116.975 116.975 119.346 -2.371 18231 2915 1 6 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.598 0.212 18231 2916 1 6 . 1 1 68 68 GLU C C 68 178.130 178.130 174.983 3.147 18231 2917 1 6 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.782 -0.652 18231 2918 1 6 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.113 2.639 18231 2919 1 6 . 1 1 68 68 GLU H H 68 7.714 7.714 8.578 -0.864 18231 2920 1 6 . 1 1 69 69 VAL N N 69 125.146 125.146 121.048 4.098 18231 2921 1 6 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.743 0.506 18231 2922 1 6 . 1 1 69 69 VAL C C 69 177.413 177.413 175.097 2.316 18231 2923 1 6 . 1 1 69 69 VAL CA C 69 60.702 60.702 60.776 -0.074 18231 2924 1 6 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.273 0.214 18231 2925 1 6 . 1 1 69 69 VAL H H 69 9.389 9.389 8.107 1.282 18231 2926 1 6 . 1 1 70 70 ASP N N 70 129.202 129.202 124.514 4.688 18231 2927 1 6 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.112 0.057 18231 2928 1 6 . 1 1 70 70 ASP C C 70 178.332 178.332 176.728 1.604 18231 2929 1 6 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.704 0.441 18231 2930 1 6 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.055 -2.958 18231 2931 1 6 . 1 1 70 70 ASP H H 70 9.109 9.109 8.850 0.259 18231 2932 1 6 . 1 1 71 71 PHE N N 71 118.298 118.298 125.040 -6.742 18231 2933 1 6 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.602 -0.675 18231 2934 1 6 . 1 1 71 71 PHE C C 71 176.763 176.763 176.668 0.095 18231 2935 1 6 . 1 1 71 71 PHE CA C 71 63.051 63.051 62.132 0.919 18231 2936 1 6 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.934 0.055 18231 2937 1 6 . 1 1 71 71 PHE H H 71 8.938 8.938 8.993 -0.055 18231 2938 1 6 . 1 1 72 72 GLN N N 72 116.762 116.762 117.389 -0.627 18231 2939 1 6 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.751 -0.057 18231 2940 1 6 . 1 1 72 72 GLN C C 72 175.208 175.208 178.270 -3.062 18231 2941 1 6 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.452 -0.233 18231 2942 1 6 . 1 1 72 72 GLN CB C 72 27.806 27.806 27.860 -0.054 18231 2943 1 6 . 1 1 72 72 GLN H H 72 7.997 7.997 8.667 -0.670 18231 2944 1 6 . 1 1 73 73 GLU N N 73 120.146 120.146 120.168 -0.022 18231 2945 1 6 . 1 1 73 73 GLU HA H 73 4.096 4.096 4.022 0.074 18231 2946 1 6 . 1 1 73 73 GLU C C 73 174.746 174.746 178.732 -3.986 18231 2947 1 6 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.360 -1.256 18231 2948 1 6 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.562 0.284 18231 2949 1 6 . 1 1 73 73 GLU H H 73 8.289 8.289 7.571 0.719 18231 2950 1 6 . 1 1 74 74 TYR N N 74 121.506 121.506 121.568 -0.062 18231 2951 1 6 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.158 -0.045 18231 2952 1 6 . 1 1 74 74 TYR C C 74 176.925 176.925 177.685 -0.760 18231 2953 1 6 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.670 -2.569 18231 2954 1 6 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.870 -1.498 18231 2955 1 6 . 1 1 74 74 TYR H H 74 8.324 8.324 8.552 -0.228 18231 2956 1 6 . 1 1 75 75 VAL N N 75 120.725 120.725 116.920 3.805 18231 2957 1 6 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.316 -0.443 18231 2958 1 6 . 1 1 75 75 VAL C C 75 176.738 176.738 177.326 -0.588 18231 2959 1 6 . 1 1 75 75 VAL CA C 75 65.880 65.880 65.953 -0.073 18231 2960 1 6 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.400 0.600 18231 2961 1 6 . 1 1 75 75 VAL H H 75 8.074 8.074 8.367 -0.293 18231 2962 1 6 . 1 1 76 76 VAL N N 76 120.118 120.118 121.300 -1.182 18231 2963 1 6 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.526 -0.106 18231 2964 1 6 . 1 1 76 76 VAL C C 76 174.620 174.620 178.138 -3.518 18231 2965 1 6 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.156 0.253 18231 2966 1 6 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.427 -0.651 18231 2967 1 6 . 1 1 76 76 VAL H H 76 7.119 7.119 7.114 0.005 18231 2968 1 6 . 1 1 77 77 LEU N N 77 120.709 120.709 121.000 -0.291 18231 2969 1 6 . 1 1 77 77 LEU HA H 77 4.030 4.030 3.977 0.053 18231 2970 1 6 . 1 1 77 77 LEU C C 77 175.943 175.943 178.378 -2.435 18231 2971 1 6 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.047 -1.107 18231 2972 1 6 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.848 -0.740 18231 2973 1 6 . 1 1 77 77 LEU H H 77 6.865 6.865 7.974 -1.109 18231 2974 1 6 . 1 1 78 78 VAL N N 78 116.930 116.930 116.004 0.926 18231 2975 1 6 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.684 -0.544 18231 2976 1 6 . 1 1 78 78 VAL C C 78 174.150 174.150 177.664 -3.514 18231 2977 1 6 . 1 1 78 78 VAL CA C 78 66.378 66.378 64.624 1.754 18231 2978 1 6 . 1 1 78 78 VAL CB C 78 30.229 30.229 29.905 0.324 18231 2979 1 6 . 1 1 78 78 VAL H H 78 7.539 7.539 7.951 -0.412 18231 2980 1 6 . 1 1 79 79 ALA N N 79 124.551 124.551 123.083 1.468 18231 2981 1 6 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.927 -0.235 18231 2982 1 6 . 1 1 79 79 ALA C C 79 175.111 175.111 179.239 -4.128 18231 2983 1 6 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.257 0.235 18231 2984 1 6 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.965 -0.502 18231 2985 1 6 . 1 1 79 79 ALA H H 79 8.918 8.918 8.184 0.734 18231 2986 1 6 . 1 1 80 80 ALA N N 80 120.223 120.223 120.920 -0.697 18231 2987 1 6 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.146 -0.081 18231 2988 1 6 . 1 1 80 80 ALA C C 80 171.473 171.473 179.351 -7.878 18231 2989 1 6 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.525 0.401 18231 2990 1 6 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.451 -1.025 18231 2991 1 6 . 1 1 80 80 ALA H H 80 7.760 7.760 7.631 0.129 18231 2992 1 6 . 1 1 81 81 LEU N N 81 119.090 119.090 119.807 -0.717 18231 2993 1 6 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.035 0.053 18231 2994 1 6 . 1 1 81 81 LEU C C 81 174.008 174.008 178.617 -4.609 18231 2995 1 6 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.823 -0.166 18231 2996 1 6 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.748 0.483 18231 2997 1 6 . 1 1 81 81 LEU H H 81 8.542 8.542 8.085 0.457 18231 2998 1 6 . 1 1 82 82 THR N N 82 119.585 119.585 113.831 5.754 18231 2999 1 6 . 1 1 82 82 THR HA H 82 4.332 4.332 3.980 0.352 18231 3000 1 6 . 1 1 82 82 THR C C 82 176.758 176.758 176.722 0.036 18231 3001 1 6 . 1 1 82 82 THR CA C 82 67.286 67.286 66.014 1.272 18231 3002 1 6 . 1 1 82 82 THR CB C 82 68.127 68.127 68.677 -0.549 18231 3003 1 6 . 1 1 82 82 THR H H 82 8.421 8.421 8.071 0.350 18231 3004 1 6 . 1 1 83 83 VAL N N 83 121.934 121.934 120.902 1.032 18231 3005 1 6 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.707 0.008 18231 3006 1 6 . 1 1 83 83 VAL C C 83 175.556 175.556 177.822 -2.266 18231 3007 1 6 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.389 0.513 18231 3008 1 6 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.536 0.010 18231 3009 1 6 . 1 1 83 83 VAL H H 83 8.077 8.077 7.433 0.644 18231 3010 1 6 . 1 1 84 84 ALA N N 84 121.367 121.367 122.535 -1.168 18231 3011 1 6 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.044 0.157 18231 3012 1 6 . 1 1 84 84 ALA C C 84 173.936 173.936 179.710 -5.774 18231 3013 1 6 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.236 0.044 18231 3014 1 6 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.971 -0.364 18231 3015 1 6 . 1 1 84 84 ALA H H 84 7.835 7.835 8.401 -0.566 18231 3016 1 6 . 1 1 85 85 CYS N N 85 116.731 116.731 116.452 0.279 18231 3017 1 6 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.291 -0.054 18231 3018 1 6 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.574 -7.923 18231 3019 1 6 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.741 12.229 18231 3020 1 6 . 1 1 85 85 CYS H H 85 8.244 8.244 8.161 0.083 18231 3021 1 6 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.519 -0.136 18231 3022 1 6 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.096 -1.117 18231 3023 1 6 . 1 1 86 86 ASN CB C 86 40.491 40.491 37.695 2.796 18231 3024 1 6 . 1 1 87 87 ASN N N 87 120.372 120.372 119.759 0.613 18231 3025 1 6 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.695 -0.298 18231 3026 1 6 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.958 -0.989 18231 3027 1 6 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.204 -0.816 18231 3028 1 6 . 1 1 87 87 ASN H H 87 7.539 7.539 7.692 -0.153 18231 3029 1 6 . 1 1 88 88 PHE N N 88 118.684 118.684 118.921 -0.237 18231 3030 1 6 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.188 0.184 18231 3031 1 6 . 1 1 88 88 PHE C C 88 177.050 177.050 177.784 -0.734 18231 3032 1 6 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.881 -2.508 18231 3033 1 6 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.591 0.428 18231 3034 1 6 . 1 1 88 88 PHE H H 88 7.862 7.862 8.318 -0.456 18231 3035 1 6 . 1 1 89 89 PHE N N 89 118.515 118.515 120.424 -1.909 18231 3036 1 6 . 1 1 89 89 PHE HA H 89 4.288 4.288 3.985 0.303 18231 3037 1 6 . 1 1 89 89 PHE CA C 89 59.258 59.258 62.257 -2.998 18231 3038 1 6 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.828 0.404 18231 3039 1 6 . 1 1 89 89 PHE H H 89 7.898 7.898 7.747 0.151 18231 3040 1 6 . 1 1 90 90 TRP N N 90 118.964 118.964 117.571 1.393 18231 3041 1 6 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.248 0.237 18231 3042 1 6 . 1 1 90 90 TRP C C 90 174.481 174.481 179.034 -4.553 18231 3043 1 6 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.928 -2.557 18231 3044 1 6 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.263 0.013 18231 3045 1 6 . 1 1 90 90 TRP H H 90 7.773 7.773 7.676 0.097 18231 3046 1 6 . 1 1 91 91 GLU N N 91 120.150 120.150 120.037 0.113 18231 3047 1 6 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.089 -0.032 18231 3048 1 6 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.922 -0.945 18231 3049 1 6 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.286 0.808 18231 3050 1 6 . 1 1 91 91 GLU H H 91 7.812 7.812 7.841 -0.029 18231 3051 1 6 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.499 0.169 18231 3052 1 6 . 1 1 92 92 ASN C C 92 175.577 175.577 176.003 -0.426 18231 3053 1 6 . 1 1 92 92 ASN CA C 92 52.806 52.806 54.464 -1.657 18231 3054 1 6 . 1 1 92 92 ASN CB C 92 38.795 38.795 38.034 0.761 18231 3055 1 7 . 1 1 2 2 SER N N 2 118.234 118.234 115.862 2.372 18231 3056 1 7 . 1 1 2 2 SER HA H 2 4.750 4.750 4.436 0.314 18231 3057 1 7 . 1 1 2 2 SER C C 2 178.105 178.105 175.662 2.443 18231 3058 1 7 . 1 1 2 2 SER CA C 2 57.133 57.133 57.823 -0.690 18231 3059 1 7 . 1 1 2 2 SER CB C 2 64.624 64.624 64.433 0.191 18231 3060 1 7 . 1 1 2 2 SER H H 2 9.007 9.007 8.402 0.605 18231 3061 1 7 . 1 1 3 3 GLU N N 3 123.466 123.466 120.823 2.643 18231 3062 1 7 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.082 0.057 18231 3063 1 7 . 1 1 3 3 GLU C C 3 173.854 173.854 178.723 -4.869 18231 3064 1 7 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.772 1.338 18231 3065 1 7 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.496 -0.596 18231 3066 1 7 . 1 1 3 3 GLU H H 3 9.436 9.436 8.761 0.675 18231 3067 1 7 . 1 1 4 4 LEU N N 4 119.878 119.878 118.904 0.974 18231 3068 1 7 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.027 0.059 18231 3069 1 7 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.183 0.726 18231 3070 1 7 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.353 0.052 18231 3071 1 7 . 1 1 4 4 LEU H H 4 8.891 8.891 7.968 0.923 18231 3072 1 7 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.007 0.004 18231 3073 1 7 . 1 1 5 5 GLU C C 5 173.709 173.709 178.614 -4.905 18231 3074 1 7 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.364 0.233 18231 3075 1 7 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.010 0.045 18231 3076 1 7 . 1 1 6 6 THR N N 6 116.614 116.614 116.328 0.286 18231 3077 1 7 . 1 1 6 6 THR HA H 6 4.019 4.019 4.036 -0.017 18231 3078 1 7 . 1 1 6 6 THR C C 6 176.965 176.965 176.205 0.760 18231 3079 1 7 . 1 1 6 6 THR CA C 6 66.175 66.175 66.479 -0.304 18231 3080 1 7 . 1 1 6 6 THR CB C 6 68.280 68.280 68.489 -0.209 18231 3081 1 7 . 1 1 6 6 THR H H 6 8.316 8.316 7.562 0.754 18231 3082 1 7 . 1 1 7 7 ALA N N 7 126.118 126.118 124.971 1.147 18231 3083 1 7 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.103 0.033 18231 3084 1 7 . 1 1 7 7 ALA C C 7 173.544 173.544 179.668 -6.124 18231 3085 1 7 . 1 1 7 7 ALA CA C 7 54.838 54.838 55.031 -0.192 18231 3086 1 7 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.203 -0.753 18231 3087 1 7 . 1 1 7 7 ALA H H 7 8.167 8.167 7.353 0.814 18231 3088 1 7 . 1 1 8 8 MET N N 8 117.610 117.610 116.972 0.638 18231 3089 1 7 . 1 1 8 8 MET HA H 8 4.174 4.174 4.038 0.136 18231 3090 1 7 . 1 1 8 8 MET C C 8 175.513 175.513 178.769 -3.256 18231 3091 1 7 . 1 1 8 8 MET CA C 8 61.988 61.988 59.548 2.439 18231 3092 1 7 . 1 1 8 8 MET CB C 8 26.277 26.277 32.584 -6.307 18231 3093 1 7 . 1 1 8 8 MET H H 8 8.286 8.286 7.900 0.386 18231 3094 1 7 . 1 1 9 9 GLU N N 9 117.751 117.751 118.459 -0.708 18231 3095 1 7 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.078 -0.158 18231 3096 1 7 . 1 1 9 9 GLU C C 9 174.479 174.479 179.040 -4.561 18231 3097 1 7 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.529 -0.110 18231 3098 1 7 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.710 -0.696 18231 3099 1 7 . 1 1 9 9 GLU H H 9 8.055 8.055 7.917 0.138 18231 3100 1 7 . 1 1 10 10 THR N N 10 117.936 117.936 115.034 2.902 18231 3101 1 7 . 1 1 10 10 THR HA H 10 4.083 4.083 4.098 -0.015 18231 3102 1 7 . 1 1 10 10 THR C C 10 177.781 177.781 176.666 1.115 18231 3103 1 7 . 1 1 10 10 THR CA C 10 66.869 66.869 66.399 0.470 18231 3104 1 7 . 1 1 10 10 THR CB C 10 67.663 67.663 68.673 -1.010 18231 3105 1 7 . 1 1 10 10 THR H H 10 8.398 8.398 8.292 0.106 18231 3106 1 7 . 1 1 11 11 LEU N N 11 119.632 119.632 122.356 -2.724 18231 3107 1 7 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.355 -0.399 18231 3108 1 7 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.675 0.193 18231 3109 1 7 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.347 0.250 18231 3110 1 7 . 1 1 11 11 LEU H H 11 8.134 8.134 7.556 0.578 18231 3111 1 7 . 1 1 12 12 ILE N N 12 119.532 119.532 120.120 -0.588 18231 3112 1 7 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.326 0.642 18231 3113 1 7 . 1 1 12 12 ILE C C 12 175.378 175.378 178.101 -2.723 18231 3114 1 7 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.641 -0.269 18231 3115 1 7 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.286 1.646 18231 3116 1 7 . 1 1 12 12 ILE H H 12 7.751 7.751 7.704 0.047 18231 3117 1 7 . 1 1 13 13 ASN N N 13 121.617 121.617 119.036 2.581 18231 3118 1 7 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.527 0.000 18231 3119 1 7 . 1 1 13 13 ASN C C 13 174.457 174.457 177.913 -3.456 18231 3120 1 7 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.322 -0.262 18231 3121 1 7 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.146 -0.489 18231 3122 1 7 . 1 1 13 13 ASN H H 13 9.012 9.012 8.494 0.518 18231 3123 1 7 . 1 1 14 14 VAL N N 14 120.538 120.538 118.493 2.045 18231 3124 1 7 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.891 -0.076 18231 3125 1 7 . 1 1 14 14 VAL C C 14 176.194 176.194 177.801 -1.607 18231 3126 1 7 . 1 1 14 14 VAL CA C 14 66.080 66.080 65.817 0.263 18231 3127 1 7 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.327 0.244 18231 3128 1 7 . 1 1 14 14 VAL H H 14 8.951 8.951 8.322 0.629 18231 3129 1 7 . 1 1 15 15 PHE N N 15 117.397 117.397 122.409 -5.012 18231 3130 1 7 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.195 -0.726 18231 3131 1 7 . 1 1 15 15 PHE C C 15 176.028 176.028 177.159 -1.131 18231 3132 1 7 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.801 -0.638 18231 3133 1 7 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.290 -0.355 18231 3134 1 7 . 1 1 15 15 PHE H H 15 6.953 6.953 8.576 -1.623 18231 3135 1 7 . 1 1 16 16 HIS N N 16 115.032 115.032 120.224 -5.192 18231 3136 1 7 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.182 0.654 18231 3137 1 7 . 1 1 16 16 HIS C C 16 176.028 176.028 177.293 -1.265 18231 3138 1 7 . 1 1 16 16 HIS CA C 16 58.017 58.017 58.527 -0.510 18231 3139 1 7 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.614 -1.333 18231 3140 1 7 . 1 1 16 16 HIS H H 16 7.736 7.736 8.822 -1.086 18231 3141 1 7 . 1 1 17 17 ALA N N 17 123.252 123.252 121.161 2.091 18231 3142 1 7 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.631 0.417 18231 3143 1 7 . 1 1 17 17 ALA C C 17 174.507 174.507 179.658 -5.151 18231 3144 1 7 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.803 -1.107 18231 3145 1 7 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.904 -0.550 18231 3146 1 7 . 1 1 17 17 ALA H H 17 8.070 8.070 8.028 0.042 18231 3147 1 7 . 1 1 18 18 HIS N N 18 113.812 113.812 117.064 -3.252 18231 3148 1 7 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.213 0.177 18231 3149 1 7 . 1 1 18 18 HIS C C 18 177.747 177.747 178.579 -0.832 18231 3150 1 7 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.151 -2.216 18231 3151 1 7 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.763 2.377 18231 3152 1 7 . 1 1 18 18 HIS H H 18 7.043 7.043 8.180 -1.137 18231 3153 1 7 . 1 1 19 19 SER N N 19 113.634 113.634 115.418 -1.784 18231 3154 1 7 . 1 1 19 19 SER HA H 19 3.673 3.673 4.272 -0.599 18231 3155 1 7 . 1 1 19 19 SER C C 19 176.511 176.511 177.049 -0.538 18231 3156 1 7 . 1 1 19 19 SER CA C 19 60.926 60.926 60.624 0.302 18231 3157 1 7 . 1 1 19 19 SER CB C 19 60.919 60.919 62.415 -1.496 18231 3158 1 7 . 1 1 19 19 SER H H 19 8.489 8.489 8.204 0.285 18231 3159 1 7 . 1 1 20 20 GLY N N 20 111.572 111.572 108.715 2.857 18231 3160 1 7 . 1 1 20 20 GLY C C 20 179.798 179.798 175.752 4.046 18231 3161 1 7 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.446 -1.354 18231 3162 1 7 . 1 1 20 20 GLY H H 20 7.734 7.734 8.288 -0.554 18231 3163 1 7 . 1 1 21 21 LYS N N 21 122.204 122.204 120.804 1.400 18231 3164 1 7 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.041 -0.117 18231 3165 1 7 . 1 1 21 21 LYS C C 21 176.162 176.162 177.289 -1.127 18231 3166 1 7 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.765 0.331 18231 3167 1 7 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.552 -0.652 18231 3168 1 7 . 1 1 21 21 LYS H H 21 7.196 7.196 7.677 -0.481 18231 3169 1 7 . 1 1 22 22 GLU N N 22 115.840 115.840 117.850 -2.010 18231 3170 1 7 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.488 0.179 18231 3171 1 7 . 1 1 22 22 GLU C C 22 176.511 176.511 176.492 0.019 18231 3172 1 7 . 1 1 22 22 GLU CA C 22 53.781 53.781 54.800 -1.019 18231 3173 1 7 . 1 1 22 22 GLU CB C 22 32.641 32.641 28.743 3.898 18231 3174 1 7 . 1 1 22 22 GLU H H 22 9.363 9.363 7.640 1.723 18231 3175 1 7 . 1 1 23 23 GLY N N 23 111.558 111.558 110.733 0.825 18231 3176 1 7 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.453 0.047 18231 3177 1 7 . 1 1 23 23 GLY H H 23 7.710 7.710 8.039 -0.329 18231 3178 1 7 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.233 0.175 18231 3179 1 7 . 1 1 24 24 ASP C C 24 173.495 173.495 176.854 -3.359 18231 3180 1 7 . 1 1 24 24 ASP CA C 24 54.717 54.717 55.210 -0.493 18231 3181 1 7 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.282 2.778 18231 3182 1 7 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.963 0.324 18231 3183 1 7 . 1 1 25 25 LYS CA C 25 57.529 57.529 58.965 -1.435 18231 3184 1 7 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.429 -1.520 18231 3185 1 7 . 1 1 26 26 TYR N N 26 119.467 119.467 115.809 3.658 18231 3186 1 7 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.517 0.194 18231 3187 1 7 . 1 1 26 26 TYR C C 26 179.682 179.682 176.156 3.526 18231 3188 1 7 . 1 1 26 26 TYR CA C 26 55.824 55.824 57.715 -1.891 18231 3189 1 7 . 1 1 26 26 TYR CB C 26 37.671 37.671 37.904 -0.233 18231 3190 1 7 . 1 1 26 26 TYR H H 26 9.377 9.377 8.048 1.329 18231 3191 1 7 . 1 1 27 27 LYS N N 27 114.770 114.770 118.533 -3.763 18231 3192 1 7 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.660 0.462 18231 3193 1 7 . 1 1 27 27 LYS C C 27 178.721 178.721 175.214 3.507 18231 3194 1 7 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.759 -0.032 18231 3195 1 7 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.344 3.145 18231 3196 1 7 . 1 1 27 27 LYS H H 27 7.100 7.100 7.733 -0.633 18231 3197 1 7 . 1 1 28 28 LEU N N 28 125.858 125.858 126.726 -0.868 18231 3198 1 7 . 1 1 28 28 LEU HA H 28 5.183 5.183 5.048 0.135 18231 3199 1 7 . 1 1 28 28 LEU C C 28 177.490 177.490 175.631 1.859 18231 3200 1 7 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.277 -0.944 18231 3201 1 7 . 1 1 28 28 LEU CB C 28 42.586 42.586 45.074 -2.488 18231 3202 1 7 . 1 1 28 28 LEU H H 28 9.750 9.750 8.492 1.258 18231 3203 1 7 . 1 1 29 29 SER N N 29 120.926 120.926 119.746 1.180 18231 3204 1 7 . 1 1 29 29 SER HA H 29 4.560 4.560 5.206 -0.646 18231 3205 1 7 . 1 1 29 29 SER C C 29 178.943 178.943 175.471 3.472 18231 3206 1 7 . 1 1 29 29 SER CA C 29 55.907 55.907 55.911 -0.004 18231 3207 1 7 . 1 1 29 29 SER CB C 29 65.035 65.035 66.228 -1.192 18231 3208 1 7 . 1 1 29 29 SER H H 29 9.907 9.907 8.350 1.557 18231 3209 1 7 . 1 1 30 30 LYS N N 30 120.263 120.263 122.905 -2.642 18231 3210 1 7 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.928 -0.077 18231 3211 1 7 . 1 1 30 30 LYS C C 30 175.519 175.519 178.354 -2.835 18231 3212 1 7 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.247 0.413 18231 3213 1 7 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.259 -0.521 18231 3214 1 7 . 1 1 30 30 LYS H H 30 8.838 8.838 9.025 -0.187 18231 3215 1 7 . 1 1 31 31 LYS N N 31 118.292 118.292 117.565 0.727 18231 3216 1 7 . 1 1 31 31 LYS HA H 31 3.922 3.922 3.997 -0.075 18231 3217 1 7 . 1 1 31 31 LYS C C 31 174.664 174.664 179.096 -4.432 18231 3218 1 7 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.553 -0.255 18231 3219 1 7 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.152 0.513 18231 3220 1 7 . 1 1 31 31 LYS H H 31 7.903 7.903 8.297 -0.394 18231 3221 1 7 . 1 1 32 32 GLU N N 32 119.243 119.243 119.061 0.182 18231 3222 1 7 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.016 -0.109 18231 3223 1 7 . 1 1 32 32 GLU C C 32 174.836 174.836 178.980 -4.144 18231 3224 1 7 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.115 -0.799 18231 3225 1 7 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.752 1.125 18231 3226 1 7 . 1 1 32 32 GLU H H 32 7.499 7.499 7.573 -0.074 18231 3227 1 7 . 1 1 33 33 LEU N N 33 119.432 119.432 119.239 0.193 18231 3228 1 7 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.082 -0.164 18231 3229 1 7 . 1 1 33 33 LEU C C 33 175.740 175.740 177.870 -2.130 18231 3230 1 7 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.115 0.153 18231 3231 1 7 . 1 1 33 33 LEU CB C 33 40.981 40.981 40.976 0.005 18231 3232 1 7 . 1 1 33 33 LEU H H 33 9.062 9.062 8.296 0.766 18231 3233 1 7 . 1 1 34 34 LYS N N 34 119.090 119.090 120.718 -1.628 18231 3234 1 7 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.827 -0.173 18231 3235 1 7 . 1 1 34 34 LYS C C 34 175.916 175.916 178.426 -2.510 18231 3236 1 7 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.226 0.058 18231 3237 1 7 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.153 -0.753 18231 3238 1 7 . 1 1 34 34 LYS H H 34 8.236 8.236 8.510 -0.274 18231 3239 1 7 . 1 1 35 35 GLU N N 35 117.482 117.482 119.018 -1.536 18231 3240 1 7 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.965 0.032 18231 3241 1 7 . 1 1 35 35 GLU C C 35 174.549 174.549 178.732 -4.183 18231 3242 1 7 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.274 -0.045 18231 3243 1 7 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.241 -0.408 18231 3244 1 7 . 1 1 35 35 GLU H H 35 7.734 7.734 7.614 0.120 18231 3245 1 7 . 1 1 36 36 LEU N N 36 124.601 124.601 119.497 5.104 18231 3246 1 7 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.798 -1.110 18231 3247 1 7 . 1 1 36 36 LEU C C 36 174.780 174.780 179.006 -4.226 18231 3248 1 7 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.941 1.387 18231 3249 1 7 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.861 0.773 18231 3250 1 7 . 1 1 36 36 LEU H H 36 8.308 8.308 7.078 1.230 18231 3251 1 7 . 1 1 37 37 LEU N N 37 118.901 118.901 118.892 0.009 18231 3252 1 7 . 1 1 37 37 LEU HA H 37 3.733 3.733 4.019 -0.286 18231 3253 1 7 . 1 1 37 37 LEU C C 37 174.771 174.771 179.703 -4.932 18231 3254 1 7 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.687 0.226 18231 3255 1 7 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.436 -0.150 18231 3256 1 7 . 1 1 37 37 LEU H H 37 8.663 8.663 8.316 0.347 18231 3257 1 7 . 1 1 38 38 GLN N N 38 114.582 114.582 118.682 -4.100 18231 3258 1 7 . 1 1 38 38 GLN HA H 38 3.957 3.957 3.997 -0.040 18231 3259 1 7 . 1 1 38 38 GLN C C 38 175.747 175.747 177.766 -2.019 18231 3260 1 7 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.926 -0.755 18231 3261 1 7 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.818 -0.189 18231 3262 1 7 . 1 1 38 38 GLN H H 38 8.507 8.507 8.222 0.285 18231 3263 1 7 . 1 1 39 39 THR N N 39 110.227 110.227 113.442 -3.215 18231 3264 1 7 . 1 1 39 39 THR HA H 39 4.252 4.252 3.908 0.344 18231 3265 1 7 . 1 1 39 39 THR C C 39 176.966 176.966 175.815 1.151 18231 3266 1 7 . 1 1 39 39 THR CA C 39 64.485 64.485 65.547 -1.062 18231 3267 1 7 . 1 1 39 39 THR CB C 39 69.254 69.254 68.811 0.443 18231 3268 1 7 . 1 1 39 39 THR H H 39 7.845 7.845 8.053 -0.208 18231 3269 1 7 . 1 1 40 40 GLU N N 40 117.400 117.400 120.793 -3.393 18231 3270 1 7 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.167 -0.017 18231 3271 1 7 . 1 1 40 40 GLU C C 40 177.343 177.343 176.908 0.435 18231 3272 1 7 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.574 -2.005 18231 3273 1 7 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.291 -0.710 18231 3274 1 7 . 1 1 40 40 GLU H H 40 8.460 8.460 8.009 0.451 18231 3275 1 7 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.606 0.421 18231 3276 1 7 . 1 1 41 41 LEU C C 41 176.458 176.458 177.858 -1.400 18231 3277 1 7 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.903 -1.468 18231 3278 1 7 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.833 0.474 18231 3279 1 7 . 1 1 42 42 SER N N 42 116.528 116.528 120.201 -3.673 18231 3280 1 7 . 1 1 42 42 SER HA H 42 4.062 4.062 4.467 -0.405 18231 3281 1 7 . 1 1 42 42 SER CA C 42 61.213 61.213 62.001 -0.788 18231 3282 1 7 . 1 1 42 42 SER CB C 42 62.378 62.378 62.947 -0.570 18231 3283 1 7 . 1 1 42 42 SER H H 42 8.246 8.246 9.064 -0.818 18231 3284 1 7 . 1 1 43 43 GLY N N 43 111.367 111.367 109.209 2.158 18231 3285 1 7 . 1 1 43 43 GLY C C 43 177.750 177.750 175.607 2.143 18231 3286 1 7 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.352 -0.615 18231 3287 1 7 . 1 1 43 43 GLY H H 43 8.850 8.850 8.623 0.227 18231 3288 1 7 . 1 1 44 44 PHE N N 44 122.213 122.213 121.079 1.134 18231 3289 1 7 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.106 0.257 18231 3290 1 7 . 1 1 44 44 PHE C C 44 176.428 176.428 177.050 -0.622 18231 3291 1 7 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.405 0.108 18231 3292 1 7 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.115 1.217 18231 3293 1 7 . 1 1 44 44 PHE H H 44 7.936 7.936 8.071 -0.135 18231 3294 1 7 . 1 1 45 45 LEU N N 45 119.395 119.395 121.030 -1.635 18231 3295 1 7 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.336 0.695 18231 3296 1 7 . 1 1 45 45 LEU C C 45 177.212 177.212 179.130 -1.918 18231 3297 1 7 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.133 0.235 18231 3298 1 7 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.494 -0.453 18231 3299 1 7 . 1 1 45 45 LEU H H 45 8.133 8.133 6.713 1.420 18231 3300 1 7 . 1 1 46 46 ASP N N 46 117.384 117.384 118.829 -1.445 18231 3301 1 7 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.280 0.102 18231 3302 1 7 . 1 1 46 46 ASP C C 46 176.684 176.684 178.233 -1.549 18231 3303 1 7 . 1 1 46 46 ASP CA C 46 55.312 55.312 56.815 -1.503 18231 3304 1 7 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.916 0.624 18231 3305 1 7 . 1 1 46 46 ASP H H 46 8.139 8.139 8.479 -0.340 18231 3306 1 7 . 1 1 47 47 ALA N N 47 121.052 121.052 122.302 -1.250 18231 3307 1 7 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.018 0.146 18231 3308 1 7 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.708 -2.163 18231 3309 1 7 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.510 -0.161 18231 3310 1 7 . 1 1 47 47 ALA H H 47 7.637 7.637 7.800 -0.163 18231 3311 1 7 . 1 1 48 48 GLN N N 48 116.271 116.271 116.163 0.108 18231 3312 1 7 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.049 0.091 18231 3313 1 7 . 1 1 48 48 GLN CA C 48 54.979 54.979 57.700 -2.721 18231 3314 1 7 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.919 -0.848 18231 3315 1 7 . 1 1 48 48 GLN H H 48 7.661 7.661 7.607 0.054 18231 3316 1 7 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.278 -0.149 18231 3317 1 7 . 1 1 49 49 LYS C C 49 177.345 177.345 175.083 2.262 18231 3318 1 7 . 1 1 49 49 LYS CA C 49 56.247 56.247 56.227 0.020 18231 3319 1 7 . 1 1 49 49 LYS CB C 49 31.780 31.780 33.181 -1.401 18231 3320 1 7 . 1 1 50 50 ASP N N 50 118.526 118.526 121.288 -2.762 18231 3321 1 7 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.385 0.273 18231 3322 1 7 . 1 1 50 50 ASP C C 50 177.422 177.422 176.634 0.788 18231 3323 1 7 . 1 1 50 50 ASP CA C 50 53.834 53.834 55.123 -1.289 18231 3324 1 7 . 1 1 50 50 ASP CB C 50 41.689 41.689 39.905 1.784 18231 3325 1 7 . 1 1 50 50 ASP H H 50 7.975 7.975 8.931 -0.957 18231 3326 1 7 . 1 1 51 51 VAL N N 51 120.868 120.868 118.521 2.347 18231 3327 1 7 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.793 0.187 18231 3328 1 7 . 1 1 51 51 VAL C C 51 177.212 177.212 176.831 0.381 18231 3329 1 7 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.500 -2.151 18231 3330 1 7 . 1 1 51 51 VAL CB C 51 31.736 31.736 31.879 -0.143 18231 3331 1 7 . 1 1 51 51 VAL H H 51 8.225 8.225 8.428 -0.203 18231 3332 1 7 . 1 1 52 52 ASP N N 52 121.054 121.054 120.683 0.371 18231 3333 1 7 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.284 0.494 18231 3334 1 7 . 1 1 52 52 ASP C C 52 176.912 176.912 177.890 -0.978 18231 3335 1 7 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.364 -3.974 18231 3336 1 7 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.958 0.114 18231 3337 1 7 . 1 1 52 52 ASP H H 52 8.403 8.403 8.365 0.038 18231 3338 1 7 . 1 1 53 53 ALA N N 53 123.449 123.449 122.514 0.935 18231 3339 1 7 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.082 -0.145 18231 3340 1 7 . 1 1 53 53 ALA C C 53 174.124 174.124 179.366 -5.242 18231 3341 1 7 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.807 0.156 18231 3342 1 7 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.299 0.574 18231 3343 1 7 . 1 1 53 53 ALA H H 53 7.757 7.757 8.005 -0.248 18231 3344 1 7 . 1 1 54 54 VAL N N 54 116.105 116.105 118.745 -2.640 18231 3345 1 7 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.488 -0.030 18231 3346 1 7 . 1 1 54 54 VAL C C 54 176.953 176.953 177.577 -0.624 18231 3347 1 7 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.683 -0.788 18231 3348 1 7 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.316 -0.736 18231 3349 1 7 . 1 1 54 54 VAL H H 54 8.281 8.281 8.277 0.004 18231 3350 1 7 . 1 1 55 55 ASP N N 55 120.466 120.466 120.023 0.443 18231 3351 1 7 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.391 -0.226 18231 3352 1 7 . 1 1 55 55 ASP C C 55 174.997 174.997 178.725 -3.728 18231 3353 1 7 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.705 -0.505 18231 3354 1 7 . 1 1 55 55 ASP CB C 55 40.520 40.520 39.989 0.531 18231 3355 1 7 . 1 1 55 55 ASP H H 55 7.667 7.667 8.308 -0.641 18231 3356 1 7 . 1 1 56 56 LYS N N 56 119.065 119.065 119.877 -0.812 18231 3357 1 7 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.067 -0.088 18231 3358 1 7 . 1 1 56 56 LYS C C 56 174.602 174.602 179.027 -4.425 18231 3359 1 7 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.190 -0.645 18231 3360 1 7 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.342 -0.742 18231 3361 1 7 . 1 1 56 56 LYS H H 56 7.628 7.628 7.304 0.324 18231 3362 1 7 . 1 1 57 57 VAL N N 57 119.756 119.756 119.691 0.065 18231 3363 1 7 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.732 -0.005 18231 3364 1 7 . 1 1 57 57 VAL C C 57 175.782 175.782 178.234 -2.452 18231 3365 1 7 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.076 -0.477 18231 3366 1 7 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.628 -0.381 18231 3367 1 7 . 1 1 57 57 VAL H H 57 7.920 7.920 8.171 -0.251 18231 3368 1 7 . 1 1 58 58 MET N N 58 118.541 118.541 119.117 -0.576 18231 3369 1 7 . 1 1 58 58 MET HA H 58 3.936 3.936 4.207 -0.271 18231 3370 1 7 . 1 1 58 58 MET C C 58 176.330 176.330 177.722 -1.392 18231 3371 1 7 . 1 1 58 58 MET CA C 58 58.620 58.620 57.730 0.890 18231 3372 1 7 . 1 1 58 58 MET CB C 58 32.002 32.002 32.073 -0.071 18231 3373 1 7 . 1 1 58 58 MET H H 58 8.426 8.426 8.497 -0.071 18231 3374 1 7 . 1 1 59 59 LYS N N 59 116.084 116.084 119.813 -3.729 18231 3375 1 7 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.941 -0.005 18231 3376 1 7 . 1 1 59 59 LYS C C 59 176.918 176.918 178.280 -1.362 18231 3377 1 7 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.682 -1.008 18231 3378 1 7 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.272 0.330 18231 3379 1 7 . 1 1 59 59 LYS H H 59 7.623 7.623 8.081 -0.458 18231 3380 1 7 . 1 1 60 60 GLU N N 60 117.227 117.227 116.732 0.495 18231 3381 1 7 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.177 -0.122 18231 3382 1 7 . 1 1 60 60 GLU C C 60 175.146 175.146 178.296 -3.150 18231 3383 1 7 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.051 -0.020 18231 3384 1 7 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.727 -0.412 18231 3385 1 7 . 1 1 60 60 GLU H H 60 7.592 7.592 7.629 -0.037 18231 3386 1 7 . 1 1 61 61 LEU N N 61 116.051 116.051 119.296 -3.245 18231 3387 1 7 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.164 0.199 18231 3388 1 7 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.535 -1.676 18231 3389 1 7 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.680 0.897 18231 3390 1 7 . 1 1 61 61 LEU H H 61 8.045 8.045 7.364 0.681 18231 3391 1 7 . 1 1 62 62 ASP N N 62 116.891 116.891 117.529 -0.638 18231 3392 1 7 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.937 -0.237 18231 3393 1 7 . 1 1 62 62 ASP C C 62 176.806 176.806 176.550 0.256 18231 3394 1 7 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.549 -0.433 18231 3395 1 7 . 1 1 62 62 ASP CB C 62 38.651 38.651 39.938 -1.287 18231 3396 1 7 . 1 1 62 62 ASP H H 62 8.008 8.008 8.028 -0.020 18231 3397 1 7 . 1 1 63 63 GLU N N 63 129.185 129.185 125.865 3.320 18231 3398 1 7 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.009 0.045 18231 3399 1 7 . 1 1 63 63 GLU C C 63 175.826 175.826 177.942 -2.116 18231 3400 1 7 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.717 -0.398 18231 3401 1 7 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.912 0.306 18231 3402 1 7 . 1 1 63 63 GLU H H 63 8.347 8.347 8.431 -0.083 18231 3403 1 7 . 1 1 64 64 ASN N N 64 112.618 112.618 116.561 -3.943 18231 3404 1 7 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.512 0.236 18231 3405 1 7 . 1 1 64 64 ASN C C 64 176.855 176.855 176.318 0.537 18231 3406 1 7 . 1 1 64 64 ASN CA C 64 51.626 51.626 54.596 -2.970 18231 3407 1 7 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.968 -2.095 18231 3408 1 7 . 1 1 64 64 ASN H H 64 7.978 7.978 8.664 -0.686 18231 3409 1 7 . 1 1 65 65 GLY N N 65 109.111 109.111 107.003 2.108 18231 3410 1 7 . 1 1 65 65 GLY C C 65 178.426 178.426 174.427 3.999 18231 3411 1 7 . 1 1 65 65 GLY CA C 65 47.039 47.039 45.609 1.430 18231 3412 1 7 . 1 1 65 65 GLY H H 65 7.543 7.543 8.637 -1.094 18231 3413 1 7 . 1 1 66 66 ASP N N 66 119.205 119.205 120.351 -1.146 18231 3414 1 7 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.635 -0.094 18231 3415 1 7 . 1 1 66 66 ASP C C 66 176.015 176.015 177.348 -1.333 18231 3416 1 7 . 1 1 66 66 ASP CA C 66 52.839 52.839 52.849 -0.010 18231 3417 1 7 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.678 -0.802 18231 3418 1 7 . 1 1 66 66 ASP H H 66 8.113 8.113 7.912 0.201 18231 3419 1 7 . 1 1 67 67 GLY N N 67 113.254 113.254 109.163 4.091 18231 3420 1 7 . 1 1 67 67 GLY C C 67 180.780 180.780 173.786 6.994 18231 3421 1 7 . 1 1 67 67 GLY CA C 67 45.213 45.213 45.529 -0.316 18231 3422 1 7 . 1 1 67 67 GLY H H 67 10.267 10.267 9.045 1.222 18231 3423 1 7 . 1 1 68 68 GLU N N 68 116.975 116.975 119.482 -2.507 18231 3424 1 7 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.739 0.071 18231 3425 1 7 . 1 1 68 68 GLU C C 68 178.130 178.130 174.807 3.323 18231 3426 1 7 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.162 -0.032 18231 3427 1 7 . 1 1 68 68 GLU CB C 68 35.752 35.752 32.903 2.849 18231 3428 1 7 . 1 1 68 68 GLU H H 68 7.714 7.714 7.783 -0.069 18231 3429 1 7 . 1 1 69 69 VAL N N 69 125.146 125.146 121.211 3.935 18231 3430 1 7 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.684 0.565 18231 3431 1 7 . 1 1 69 69 VAL C C 69 177.413 177.413 175.103 2.310 18231 3432 1 7 . 1 1 69 69 VAL CA C 69 60.702 60.702 60.945 -0.243 18231 3433 1 7 . 1 1 69 69 VAL CB C 69 33.487 33.487 32.937 0.550 18231 3434 1 7 . 1 1 69 69 VAL H H 69 9.389 9.389 7.964 1.425 18231 3435 1 7 . 1 1 70 70 ASP N N 70 129.202 129.202 125.142 4.060 18231 3436 1 7 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.004 0.165 18231 3437 1 7 . 1 1 70 70 ASP C C 70 178.332 178.332 177.090 1.242 18231 3438 1 7 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.560 0.585 18231 3439 1 7 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.295 -3.198 18231 3440 1 7 . 1 1 70 70 ASP H H 70 9.109 9.109 8.527 0.582 18231 3441 1 7 . 1 1 71 71 PHE N N 71 118.298 118.298 125.809 -7.511 18231 3442 1 7 . 1 1 71 71 PHE HA H 71 2.927 2.927 4.036 -1.109 18231 3443 1 7 . 1 1 71 71 PHE C C 71 176.763 176.763 176.620 0.143 18231 3444 1 7 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.810 1.241 18231 3445 1 7 . 1 1 71 71 PHE CB C 71 38.989 38.989 39.158 -0.169 18231 3446 1 7 . 1 1 71 71 PHE H H 71 8.938 8.938 8.902 0.036 18231 3447 1 7 . 1 1 72 72 GLN N N 72 116.762 116.762 117.573 -0.811 18231 3448 1 7 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.721 -0.027 18231 3449 1 7 . 1 1 72 72 GLN C C 72 175.208 175.208 178.096 -2.888 18231 3450 1 7 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.358 -0.139 18231 3451 1 7 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.215 -0.409 18231 3452 1 7 . 1 1 72 72 GLN H H 72 7.997 7.997 8.656 -0.659 18231 3453 1 7 . 1 1 73 73 GLU N N 73 120.146 120.146 120.226 -0.080 18231 3454 1 7 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.991 0.105 18231 3455 1 7 . 1 1 73 73 GLU C C 73 174.746 174.746 178.793 -4.047 18231 3456 1 7 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.270 -1.166 18231 3457 1 7 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.643 0.203 18231 3458 1 7 . 1 1 73 73 GLU H H 73 8.289 8.289 7.799 0.490 18231 3459 1 7 . 1 1 74 74 TYR N N 74 121.506 121.506 121.480 0.026 18231 3460 1 7 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.147 -0.034 18231 3461 1 7 . 1 1 74 74 TYR C C 74 176.925 176.925 177.513 -0.588 18231 3462 1 7 . 1 1 74 74 TYR CA C 74 59.101 59.101 60.602 -1.501 18231 3463 1 7 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.438 -1.066 18231 3464 1 7 . 1 1 74 74 TYR H H 74 8.324 8.324 8.348 -0.024 18231 3465 1 7 . 1 1 75 75 VAL N N 75 120.725 120.725 118.061 2.664 18231 3466 1 7 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.040 -0.167 18231 3467 1 7 . 1 1 75 75 VAL C C 75 176.738 176.738 177.947 -1.209 18231 3468 1 7 . 1 1 75 75 VAL CA C 75 65.880 65.880 67.143 -1.263 18231 3469 1 7 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.809 0.191 18231 3470 1 7 . 1 1 75 75 VAL H H 75 8.074 8.074 8.125 -0.051 18231 3471 1 7 . 1 1 76 76 VAL N N 76 120.118 120.118 119.752 0.366 18231 3472 1 7 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.502 -0.082 18231 3473 1 7 . 1 1 76 76 VAL C C 76 174.620 174.620 178.085 -3.465 18231 3474 1 7 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.521 -0.112 18231 3475 1 7 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.567 -0.791 18231 3476 1 7 . 1 1 76 76 VAL H H 76 7.119 7.119 7.234 -0.115 18231 3477 1 7 . 1 1 77 77 LEU N N 77 120.709 120.709 120.777 -0.068 18231 3478 1 7 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.031 -0.001 18231 3479 1 7 . 1 1 77 77 LEU C C 77 175.943 175.943 178.555 -2.612 18231 3480 1 7 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.256 -1.316 18231 3481 1 7 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.946 -0.838 18231 3482 1 7 . 1 1 77 77 LEU H H 77 6.865 6.865 7.981 -1.116 18231 3483 1 7 . 1 1 78 78 VAL N N 78 116.930 116.930 115.379 1.551 18231 3484 1 7 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.732 -0.592 18231 3485 1 7 . 1 1 78 78 VAL C C 78 174.150 174.150 177.558 -3.408 18231 3486 1 7 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.686 0.692 18231 3487 1 7 . 1 1 78 78 VAL CB C 78 30.229 30.229 31.052 -0.823 18231 3488 1 7 . 1 1 78 78 VAL H H 78 7.539 7.539 8.038 -0.499 18231 3489 1 7 . 1 1 79 79 ALA N N 79 124.551 124.551 122.438 2.113 18231 3490 1 7 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.908 -0.216 18231 3491 1 7 . 1 1 79 79 ALA C C 79 175.111 175.111 179.228 -4.117 18231 3492 1 7 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.147 0.345 18231 3493 1 7 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.985 -0.522 18231 3494 1 7 . 1 1 79 79 ALA H H 79 8.918 8.918 8.235 0.683 18231 3495 1 7 . 1 1 80 80 ALA N N 80 120.223 120.223 120.929 -0.706 18231 3496 1 7 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.146 -0.081 18231 3497 1 7 . 1 1 80 80 ALA C C 80 171.473 171.473 179.331 -7.858 18231 3498 1 7 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.522 0.404 18231 3499 1 7 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.476 -1.050 18231 3500 1 7 . 1 1 80 80 ALA H H 80 7.760 7.760 7.905 -0.145 18231 3501 1 7 . 1 1 81 81 LEU N N 81 119.090 119.090 119.930 -0.840 18231 3502 1 7 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.011 0.077 18231 3503 1 7 . 1 1 81 81 LEU C C 81 174.008 174.008 178.647 -4.639 18231 3504 1 7 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.836 -0.179 18231 3505 1 7 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.749 0.482 18231 3506 1 7 . 1 1 81 81 LEU H H 81 8.542 8.542 8.097 0.445 18231 3507 1 7 . 1 1 82 82 THR N N 82 119.585 119.585 114.145 5.440 18231 3508 1 7 . 1 1 82 82 THR HA H 82 4.332 4.332 3.968 0.364 18231 3509 1 7 . 1 1 82 82 THR C C 82 176.758 176.758 176.733 0.025 18231 3510 1 7 . 1 1 82 82 THR CA C 82 67.286 67.286 66.550 0.736 18231 3511 1 7 . 1 1 82 82 THR CB C 82 68.127 68.127 68.598 -0.471 18231 3512 1 7 . 1 1 82 82 THR H H 82 8.421 8.421 7.988 0.433 18231 3513 1 7 . 1 1 83 83 VAL N N 83 121.934 121.934 120.884 1.050 18231 3514 1 7 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.672 0.043 18231 3515 1 7 . 1 1 83 83 VAL C C 83 175.556 175.556 177.501 -1.945 18231 3516 1 7 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.092 0.811 18231 3517 1 7 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.707 -0.161 18231 3518 1 7 . 1 1 83 83 VAL H H 83 8.077 8.077 7.400 0.677 18231 3519 1 7 . 1 1 84 84 ALA N N 84 121.367 121.367 122.233 -0.866 18231 3520 1 7 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.072 0.129 18231 3521 1 7 . 1 1 84 84 ALA C C 84 173.936 173.936 179.369 -5.433 18231 3522 1 7 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.082 0.198 18231 3523 1 7 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.840 -0.233 18231 3524 1 7 . 1 1 84 84 ALA H H 84 7.835 7.835 8.185 -0.350 18231 3525 1 7 . 1 1 85 85 CYS N N 85 116.731 116.731 116.417 0.314 18231 3526 1 7 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.011 0.226 18231 3527 1 7 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.171 -7.520 18231 3528 1 7 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.401 11.569 18231 3529 1 7 . 1 1 85 85 CYS H H 85 8.244 8.244 8.023 0.221 18231 3530 1 7 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.524 -0.141 18231 3531 1 7 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.231 -1.252 18231 3532 1 7 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.342 2.149 18231 3533 1 7 . 1 1 87 87 ASN N N 87 120.372 120.372 118.806 1.566 18231 3534 1 7 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.516 -0.119 18231 3535 1 7 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.237 -1.268 18231 3536 1 7 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.672 -1.284 18231 3537 1 7 . 1 1 87 87 ASN H H 87 7.539 7.539 7.616 -0.077 18231 3538 1 7 . 1 1 88 88 PHE N N 88 118.684 118.684 120.835 -2.151 18231 3539 1 7 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.412 -0.040 18231 3540 1 7 . 1 1 88 88 PHE C C 88 177.050 177.050 177.066 -0.016 18231 3541 1 7 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.680 -2.307 18231 3542 1 7 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.947 0.072 18231 3543 1 7 . 1 1 88 88 PHE H H 88 7.862 7.862 8.586 -0.724 18231 3544 1 7 . 1 1 89 89 PHE N N 89 118.515 118.515 119.990 -1.475 18231 3545 1 7 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.193 0.095 18231 3546 1 7 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.546 -2.288 18231 3547 1 7 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.946 0.286 18231 3548 1 7 . 1 1 89 89 PHE H H 89 7.898 7.898 7.818 0.080 18231 3549 1 7 . 1 1 90 90 TRP N N 90 118.964 118.964 121.065 -2.101 18231 3550 1 7 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.321 0.164 18231 3551 1 7 . 1 1 90 90 TRP C C 90 174.481 174.481 177.998 -3.517 18231 3552 1 7 . 1 1 90 90 TRP CA C 90 57.371 57.371 61.278 -3.907 18231 3553 1 7 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.743 -0.467 18231 3554 1 7 . 1 1 90 90 TRP H H 90 7.773 7.773 7.968 -0.195 18231 3555 1 7 . 1 1 91 91 GLU N N 91 120.150 120.150 116.665 3.485 18231 3556 1 7 . 1 1 91 91 GLU HA H 91 4.057 4.057 3.969 0.089 18231 3557 1 7 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.221 -0.244 18231 3558 1 7 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.691 0.403 18231 3559 1 7 . 1 1 91 91 GLU H H 91 7.812 7.812 7.872 -0.060 18231 3560 1 7 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.469 0.199 18231 3561 1 7 . 1 1 92 92 ASN C C 92 175.577 175.577 173.254 2.323 18231 3562 1 7 . 1 1 92 92 ASN CA C 92 52.806 52.806 53.156 -0.350 18231 3563 1 7 . 1 1 92 92 ASN CB C 92 38.795 38.795 39.037 -0.242 18231 3564 1 8 . 1 1 2 2 SER N N 2 118.234 118.234 114.918 3.316 18231 3565 1 8 . 1 1 2 2 SER HA H 2 4.750 4.750 4.748 0.002 18231 3566 1 8 . 1 1 2 2 SER C C 2 178.105 178.105 175.322 2.783 18231 3567 1 8 . 1 1 2 2 SER CA C 2 57.133 57.133 57.513 -0.380 18231 3568 1 8 . 1 1 2 2 SER CB C 2 64.624 64.624 66.160 -1.536 18231 3569 1 8 . 1 1 2 2 SER H H 2 9.007 9.007 8.220 0.787 18231 3570 1 8 . 1 1 3 3 GLU N N 3 123.466 123.466 122.245 1.221 18231 3571 1 8 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.027 0.112 18231 3572 1 8 . 1 1 3 3 GLU C C 3 173.854 173.854 178.490 -4.636 18231 3573 1 8 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.885 1.225 18231 3574 1 8 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.602 -0.702 18231 3575 1 8 . 1 1 3 3 GLU H H 3 9.436 9.436 8.996 0.440 18231 3576 1 8 . 1 1 4 4 LEU N N 4 119.878 119.878 120.586 -0.708 18231 3577 1 8 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.032 0.054 18231 3578 1 8 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.603 0.306 18231 3579 1 8 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.694 -0.289 18231 3580 1 8 . 1 1 4 4 LEU H H 4 8.891 8.891 7.978 0.913 18231 3581 1 8 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.057 -0.046 18231 3582 1 8 . 1 1 5 5 GLU C C 5 173.709 173.709 178.996 -5.287 18231 3583 1 8 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.204 0.392 18231 3584 1 8 . 1 1 5 5 GLU CB C 5 29.055 29.055 28.990 0.065 18231 3585 1 8 . 1 1 6 6 THR N N 6 116.614 116.614 116.143 0.471 18231 3586 1 8 . 1 1 6 6 THR HA H 6 4.019 4.019 4.047 -0.028 18231 3587 1 8 . 1 1 6 6 THR C C 6 176.965 176.965 176.350 0.615 18231 3588 1 8 . 1 1 6 6 THR CA C 6 66.175 66.175 66.296 -0.121 18231 3589 1 8 . 1 1 6 6 THR CB C 6 68.280 68.280 68.455 -0.175 18231 3590 1 8 . 1 1 6 6 THR H H 6 8.316 8.316 7.406 0.910 18231 3591 1 8 . 1 1 7 7 ALA N N 7 126.118 126.118 124.887 1.231 18231 3592 1 8 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.134 0.002 18231 3593 1 8 . 1 1 7 7 ALA C C 7 173.544 173.544 179.608 -6.064 18231 3594 1 8 . 1 1 7 7 ALA CA C 7 54.838 54.838 55.033 -0.195 18231 3595 1 8 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.184 -0.734 18231 3596 1 8 . 1 1 7 7 ALA H H 7 8.167 8.167 7.566 0.601 18231 3597 1 8 . 1 1 8 8 MET N N 8 117.610 117.610 116.796 0.814 18231 3598 1 8 . 1 1 8 8 MET HA H 8 4.174 4.174 4.063 0.111 18231 3599 1 8 . 1 1 8 8 MET C C 8 175.513 175.513 178.728 -3.215 18231 3600 1 8 . 1 1 8 8 MET CA C 8 61.988 61.988 59.522 2.466 18231 3601 1 8 . 1 1 8 8 MET CB C 8 26.277 26.277 32.475 -6.198 18231 3602 1 8 . 1 1 8 8 MET H H 8 8.286 8.286 7.610 0.676 18231 3603 1 8 . 1 1 9 9 GLU N N 9 117.751 117.751 118.557 -0.806 18231 3604 1 8 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.165 -0.245 18231 3605 1 8 . 1 1 9 9 GLU C C 9 174.479 174.479 179.048 -4.569 18231 3606 1 8 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.250 0.169 18231 3607 1 8 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.269 -0.255 18231 3608 1 8 . 1 1 9 9 GLU H H 9 8.055 8.055 7.808 0.247 18231 3609 1 8 . 1 1 10 10 THR N N 10 117.936 117.936 114.836 3.100 18231 3610 1 8 . 1 1 10 10 THR HA H 10 4.083 4.083 4.079 0.004 18231 3611 1 8 . 1 1 10 10 THR C C 10 177.781 177.781 176.973 0.808 18231 3612 1 8 . 1 1 10 10 THR CA C 10 66.869 66.869 66.354 0.515 18231 3613 1 8 . 1 1 10 10 THR CB C 10 67.663 67.663 68.678 -1.015 18231 3614 1 8 . 1 1 10 10 THR H H 10 8.398 8.398 8.305 0.094 18231 3615 1 8 . 1 1 11 11 LEU N N 11 119.632 119.632 121.526 -1.894 18231 3616 1 8 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.272 -0.316 18231 3617 1 8 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.344 0.524 18231 3618 1 8 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.130 0.467 18231 3619 1 8 . 1 1 11 11 LEU H H 11 8.134 8.134 7.567 0.567 18231 3620 1 8 . 1 1 12 12 ILE N N 12 119.532 119.532 120.398 -0.866 18231 3621 1 8 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.465 0.503 18231 3622 1 8 . 1 1 12 12 ILE C C 12 175.378 175.378 178.223 -2.845 18231 3623 1 8 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.758 -0.386 18231 3624 1 8 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.485 1.447 18231 3625 1 8 . 1 1 12 12 ILE H H 12 7.751 7.751 7.753 -0.002 18231 3626 1 8 . 1 1 13 13 ASN N N 13 121.617 121.617 118.516 3.101 18231 3627 1 8 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.480 0.047 18231 3628 1 8 . 1 1 13 13 ASN C C 13 174.457 174.457 177.703 -3.246 18231 3629 1 8 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.283 -0.223 18231 3630 1 8 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.231 -0.574 18231 3631 1 8 . 1 1 13 13 ASN H H 13 9.012 9.012 8.418 0.594 18231 3632 1 8 . 1 1 14 14 VAL N N 14 120.538 120.538 119.448 1.090 18231 3633 1 8 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.457 0.358 18231 3634 1 8 . 1 1 14 14 VAL C C 14 176.194 176.194 177.752 -1.558 18231 3635 1 8 . 1 1 14 14 VAL CA C 14 66.080 66.080 66.744 -0.664 18231 3636 1 8 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.186 0.385 18231 3637 1 8 . 1 1 14 14 VAL H H 14 8.951 8.951 8.262 0.689 18231 3638 1 8 . 1 1 15 15 PHE N N 15 117.397 117.397 121.506 -4.109 18231 3639 1 8 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.088 -0.619 18231 3640 1 8 . 1 1 15 15 PHE C C 15 176.028 176.028 177.243 -1.215 18231 3641 1 8 . 1 1 15 15 PHE CA C 15 62.163 62.163 61.902 0.261 18231 3642 1 8 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.132 -0.197 18231 3643 1 8 . 1 1 15 15 PHE H H 15 6.953 6.953 8.871 -1.918 18231 3644 1 8 . 1 1 16 16 HIS N N 16 115.032 115.032 120.993 -5.961 18231 3645 1 8 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.201 0.635 18231 3646 1 8 . 1 1 16 16 HIS C C 16 176.028 176.028 177.310 -1.282 18231 3647 1 8 . 1 1 16 16 HIS CA C 16 58.017 58.017 58.337 -0.320 18231 3648 1 8 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.486 -1.205 18231 3649 1 8 . 1 1 16 16 HIS H H 16 7.736 7.736 8.759 -1.023 18231 3650 1 8 . 1 1 17 17 ALA N N 17 123.252 123.252 121.075 2.177 18231 3651 1 8 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.641 0.407 18231 3652 1 8 . 1 1 17 17 ALA C C 17 174.507 174.507 179.813 -5.306 18231 3653 1 8 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.852 -1.157 18231 3654 1 8 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.919 -0.565 18231 3655 1 8 . 1 1 17 17 ALA H H 17 8.070 8.070 7.992 0.078 18231 3656 1 8 . 1 1 18 18 HIS N N 18 113.812 113.812 117.243 -3.431 18231 3657 1 8 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.143 0.247 18231 3658 1 8 . 1 1 18 18 HIS C C 18 177.747 177.747 177.832 -0.085 18231 3659 1 8 . 1 1 18 18 HIS CA C 18 56.935 56.935 58.166 -1.231 18231 3660 1 8 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.872 2.268 18231 3661 1 8 . 1 1 18 18 HIS H H 18 7.043 7.043 8.156 -1.113 18231 3662 1 8 . 1 1 19 19 SER N N 19 113.634 113.634 114.641 -1.007 18231 3663 1 8 . 1 1 19 19 SER HA H 19 3.673 3.673 3.848 -0.175 18231 3664 1 8 . 1 1 19 19 SER C C 19 176.511 176.511 176.397 0.114 18231 3665 1 8 . 1 1 19 19 SER CA C 19 60.926 60.926 60.631 0.295 18231 3666 1 8 . 1 1 19 19 SER CB C 19 60.919 60.919 62.652 -1.733 18231 3667 1 8 . 1 1 19 19 SER H H 19 8.489 8.489 8.089 0.400 18231 3668 1 8 . 1 1 20 20 GLY N N 20 111.572 111.572 108.214 3.358 18231 3669 1 8 . 1 1 20 20 GLY C C 20 179.798 179.798 175.823 3.975 18231 3670 1 8 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.257 -1.165 18231 3671 1 8 . 1 1 20 20 GLY H H 20 7.734 7.734 8.122 -0.388 18231 3672 1 8 . 1 1 21 21 LYS N N 21 122.204 122.204 121.961 0.243 18231 3673 1 8 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.069 -0.145 18231 3674 1 8 . 1 1 21 21 LYS C C 21 176.162 176.162 178.109 -1.947 18231 3675 1 8 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.652 0.444 18231 3676 1 8 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.435 -0.535 18231 3677 1 8 . 1 1 21 21 LYS H H 21 7.196 7.196 7.648 -0.452 18231 3678 1 8 . 1 1 22 22 GLU N N 22 115.840 115.840 116.504 -0.664 18231 3679 1 8 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.262 0.405 18231 3680 1 8 . 1 1 22 22 GLU C C 22 176.511 176.511 176.828 -0.317 18231 3681 1 8 . 1 1 22 22 GLU CA C 22 53.781 53.781 56.108 -2.328 18231 3682 1 8 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.362 3.279 18231 3683 1 8 . 1 1 22 22 GLU H H 22 9.363 9.363 7.837 1.526 18231 3684 1 8 . 1 1 23 23 GLY N N 23 111.558 111.558 108.890 2.668 18231 3685 1 8 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.150 0.350 18231 3686 1 8 . 1 1 23 23 GLY H H 23 7.710 7.710 8.060 -0.350 18231 3687 1 8 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.667 -0.259 18231 3688 1 8 . 1 1 24 24 ASP C C 24 173.495 173.495 177.237 -3.742 18231 3689 1 8 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.111 0.606 18231 3690 1 8 . 1 1 24 24 ASP CB C 24 42.060 42.060 40.479 1.581 18231 3691 1 8 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.857 0.430 18231 3692 1 8 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.141 -1.612 18231 3693 1 8 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.205 -1.296 18231 3694 1 8 . 1 1 26 26 TYR N N 26 119.467 119.467 114.135 5.332 18231 3695 1 8 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.875 -0.164 18231 3696 1 8 . 1 1 26 26 TYR C C 26 179.682 179.682 174.668 5.014 18231 3697 1 8 . 1 1 26 26 TYR CA C 26 55.824 55.824 55.457 0.367 18231 3698 1 8 . 1 1 26 26 TYR CB C 26 37.671 37.671 37.921 -0.250 18231 3699 1 8 . 1 1 26 26 TYR H H 26 9.377 9.377 7.671 1.706 18231 3700 1 8 . 1 1 27 27 LYS N N 27 114.770 114.770 120.502 -5.732 18231 3701 1 8 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.791 0.331 18231 3702 1 8 . 1 1 27 27 LYS C C 27 178.721 178.721 175.101 3.620 18231 3703 1 8 . 1 1 27 27 LYS CA C 27 54.727 54.727 55.015 -0.288 18231 3704 1 8 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.696 2.793 18231 3705 1 8 . 1 1 27 27 LYS H H 27 7.100 7.100 7.153 -0.053 18231 3706 1 8 . 1 1 28 28 LEU N N 28 125.858 125.858 128.026 -2.168 18231 3707 1 8 . 1 1 28 28 LEU HA H 28 5.183 5.183 5.067 0.116 18231 3708 1 8 . 1 1 28 28 LEU C C 28 177.490 177.490 176.220 1.270 18231 3709 1 8 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.547 -1.214 18231 3710 1 8 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.690 -2.104 18231 3711 1 8 . 1 1 28 28 LEU H H 28 9.750 9.750 8.122 1.628 18231 3712 1 8 . 1 1 29 29 SER N N 29 120.926 120.926 118.010 2.916 18231 3713 1 8 . 1 1 29 29 SER HA H 29 4.560 4.560 4.532 0.028 18231 3714 1 8 . 1 1 29 29 SER C C 29 178.943 178.943 175.479 3.464 18231 3715 1 8 . 1 1 29 29 SER CA C 29 55.907 55.907 56.736 -0.829 18231 3716 1 8 . 1 1 29 29 SER CB C 29 65.035 65.035 65.397 -0.362 18231 3717 1 8 . 1 1 29 29 SER H H 29 9.907 9.907 8.764 1.143 18231 3718 1 8 . 1 1 30 30 LYS N N 30 120.263 120.263 122.956 -2.693 18231 3719 1 8 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.939 -0.088 18231 3720 1 8 . 1 1 30 30 LYS C C 30 175.519 175.519 178.606 -3.087 18231 3721 1 8 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.573 0.087 18231 3722 1 8 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.367 -0.629 18231 3723 1 8 . 1 1 30 30 LYS H H 30 8.838 8.838 8.932 -0.094 18231 3724 1 8 . 1 1 31 31 LYS N N 31 118.292 118.292 118.206 0.086 18231 3725 1 8 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.021 -0.099 18231 3726 1 8 . 1 1 31 31 LYS C C 31 174.664 174.664 179.280 -4.616 18231 3727 1 8 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.339 -0.041 18231 3728 1 8 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.239 0.427 18231 3729 1 8 . 1 1 31 31 LYS H H 31 7.903 7.903 7.851 0.052 18231 3730 1 8 . 1 1 32 32 GLU N N 32 119.243 119.243 119.174 0.069 18231 3731 1 8 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.235 -0.328 18231 3732 1 8 . 1 1 32 32 GLU C C 32 174.836 174.836 179.272 -4.436 18231 3733 1 8 . 1 1 32 32 GLU CA C 32 58.316 58.316 58.997 -0.681 18231 3734 1 8 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.806 1.071 18231 3735 1 8 . 1 1 32 32 GLU H H 32 7.499 7.499 7.770 -0.271 18231 3736 1 8 . 1 1 33 33 LEU N N 33 119.432 119.432 119.582 -0.150 18231 3737 1 8 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.108 -0.190 18231 3738 1 8 . 1 1 33 33 LEU C C 33 175.740 175.740 178.209 -2.469 18231 3739 1 8 . 1 1 33 33 LEU CA C 33 57.269 57.269 58.468 -1.200 18231 3740 1 8 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.812 -0.831 18231 3741 1 8 . 1 1 33 33 LEU H H 33 9.062 9.062 8.283 0.779 18231 3742 1 8 . 1 1 34 34 LYS N N 34 119.090 119.090 120.162 -1.072 18231 3743 1 8 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.888 -0.234 18231 3744 1 8 . 1 1 34 34 LYS C C 34 175.916 175.916 178.698 -2.782 18231 3745 1 8 . 1 1 34 34 LYS CA C 34 60.284 60.284 59.993 0.291 18231 3746 1 8 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.105 -0.705 18231 3747 1 8 . 1 1 34 34 LYS H H 34 8.236 8.236 8.019 0.217 18231 3748 1 8 . 1 1 35 35 GLU N N 35 117.482 117.482 118.720 -1.238 18231 3749 1 8 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.050 -0.053 18231 3750 1 8 . 1 1 35 35 GLU C C 35 174.549 174.549 178.718 -4.169 18231 3751 1 8 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.212 0.017 18231 3752 1 8 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.408 -0.575 18231 3753 1 8 . 1 1 35 35 GLU H H 35 7.734 7.734 7.631 0.103 18231 3754 1 8 . 1 1 36 36 LEU N N 36 124.601 124.601 120.361 4.240 18231 3755 1 8 . 1 1 36 36 LEU HA H 36 2.688 2.688 4.050 -1.362 18231 3756 1 8 . 1 1 36 36 LEU C C 36 174.780 174.780 179.158 -4.378 18231 3757 1 8 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.749 1.578 18231 3758 1 8 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.270 0.365 18231 3759 1 8 . 1 1 36 36 LEU H H 36 8.308 8.308 7.838 0.470 18231 3760 1 8 . 1 1 37 37 LEU N N 37 118.901 118.901 118.884 0.017 18231 3761 1 8 . 1 1 37 37 LEU HA H 37 3.733 3.733 4.060 -0.327 18231 3762 1 8 . 1 1 37 37 LEU C C 37 174.771 174.771 179.668 -4.897 18231 3763 1 8 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.993 -0.080 18231 3764 1 8 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.333 -0.047 18231 3765 1 8 . 1 1 37 37 LEU H H 37 8.663 8.663 8.495 0.168 18231 3766 1 8 . 1 1 38 38 GLN N N 38 114.582 114.582 118.775 -4.193 18231 3767 1 8 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.105 -0.148 18231 3768 1 8 . 1 1 38 38 GLN C C 38 175.747 175.747 177.671 -1.924 18231 3769 1 8 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.976 -0.805 18231 3770 1 8 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.853 -0.224 18231 3771 1 8 . 1 1 38 38 GLN H H 38 8.507 8.507 8.274 0.233 18231 3772 1 8 . 1 1 39 39 THR N N 39 110.227 110.227 112.793 -2.566 18231 3773 1 8 . 1 1 39 39 THR HA H 39 4.252 4.252 3.977 0.275 18231 3774 1 8 . 1 1 39 39 THR C C 39 176.966 176.966 176.314 0.652 18231 3775 1 8 . 1 1 39 39 THR CA C 39 64.485 64.485 64.964 -0.479 18231 3776 1 8 . 1 1 39 39 THR CB C 39 69.254 69.254 68.938 0.316 18231 3777 1 8 . 1 1 39 39 THR H H 39 7.845 7.845 7.947 -0.102 18231 3778 1 8 . 1 1 40 40 GLU N N 40 117.400 117.400 119.127 -1.727 18231 3779 1 8 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.184 -0.034 18231 3780 1 8 . 1 1 40 40 GLU C C 40 177.343 177.343 177.071 0.272 18231 3781 1 8 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.416 -1.847 18231 3782 1 8 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.338 -0.757 18231 3783 1 8 . 1 1 40 40 GLU H H 40 8.460 8.460 8.039 0.421 18231 3784 1 8 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.625 0.402 18231 3785 1 8 . 1 1 41 41 LEU C C 41 176.458 176.458 178.082 -1.624 18231 3786 1 8 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.774 -1.339 18231 3787 1 8 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.955 0.352 18231 3788 1 8 . 1 1 42 42 SER N N 42 116.528 116.528 119.971 -3.443 18231 3789 1 8 . 1 1 42 42 SER HA H 42 4.062 4.062 4.441 -0.379 18231 3790 1 8 . 1 1 42 42 SER CA C 42 61.213 61.213 61.851 -0.638 18231 3791 1 8 . 1 1 42 42 SER CB C 42 62.378 62.378 63.016 -0.638 18231 3792 1 8 . 1 1 42 42 SER H H 42 8.246 8.246 9.087 -0.841 18231 3793 1 8 . 1 1 43 43 GLY N N 43 111.367 111.367 109.480 1.887 18231 3794 1 8 . 1 1 43 43 GLY C C 43 177.750 177.750 176.023 1.727 18231 3795 1 8 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.524 -0.786 18231 3796 1 8 . 1 1 43 43 GLY H H 43 8.850 8.850 8.703 0.147 18231 3797 1 8 . 1 1 44 44 PHE N N 44 122.213 122.213 122.275 -0.062 18231 3798 1 8 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.084 0.279 18231 3799 1 8 . 1 1 44 44 PHE C C 44 176.428 176.428 177.125 -0.697 18231 3800 1 8 . 1 1 44 44 PHE CA C 44 59.513 59.513 60.105 -0.592 18231 3801 1 8 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.090 1.242 18231 3802 1 8 . 1 1 44 44 PHE H H 44 7.936 7.936 8.100 -0.164 18231 3803 1 8 . 1 1 45 45 LEU N N 45 119.395 119.395 120.086 -0.691 18231 3804 1 8 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.217 0.814 18231 3805 1 8 . 1 1 45 45 LEU C C 45 177.212 177.212 178.169 -0.957 18231 3806 1 8 . 1 1 45 45 LEU CA C 45 57.368 57.368 56.997 0.371 18231 3807 1 8 . 1 1 45 45 LEU CB C 45 40.041 40.041 41.032 -0.991 18231 3808 1 8 . 1 1 45 45 LEU H H 45 8.133 8.133 6.376 1.757 18231 3809 1 8 . 1 1 46 46 ASP N N 46 117.384 117.384 117.678 -0.294 18231 3810 1 8 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.494 -0.112 18231 3811 1 8 . 1 1 46 46 ASP C C 46 176.684 176.684 177.260 -0.576 18231 3812 1 8 . 1 1 46 46 ASP CA C 46 55.312 55.312 55.049 0.263 18231 3813 1 8 . 1 1 46 46 ASP CB C 46 40.540 40.540 40.129 0.411 18231 3814 1 8 . 1 1 46 46 ASP H H 46 8.139 8.139 7.934 0.205 18231 3815 1 8 . 1 1 47 47 ALA N N 47 121.052 121.052 122.852 -1.800 18231 3816 1 8 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.027 0.137 18231 3817 1 8 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.682 -2.137 18231 3818 1 8 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.653 -0.304 18231 3819 1 8 . 1 1 47 47 ALA H H 47 7.637 7.637 7.825 -0.188 18231 3820 1 8 . 1 1 48 48 GLN N N 48 116.271 116.271 117.411 -1.140 18231 3821 1 8 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.041 0.099 18231 3822 1 8 . 1 1 48 48 GLN CA C 48 54.979 54.979 57.775 -2.796 18231 3823 1 8 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.846 -0.775 18231 3824 1 8 . 1 1 48 48 GLN H H 48 7.661 7.661 7.981 -0.320 18231 3825 1 8 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.175 -0.046 18231 3826 1 8 . 1 1 49 49 LYS C C 49 177.345 177.345 175.465 1.880 18231 3827 1 8 . 1 1 49 49 LYS CA C 49 56.247 56.247 56.859 -0.612 18231 3828 1 8 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.700 -0.920 18231 3829 1 8 . 1 1 50 50 ASP N N 50 118.526 118.526 122.584 -4.058 18231 3830 1 8 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.376 0.281 18231 3831 1 8 . 1 1 50 50 ASP C C 50 177.422 177.422 177.183 0.239 18231 3832 1 8 . 1 1 50 50 ASP CA C 50 53.834 53.834 55.330 -1.496 18231 3833 1 8 . 1 1 50 50 ASP CB C 50 41.689 41.689 39.680 2.009 18231 3834 1 8 . 1 1 50 50 ASP H H 50 7.975 7.975 8.854 -0.879 18231 3835 1 8 . 1 1 51 51 VAL N N 51 120.868 120.868 118.545 2.323 18231 3836 1 8 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.687 0.293 18231 3837 1 8 . 1 1 51 51 VAL C C 51 177.212 177.212 176.827 0.385 18231 3838 1 8 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.677 -2.328 18231 3839 1 8 . 1 1 51 51 VAL CB C 51 31.736 31.736 31.869 -0.133 18231 3840 1 8 . 1 1 51 51 VAL H H 51 8.225 8.225 7.984 0.241 18231 3841 1 8 . 1 1 52 52 ASP N N 52 121.054 121.054 120.495 0.559 18231 3842 1 8 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.343 0.435 18231 3843 1 8 . 1 1 52 52 ASP C C 52 176.912 176.912 178.008 -1.096 18231 3844 1 8 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.390 -4.001 18231 3845 1 8 . 1 1 52 52 ASP CB C 52 40.072 40.072 40.056 0.016 18231 3846 1 8 . 1 1 52 52 ASP H H 52 8.403 8.403 8.437 -0.034 18231 3847 1 8 . 1 1 53 53 ALA N N 53 123.449 123.449 122.317 1.132 18231 3848 1 8 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.069 -0.132 18231 3849 1 8 . 1 1 53 53 ALA C C 53 174.124 174.124 179.484 -5.360 18231 3850 1 8 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.840 0.123 18231 3851 1 8 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.329 0.544 18231 3852 1 8 . 1 1 53 53 ALA H H 53 7.757 7.757 7.898 -0.141 18231 3853 1 8 . 1 1 54 54 VAL N N 54 116.105 116.105 119.010 -2.905 18231 3854 1 8 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.606 -0.148 18231 3855 1 8 . 1 1 54 54 VAL C C 54 176.953 176.953 177.756 -0.803 18231 3856 1 8 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.832 -0.937 18231 3857 1 8 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.244 -0.664 18231 3858 1 8 . 1 1 54 54 VAL H H 54 8.281 8.281 8.004 0.277 18231 3859 1 8 . 1 1 55 55 ASP N N 55 120.466 120.466 120.017 0.449 18231 3860 1 8 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.333 -0.168 18231 3861 1 8 . 1 1 55 55 ASP C C 55 174.997 174.997 178.277 -3.280 18231 3862 1 8 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.396 -0.196 18231 3863 1 8 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.482 0.038 18231 3864 1 8 . 1 1 55 55 ASP H H 55 7.667 7.667 8.215 -0.548 18231 3865 1 8 . 1 1 56 56 LYS N N 56 119.065 119.065 119.468 -0.403 18231 3866 1 8 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.034 -0.055 18231 3867 1 8 . 1 1 56 56 LYS C C 56 174.602 174.602 179.340 -4.738 18231 3868 1 8 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.450 -0.905 18231 3869 1 8 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.544 -0.944 18231 3870 1 8 . 1 1 56 56 LYS H H 56 7.628 7.628 7.353 0.275 18231 3871 1 8 . 1 1 57 57 VAL N N 57 119.756 119.756 119.841 -0.085 18231 3872 1 8 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.638 0.089 18231 3873 1 8 . 1 1 57 57 VAL C C 57 175.782 175.782 177.893 -2.111 18231 3874 1 8 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.353 -0.754 18231 3875 1 8 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.911 -0.664 18231 3876 1 8 . 1 1 57 57 VAL H H 57 7.920 7.920 8.127 -0.207 18231 3877 1 8 . 1 1 58 58 MET N N 58 118.541 118.541 119.457 -0.916 18231 3878 1 8 . 1 1 58 58 MET HA H 58 3.936 3.936 4.088 -0.152 18231 3879 1 8 . 1 1 58 58 MET C C 58 176.330 176.330 177.603 -1.273 18231 3880 1 8 . 1 1 58 58 MET CA C 58 58.620 58.620 59.229 -0.609 18231 3881 1 8 . 1 1 58 58 MET CB C 58 32.002 32.002 32.476 -0.474 18231 3882 1 8 . 1 1 58 58 MET H H 58 8.426 8.426 8.370 0.056 18231 3883 1 8 . 1 1 59 59 LYS N N 59 116.084 116.084 117.489 -1.405 18231 3884 1 8 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.955 -0.019 18231 3885 1 8 . 1 1 59 59 LYS C C 59 176.918 176.918 178.118 -1.200 18231 3886 1 8 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.385 -0.711 18231 3887 1 8 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.072 0.530 18231 3888 1 8 . 1 1 59 59 LYS H H 59 7.623 7.623 7.904 -0.281 18231 3889 1 8 . 1 1 60 60 GLU N N 60 117.227 117.227 117.912 -0.685 18231 3890 1 8 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.133 -0.078 18231 3891 1 8 . 1 1 60 60 GLU C C 60 175.146 175.146 178.374 -3.228 18231 3892 1 8 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.315 -0.284 18231 3893 1 8 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.391 -0.076 18231 3894 1 8 . 1 1 60 60 GLU H H 60 7.592 7.592 7.645 -0.053 18231 3895 1 8 . 1 1 61 61 LEU N N 61 116.051 116.051 117.641 -1.590 18231 3896 1 8 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.156 0.207 18231 3897 1 8 . 1 1 61 61 LEU CA C 61 54.859 54.859 57.001 -2.142 18231 3898 1 8 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.278 1.299 18231 3899 1 8 . 1 1 61 61 LEU H H 61 8.045 8.045 7.382 0.663 18231 3900 1 8 . 1 1 62 62 ASP N N 62 116.891 116.891 117.780 -0.889 18231 3901 1 8 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.800 -0.100 18231 3902 1 8 . 1 1 62 62 ASP C C 62 176.806 176.806 176.544 0.262 18231 3903 1 8 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.855 -0.739 18231 3904 1 8 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.032 -1.381 18231 3905 1 8 . 1 1 62 62 ASP H H 62 8.008 8.008 8.252 -0.244 18231 3906 1 8 . 1 1 63 63 GLU N N 63 129.185 129.185 126.037 3.148 18231 3907 1 8 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.086 -0.032 18231 3908 1 8 . 1 1 63 63 GLU C C 63 175.826 175.826 177.506 -1.680 18231 3909 1 8 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.734 -0.416 18231 3910 1 8 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.992 0.226 18231 3911 1 8 . 1 1 63 63 GLU H H 63 8.347 8.347 8.412 -0.065 18231 3912 1 8 . 1 1 64 64 ASN N N 64 112.618 112.618 114.870 -2.252 18231 3913 1 8 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.702 0.046 18231 3914 1 8 . 1 1 64 64 ASN C C 64 176.855 176.855 176.006 0.849 18231 3915 1 8 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.495 -0.869 18231 3916 1 8 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.290 -1.417 18231 3917 1 8 . 1 1 64 64 ASN H H 64 7.978 7.978 7.867 0.111 18231 3918 1 8 . 1 1 65 65 GLY N N 65 109.111 109.111 108.478 0.633 18231 3919 1 8 . 1 1 65 65 GLY C C 65 178.426 178.426 175.062 3.364 18231 3920 1 8 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.172 0.867 18231 3921 1 8 . 1 1 65 65 GLY H H 65 7.543 7.543 7.774 -0.231 18231 3922 1 8 . 1 1 66 66 ASP N N 66 119.205 119.205 120.089 -0.884 18231 3923 1 8 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.410 0.131 18231 3924 1 8 . 1 1 66 66 ASP C C 66 176.015 176.015 177.859 -1.844 18231 3925 1 8 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.544 -1.705 18231 3926 1 8 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.941 -1.065 18231 3927 1 8 . 1 1 66 66 ASP H H 66 8.113 8.113 8.582 -0.469 18231 3928 1 8 . 1 1 67 67 GLY N N 67 113.254 113.254 108.678 4.576 18231 3929 1 8 . 1 1 67 67 GLY C C 67 180.780 180.780 173.937 6.843 18231 3930 1 8 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.998 0.215 18231 3931 1 8 . 1 1 67 67 GLY H H 67 10.267 10.267 8.970 1.297 18231 3932 1 8 . 1 1 68 68 GLU N N 68 116.975 116.975 118.737 -1.762 18231 3933 1 8 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.636 0.174 18231 3934 1 8 . 1 1 68 68 GLU C C 68 178.130 178.130 174.669 3.461 18231 3935 1 8 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.561 -0.431 18231 3936 1 8 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.173 2.579 18231 3937 1 8 . 1 1 68 68 GLU H H 68 7.714 7.714 8.802 -1.088 18231 3938 1 8 . 1 1 69 69 VAL N N 69 125.146 125.146 120.146 5.000 18231 3939 1 8 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.970 0.279 18231 3940 1 8 . 1 1 69 69 VAL C C 69 177.413 177.413 175.075 2.338 18231 3941 1 8 . 1 1 69 69 VAL CA C 69 60.702 60.702 60.743 -0.041 18231 3942 1 8 . 1 1 69 69 VAL CB C 69 33.487 33.487 32.970 0.517 18231 3943 1 8 . 1 1 69 69 VAL H H 69 9.389 9.389 7.855 1.534 18231 3944 1 8 . 1 1 70 70 ASP N N 70 129.202 129.202 124.552 4.650 18231 3945 1 8 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.123 0.046 18231 3946 1 8 . 1 1 70 70 ASP C C 70 178.332 178.332 176.697 1.635 18231 3947 1 8 . 1 1 70 70 ASP CA C 70 52.145 52.145 52.020 0.125 18231 3948 1 8 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.263 -3.166 18231 3949 1 8 . 1 1 70 70 ASP H H 70 9.109 9.109 8.723 0.386 18231 3950 1 8 . 1 1 71 71 PHE N N 71 118.298 118.298 122.757 -4.459 18231 3951 1 8 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.577 -0.650 18231 3952 1 8 . 1 1 71 71 PHE C C 71 176.763 176.763 176.809 -0.046 18231 3953 1 8 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.369 1.682 18231 3954 1 8 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.981 0.008 18231 3955 1 8 . 1 1 71 71 PHE H H 71 8.938 8.938 9.191 -0.253 18231 3956 1 8 . 1 1 72 72 GLN N N 72 116.762 116.762 116.804 -0.042 18231 3957 1 8 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.679 0.015 18231 3958 1 8 . 1 1 72 72 GLN C C 72 175.208 175.208 178.413 -3.205 18231 3959 1 8 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.251 -0.032 18231 3960 1 8 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.281 -0.475 18231 3961 1 8 . 1 1 72 72 GLN H H 72 7.997 7.997 8.512 -0.515 18231 3962 1 8 . 1 1 73 73 GLU N N 73 120.146 120.146 120.330 -0.184 18231 3963 1 8 . 1 1 73 73 GLU HA H 73 4.096 4.096 4.022 0.074 18231 3964 1 8 . 1 1 73 73 GLU C C 73 174.746 174.746 178.724 -3.978 18231 3965 1 8 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.393 -1.289 18231 3966 1 8 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.524 0.322 18231 3967 1 8 . 1 1 73 73 GLU H H 73 8.289 8.289 7.571 0.718 18231 3968 1 8 . 1 1 74 74 TYR N N 74 121.506 121.506 121.574 -0.068 18231 3969 1 8 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.177 -0.064 18231 3970 1 8 . 1 1 74 74 TYR C C 74 176.925 176.925 177.646 -0.721 18231 3971 1 8 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.518 -2.417 18231 3972 1 8 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.792 -1.420 18231 3973 1 8 . 1 1 74 74 TYR H H 74 8.324 8.324 8.480 -0.156 18231 3974 1 8 . 1 1 75 75 VAL N N 75 120.725 120.725 116.197 4.528 18231 3975 1 8 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.420 -0.547 18231 3976 1 8 . 1 1 75 75 VAL C C 75 176.738 176.738 177.646 -0.908 18231 3977 1 8 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.263 -0.383 18231 3978 1 8 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.431 0.569 18231 3979 1 8 . 1 1 75 75 VAL H H 75 8.074 8.074 8.179 -0.105 18231 3980 1 8 . 1 1 76 76 VAL N N 76 120.118 120.118 121.246 -1.128 18231 3981 1 8 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.599 -0.179 18231 3982 1 8 . 1 1 76 76 VAL C C 76 174.620 174.620 178.344 -3.724 18231 3983 1 8 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.255 0.154 18231 3984 1 8 . 1 1 76 76 VAL CB C 76 30.776 30.776 30.692 0.084 18231 3985 1 8 . 1 1 76 76 VAL H H 76 7.119 7.119 7.178 -0.059 18231 3986 1 8 . 1 1 77 77 LEU N N 77 120.709 120.709 120.960 -0.251 18231 3987 1 8 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.049 -0.019 18231 3988 1 8 . 1 1 77 77 LEU C C 77 175.943 175.943 178.835 -2.892 18231 3989 1 8 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.204 -1.264 18231 3990 1 8 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.823 -0.715 18231 3991 1 8 . 1 1 77 77 LEU H H 77 6.865 6.865 8.007 -1.142 18231 3992 1 8 . 1 1 78 78 VAL N N 78 116.930 116.930 116.210 0.720 18231 3993 1 8 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.548 -0.408 18231 3994 1 8 . 1 1 78 78 VAL C C 78 174.150 174.150 177.369 -3.219 18231 3995 1 8 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.344 1.034 18231 3996 1 8 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.188 0.041 18231 3997 1 8 . 1 1 78 78 VAL H H 78 7.539 7.539 8.068 -0.529 18231 3998 1 8 . 1 1 79 79 ALA N N 79 124.551 124.551 123.146 1.405 18231 3999 1 8 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.921 -0.229 18231 4000 1 8 . 1 1 79 79 ALA C C 79 175.111 175.111 179.194 -4.083 18231 4001 1 8 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.245 0.247 18231 4002 1 8 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.975 -0.512 18231 4003 1 8 . 1 1 79 79 ALA H H 79 8.918 8.918 8.227 0.691 18231 4004 1 8 . 1 1 80 80 ALA N N 80 120.223 120.223 121.095 -0.872 18231 4005 1 8 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.133 -0.068 18231 4006 1 8 . 1 1 80 80 ALA C C 80 171.473 171.473 179.348 -7.875 18231 4007 1 8 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.600 0.326 18231 4008 1 8 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.437 -1.011 18231 4009 1 8 . 1 1 80 80 ALA H H 80 7.760 7.760 7.686 0.074 18231 4010 1 8 . 1 1 81 81 LEU N N 81 119.090 119.090 119.685 -0.595 18231 4011 1 8 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.034 0.054 18231 4012 1 8 . 1 1 81 81 LEU C C 81 174.008 174.008 178.707 -4.699 18231 4013 1 8 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.760 -0.103 18231 4014 1 8 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.681 0.550 18231 4015 1 8 . 1 1 81 81 LEU H H 81 8.542 8.542 8.181 0.361 18231 4016 1 8 . 1 1 82 82 THR N N 82 119.585 119.585 114.054 5.531 18231 4017 1 8 . 1 1 82 82 THR HA H 82 4.332 4.332 4.031 0.301 18231 4018 1 8 . 1 1 82 82 THR C C 82 176.758 176.758 176.585 0.173 18231 4019 1 8 . 1 1 82 82 THR CA C 82 67.286 67.286 65.633 1.653 18231 4020 1 8 . 1 1 82 82 THR CB C 82 68.127 68.127 68.541 -0.414 18231 4021 1 8 . 1 1 82 82 THR H H 82 8.421 8.421 8.128 0.293 18231 4022 1 8 . 1 1 83 83 VAL N N 83 121.934 121.934 120.693 1.241 18231 4023 1 8 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.754 -0.039 18231 4024 1 8 . 1 1 83 83 VAL C C 83 175.556 175.556 177.815 -2.259 18231 4025 1 8 . 1 1 83 83 VAL CA C 83 66.903 66.903 65.308 1.595 18231 4026 1 8 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.026 0.520 18231 4027 1 8 . 1 1 83 83 VAL H H 83 8.077 8.077 7.404 0.673 18231 4028 1 8 . 1 1 84 84 ALA N N 84 121.367 121.367 122.481 -1.114 18231 4029 1 8 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.115 0.086 18231 4030 1 8 . 1 1 84 84 ALA C C 84 173.936 173.936 179.536 -5.600 18231 4031 1 8 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.202 0.078 18231 4032 1 8 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.914 -0.307 18231 4033 1 8 . 1 1 84 84 ALA H H 84 7.835 7.835 8.265 -0.430 18231 4034 1 8 . 1 1 85 85 CYS N N 85 116.731 116.731 116.430 0.301 18231 4035 1 8 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.058 0.179 18231 4036 1 8 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.700 -8.049 18231 4037 1 8 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.261 11.709 18231 4038 1 8 . 1 1 85 85 CYS H H 85 8.244 8.244 8.000 0.245 18231 4039 1 8 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.536 -0.153 18231 4040 1 8 . 1 1 86 86 ASN CA C 86 54.979 54.979 55.961 -0.982 18231 4041 1 8 . 1 1 86 86 ASN CB C 86 40.491 40.491 37.783 2.708 18231 4042 1 8 . 1 1 87 87 ASN N N 87 120.372 120.372 119.511 0.861 18231 4043 1 8 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.742 -0.345 18231 4044 1 8 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.289 -1.320 18231 4045 1 8 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.789 -1.401 18231 4046 1 8 . 1 1 87 87 ASN H H 87 7.539 7.539 7.643 -0.104 18231 4047 1 8 . 1 1 88 88 PHE N N 88 118.684 118.684 120.790 -2.106 18231 4048 1 8 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.191 0.181 18231 4049 1 8 . 1 1 88 88 PHE C C 88 177.050 177.050 177.052 -0.002 18231 4050 1 8 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.804 -2.431 18231 4051 1 8 . 1 1 88 88 PHE CB C 88 39.019 39.019 39.044 -0.025 18231 4052 1 8 . 1 1 88 88 PHE H H 88 7.862 7.862 8.536 -0.674 18231 4053 1 8 . 1 1 89 89 PHE N N 89 118.515 118.515 119.814 -1.299 18231 4054 1 8 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.058 0.230 18231 4055 1 8 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.758 -2.500 18231 4056 1 8 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.713 0.519 18231 4057 1 8 . 1 1 89 89 PHE H H 89 7.898 7.898 7.728 0.170 18231 4058 1 8 . 1 1 90 90 TRP N N 90 118.964 118.964 115.961 3.003 18231 4059 1 8 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.293 0.192 18231 4060 1 8 . 1 1 90 90 TRP C C 90 174.481 174.481 177.879 -3.398 18231 4061 1 8 . 1 1 90 90 TRP CA C 90 57.371 57.371 58.835 -1.464 18231 4062 1 8 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.270 0.006 18231 4063 1 8 . 1 1 90 90 TRP H H 90 7.773 7.773 7.406 0.367 18231 4064 1 8 . 1 1 91 91 GLU N N 91 120.150 120.150 115.209 4.941 18231 4065 1 8 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.065 -0.008 18231 4066 1 8 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.530 0.447 18231 4067 1 8 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.648 0.446 18231 4068 1 8 . 1 1 91 91 GLU H H 91 7.812 7.812 7.527 0.285 18231 4069 1 8 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.537 0.131 18231 4070 1 8 . 1 1 92 92 ASN C C 92 175.577 175.577 174.370 1.207 18231 4071 1 8 . 1 1 92 92 ASN CA C 92 52.806 52.806 51.944 0.862 18231 4072 1 8 . 1 1 92 92 ASN CB C 92 38.795 38.795 38.964 -0.169 18231 4073 1 9 . 1 1 2 2 SER N N 2 118.234 118.234 115.972 2.262 18231 4074 1 9 . 1 1 2 2 SER HA H 2 4.750 4.750 4.507 0.243 18231 4075 1 9 . 1 1 2 2 SER C C 2 178.105 178.105 175.901 2.204 18231 4076 1 9 . 1 1 2 2 SER CA C 2 57.133 57.133 58.055 -0.922 18231 4077 1 9 . 1 1 2 2 SER CB C 2 64.624 64.624 64.854 -0.230 18231 4078 1 9 . 1 1 2 2 SER H H 2 9.007 9.007 8.254 0.753 18231 4079 1 9 . 1 1 3 3 GLU N N 3 123.466 123.466 122.287 1.179 18231 4080 1 9 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.081 0.058 18231 4081 1 9 . 1 1 3 3 GLU C C 3 173.854 173.854 179.010 -5.156 18231 4082 1 9 . 1 1 3 3 GLU CA C 3 60.110 60.110 59.083 1.027 18231 4083 1 9 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.628 -0.728 18231 4084 1 9 . 1 1 3 3 GLU H H 3 9.436 9.436 8.854 0.582 18231 4085 1 9 . 1 1 4 4 LEU N N 4 119.878 119.878 118.724 1.154 18231 4086 1 9 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.021 0.065 18231 4087 1 9 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.508 0.401 18231 4088 1 9 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.220 0.185 18231 4089 1 9 . 1 1 4 4 LEU H H 4 8.891 8.891 8.150 0.741 18231 4090 1 9 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.120 -0.109 18231 4091 1 9 . 1 1 5 5 GLU C C 5 173.709 173.709 179.016 -5.307 18231 4092 1 9 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.227 0.369 18231 4093 1 9 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.013 0.042 18231 4094 1 9 . 1 1 6 6 THR N N 6 116.614 116.614 116.772 -0.158 18231 4095 1 9 . 1 1 6 6 THR HA H 6 4.019 4.019 4.086 -0.067 18231 4096 1 9 . 1 1 6 6 THR C C 6 176.965 176.965 176.126 0.839 18231 4097 1 9 . 1 1 6 6 THR CA C 6 66.175 66.175 66.288 -0.113 18231 4098 1 9 . 1 1 6 6 THR CB C 6 68.280 68.280 68.273 0.007 18231 4099 1 9 . 1 1 6 6 THR H H 6 8.316 8.316 7.561 0.755 18231 4100 1 9 . 1 1 7 7 ALA N N 7 126.118 126.118 124.858 1.260 18231 4101 1 9 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.129 0.007 18231 4102 1 9 . 1 1 7 7 ALA C C 7 173.544 173.544 179.340 -5.796 18231 4103 1 9 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.968 -0.130 18231 4104 1 9 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.253 -0.803 18231 4105 1 9 . 1 1 7 7 ALA H H 7 8.167 8.167 7.564 0.603 18231 4106 1 9 . 1 1 8 8 MET N N 8 117.610 117.610 116.941 0.669 18231 4107 1 9 . 1 1 8 8 MET HA H 8 4.174 4.174 4.047 0.127 18231 4108 1 9 . 1 1 8 8 MET C C 8 175.513 175.513 178.749 -3.236 18231 4109 1 9 . 1 1 8 8 MET CA C 8 61.988 61.988 59.422 2.566 18231 4110 1 9 . 1 1 8 8 MET CB C 8 26.277 26.277 32.580 -6.303 18231 4111 1 9 . 1 1 8 8 MET H H 8 8.286 8.286 7.557 0.729 18231 4112 1 9 . 1 1 9 9 GLU N N 9 117.751 117.751 118.898 -1.147 18231 4113 1 9 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.022 -0.102 18231 4114 1 9 . 1 1 9 9 GLU C C 9 174.479 174.479 179.119 -4.640 18231 4115 1 9 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.476 -0.057 18231 4116 1 9 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.619 -0.605 18231 4117 1 9 . 1 1 9 9 GLU H H 9 8.055 8.055 7.820 0.235 18231 4118 1 9 . 1 1 10 10 THR N N 10 117.936 117.936 115.471 2.465 18231 4119 1 9 . 1 1 10 10 THR HA H 10 4.083 4.083 4.092 -0.009 18231 4120 1 9 . 1 1 10 10 THR C C 10 177.781 177.781 176.553 1.228 18231 4121 1 9 . 1 1 10 10 THR CA C 10 66.869 66.869 65.853 1.016 18231 4122 1 9 . 1 1 10 10 THR CB C 10 67.663 67.663 68.335 -0.672 18231 4123 1 9 . 1 1 10 10 THR H H 10 8.398 8.398 8.338 0.060 18231 4124 1 9 . 1 1 11 11 LEU N N 11 119.632 119.632 121.734 -2.102 18231 4125 1 9 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.273 -0.317 18231 4126 1 9 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.056 0.812 18231 4127 1 9 . 1 1 11 11 LEU CB C 11 41.597 41.597 40.807 0.790 18231 4128 1 9 . 1 1 11 11 LEU H H 11 8.134 8.134 7.396 0.738 18231 4129 1 9 . 1 1 12 12 ILE N N 12 119.532 119.532 120.198 -0.666 18231 4130 1 9 . 1 1 12 12 ILE HA H 12 3.968 3.968 2.620 1.348 18231 4131 1 9 . 1 1 12 12 ILE C C 12 175.378 175.378 177.912 -2.534 18231 4132 1 9 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.390 -0.018 18231 4133 1 9 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.281 1.651 18231 4134 1 9 . 1 1 12 12 ILE H H 12 7.751 7.751 7.666 0.085 18231 4135 1 9 . 1 1 13 13 ASN N N 13 121.617 121.617 118.356 3.261 18231 4136 1 9 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.484 0.043 18231 4137 1 9 . 1 1 13 13 ASN C C 13 174.457 174.457 177.940 -3.483 18231 4138 1 9 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.304 -0.244 18231 4139 1 9 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.373 -0.716 18231 4140 1 9 . 1 1 13 13 ASN H H 13 9.012 9.012 8.393 0.619 18231 4141 1 9 . 1 1 14 14 VAL N N 14 120.538 120.538 118.338 2.200 18231 4142 1 9 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.728 0.087 18231 4143 1 9 . 1 1 14 14 VAL C C 14 176.194 176.194 178.062 -1.868 18231 4144 1 9 . 1 1 14 14 VAL CA C 14 66.080 66.080 65.887 0.193 18231 4145 1 9 . 1 1 14 14 VAL CB C 14 31.571 31.571 30.706 0.865 18231 4146 1 9 . 1 1 14 14 VAL H H 14 8.951 8.951 8.190 0.761 18231 4147 1 9 . 1 1 15 15 PHE N N 15 117.397 117.397 121.400 -4.003 18231 4148 1 9 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.216 -0.747 18231 4149 1 9 . 1 1 15 15 PHE C C 15 176.028 176.028 177.697 -1.669 18231 4150 1 9 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.397 -0.234 18231 4151 1 9 . 1 1 15 15 PHE CB C 15 38.935 38.935 38.628 0.307 18231 4152 1 9 . 1 1 15 15 PHE H H 15 6.953 6.953 8.553 -1.600 18231 4153 1 9 . 1 1 16 16 HIS N N 16 115.032 115.032 118.975 -3.943 18231 4154 1 9 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.260 0.576 18231 4155 1 9 . 1 1 16 16 HIS C C 16 176.028 176.028 177.825 -1.797 18231 4156 1 9 . 1 1 16 16 HIS CA C 16 58.017 58.017 58.507 -0.490 18231 4157 1 9 . 1 1 16 16 HIS CB C 16 28.281 28.281 28.975 -0.694 18231 4158 1 9 . 1 1 16 16 HIS H H 16 7.736 7.736 8.211 -0.475 18231 4159 1 9 . 1 1 17 17 ALA N N 17 123.252 123.252 121.933 1.319 18231 4160 1 9 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.941 0.107 18231 4161 1 9 . 1 1 17 17 ALA C C 17 174.507 174.507 179.765 -5.258 18231 4162 1 9 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.966 -1.271 18231 4163 1 9 . 1 1 17 17 ALA CB C 17 17.354 17.354 18.022 -0.668 18231 4164 1 9 . 1 1 17 17 ALA H H 17 8.070 8.070 8.050 0.020 18231 4165 1 9 . 1 1 18 18 HIS N N 18 113.812 113.812 117.210 -3.398 18231 4166 1 9 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.246 0.144 18231 4167 1 9 . 1 1 18 18 HIS C C 18 177.747 177.747 178.011 -0.264 18231 4168 1 9 . 1 1 18 18 HIS CA C 18 56.935 56.935 58.561 -1.626 18231 4169 1 9 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.296 2.844 18231 4170 1 9 . 1 1 18 18 HIS H H 18 7.043 7.043 8.290 -1.247 18231 4171 1 9 . 1 1 19 19 SER N N 19 113.634 113.634 114.610 -0.976 18231 4172 1 9 . 1 1 19 19 SER HA H 19 3.673 3.673 4.113 -0.440 18231 4173 1 9 . 1 1 19 19 SER C C 19 176.511 176.511 176.543 -0.032 18231 4174 1 9 . 1 1 19 19 SER CA C 19 60.926 60.926 60.734 0.191 18231 4175 1 9 . 1 1 19 19 SER CB C 19 60.919 60.919 63.124 -2.205 18231 4176 1 9 . 1 1 19 19 SER H H 19 8.489 8.489 8.309 0.180 18231 4177 1 9 . 1 1 20 20 GLY N N 20 111.572 111.572 108.820 2.752 18231 4178 1 9 . 1 1 20 20 GLY C C 20 179.798 179.798 175.916 3.882 18231 4179 1 9 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.219 -1.127 18231 4180 1 9 . 1 1 20 20 GLY H H 20 7.734 7.734 8.149 -0.415 18231 4181 1 9 . 1 1 21 21 LYS N N 21 122.204 122.204 121.754 0.450 18231 4182 1 9 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.115 -0.191 18231 4183 1 9 . 1 1 21 21 LYS C C 21 176.162 176.162 177.531 -1.369 18231 4184 1 9 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.742 0.354 18231 4185 1 9 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.687 -0.787 18231 4186 1 9 . 1 1 21 21 LYS H H 21 7.196 7.196 7.603 -0.407 18231 4187 1 9 . 1 1 22 22 GLU N N 22 115.840 115.840 116.936 -1.096 18231 4188 1 9 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.459 0.208 18231 4189 1 9 . 1 1 22 22 GLU C C 22 176.511 176.511 176.700 -0.189 18231 4190 1 9 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.050 -1.269 18231 4191 1 9 . 1 1 22 22 GLU CB C 22 32.641 32.641 28.718 3.923 18231 4192 1 9 . 1 1 22 22 GLU H H 22 9.363 9.363 7.562 1.801 18231 4193 1 9 . 1 1 23 23 GLY N N 23 111.558 111.558 109.973 1.585 18231 4194 1 9 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.166 0.334 18231 4195 1 9 . 1 1 23 23 GLY H H 23 7.710 7.710 7.855 -0.145 18231 4196 1 9 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.347 0.061 18231 4197 1 9 . 1 1 24 24 ASP C C 24 173.495 173.495 176.646 -3.151 18231 4198 1 9 . 1 1 24 24 ASP CA C 24 54.717 54.717 55.177 -0.460 18231 4199 1 9 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.425 2.635 18231 4200 1 9 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.897 0.390 18231 4201 1 9 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.103 -1.574 18231 4202 1 9 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.505 -1.596 18231 4203 1 9 . 1 1 26 26 TYR N N 26 119.467 119.467 114.247 5.220 18231 4204 1 9 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.406 0.305 18231 4205 1 9 . 1 1 26 26 TYR C C 26 179.682 179.682 175.838 3.844 18231 4206 1 9 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.602 -3.778 18231 4207 1 9 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.508 -0.837 18231 4208 1 9 . 1 1 26 26 TYR H H 26 9.377 9.377 8.359 1.018 18231 4209 1 9 . 1 1 27 27 LYS N N 27 114.770 114.770 118.672 -3.902 18231 4210 1 9 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.578 0.544 18231 4211 1 9 . 1 1 27 27 LYS C C 27 178.721 178.721 174.521 4.200 18231 4212 1 9 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.899 -0.172 18231 4213 1 9 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.367 3.122 18231 4214 1 9 . 1 1 27 27 LYS H H 27 7.100 7.100 7.497 -0.397 18231 4215 1 9 . 1 1 28 28 LEU N N 28 125.858 125.858 125.911 -0.053 18231 4216 1 9 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.949 0.234 18231 4217 1 9 . 1 1 28 28 LEU C C 28 177.490 177.490 175.399 2.091 18231 4218 1 9 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.372 -1.039 18231 4219 1 9 . 1 1 28 28 LEU CB C 28 42.586 42.586 45.372 -2.786 18231 4220 1 9 . 1 1 28 28 LEU H H 28 9.750 9.750 8.269 1.481 18231 4221 1 9 . 1 1 29 29 SER N N 29 120.926 120.926 120.430 0.496 18231 4222 1 9 . 1 1 29 29 SER HA H 29 4.560 4.560 4.777 -0.217 18231 4223 1 9 . 1 1 29 29 SER C C 29 178.943 178.943 174.889 4.054 18231 4224 1 9 . 1 1 29 29 SER CA C 29 55.907 55.907 57.339 -1.432 18231 4225 1 9 . 1 1 29 29 SER CB C 29 65.035 65.035 65.503 -0.468 18231 4226 1 9 . 1 1 29 29 SER H H 29 9.907 9.907 8.210 1.697 18231 4227 1 9 . 1 1 30 30 LYS N N 30 120.263 120.263 125.008 -4.745 18231 4228 1 9 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.946 -0.094 18231 4229 1 9 . 1 1 30 30 LYS C C 30 175.519 175.519 178.425 -2.906 18231 4230 1 9 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.788 -0.128 18231 4231 1 9 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.135 -0.397 18231 4232 1 9 . 1 1 30 30 LYS H H 30 8.838 8.838 9.072 -0.234 18231 4233 1 9 . 1 1 31 31 LYS N N 31 118.292 118.292 117.286 1.006 18231 4234 1 9 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.045 -0.123 18231 4235 1 9 . 1 1 31 31 LYS C C 31 174.664 174.664 179.171 -4.507 18231 4236 1 9 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.619 -0.321 18231 4237 1 9 . 1 1 31 31 LYS CB C 31 32.665 32.665 31.988 0.677 18231 4238 1 9 . 1 1 31 31 LYS H H 31 7.903 7.903 8.412 -0.509 18231 4239 1 9 . 1 1 32 32 GLU N N 32 119.243 119.243 118.492 0.751 18231 4240 1 9 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.002 -0.095 18231 4241 1 9 . 1 1 32 32 GLU C C 32 174.836 174.836 178.655 -3.819 18231 4242 1 9 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.113 -0.797 18231 4243 1 9 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.408 1.469 18231 4244 1 9 . 1 1 32 32 GLU H H 32 7.499 7.499 7.459 0.040 18231 4245 1 9 . 1 1 33 33 LEU N N 33 119.432 119.432 119.021 0.411 18231 4246 1 9 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.063 -0.145 18231 4247 1 9 . 1 1 33 33 LEU C C 33 175.740 175.740 178.044 -2.304 18231 4248 1 9 . 1 1 33 33 LEU CA C 33 57.269 57.269 56.983 0.286 18231 4249 1 9 . 1 1 33 33 LEU CB C 33 40.981 40.981 40.818 0.163 18231 4250 1 9 . 1 1 33 33 LEU H H 33 9.062 9.062 8.314 0.748 18231 4251 1 9 . 1 1 34 34 LYS N N 34 119.090 119.090 120.549 -1.459 18231 4252 1 9 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.880 -0.226 18231 4253 1 9 . 1 1 34 34 LYS C C 34 175.916 175.916 178.261 -2.345 18231 4254 1 9 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.381 -0.097 18231 4255 1 9 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.162 -0.762 18231 4256 1 9 . 1 1 34 34 LYS H H 34 8.236 8.236 8.158 0.078 18231 4257 1 9 . 1 1 35 35 GLU N N 35 117.482 117.482 118.553 -1.071 18231 4258 1 9 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.998 -0.001 18231 4259 1 9 . 1 1 35 35 GLU C C 35 174.549 174.549 178.801 -4.252 18231 4260 1 9 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.290 -0.061 18231 4261 1 9 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.157 -0.324 18231 4262 1 9 . 1 1 35 35 GLU H H 35 7.734 7.734 7.884 -0.150 18231 4263 1 9 . 1 1 36 36 LEU N N 36 124.601 124.601 120.236 4.365 18231 4264 1 9 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.937 -1.249 18231 4265 1 9 . 1 1 36 36 LEU C C 36 174.780 174.780 179.133 -4.353 18231 4266 1 9 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.778 1.549 18231 4267 1 9 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.135 0.500 18231 4268 1 9 . 1 1 36 36 LEU H H 36 8.308 8.308 7.510 0.798 18231 4269 1 9 . 1 1 37 37 LEU N N 37 118.901 118.901 118.867 0.034 18231 4270 1 9 . 1 1 37 37 LEU HA H 37 3.733 3.733 4.035 -0.302 18231 4271 1 9 . 1 1 37 37 LEU C C 37 174.771 174.771 179.569 -4.798 18231 4272 1 9 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.944 -0.031 18231 4273 1 9 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.304 -0.018 18231 4274 1 9 . 1 1 37 37 LEU H H 37 8.663 8.663 8.349 0.314 18231 4275 1 9 . 1 1 38 38 GLN N N 38 114.582 114.582 118.640 -4.058 18231 4276 1 9 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.051 -0.094 18231 4277 1 9 . 1 1 38 38 GLN C C 38 175.747 175.747 177.806 -2.059 18231 4278 1 9 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.959 -0.788 18231 4279 1 9 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.867 -0.238 18231 4280 1 9 . 1 1 38 38 GLN H H 38 8.507 8.507 8.291 0.216 18231 4281 1 9 . 1 1 39 39 THR N N 39 110.227 110.227 113.809 -3.582 18231 4282 1 9 . 1 1 39 39 THR HA H 39 4.252 4.252 3.957 0.295 18231 4283 1 9 . 1 1 39 39 THR C C 39 176.966 176.966 176.108 0.858 18231 4284 1 9 . 1 1 39 39 THR CA C 39 64.485 64.485 65.476 -0.991 18231 4285 1 9 . 1 1 39 39 THR CB C 39 69.254 69.254 68.945 0.308 18231 4286 1 9 . 1 1 39 39 THR H H 39 7.845 7.845 7.944 -0.099 18231 4287 1 9 . 1 1 40 40 GLU N N 40 117.400 117.400 119.535 -2.135 18231 4288 1 9 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.194 -0.044 18231 4289 1 9 . 1 1 40 40 GLU C C 40 177.343 177.343 177.069 0.274 18231 4290 1 9 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.308 -1.739 18231 4291 1 9 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.377 -0.796 18231 4292 1 9 . 1 1 40 40 GLU H H 40 8.460 8.460 8.010 0.450 18231 4293 1 9 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.662 0.365 18231 4294 1 9 . 1 1 41 41 LEU C C 41 176.458 176.458 178.071 -1.613 18231 4295 1 9 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.688 -1.253 18231 4296 1 9 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.794 0.513 18231 4297 1 9 . 1 1 42 42 SER N N 42 116.528 116.528 119.492 -2.964 18231 4298 1 9 . 1 1 42 42 SER HA H 42 4.062 4.062 4.424 -0.362 18231 4299 1 9 . 1 1 42 42 SER CA C 42 61.213 61.213 61.557 -0.344 18231 4300 1 9 . 1 1 42 42 SER CB C 42 62.378 62.378 62.965 -0.587 18231 4301 1 9 . 1 1 42 42 SER H H 42 8.246 8.246 9.066 -0.820 18231 4302 1 9 . 1 1 43 43 GLY N N 43 111.367 111.367 109.019 2.348 18231 4303 1 9 . 1 1 43 43 GLY C C 43 177.750 177.750 175.816 1.934 18231 4304 1 9 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.285 -0.547 18231 4305 1 9 . 1 1 43 43 GLY H H 43 8.850 8.850 8.590 0.260 18231 4306 1 9 . 1 1 44 44 PHE N N 44 122.213 122.213 121.343 0.870 18231 4307 1 9 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.090 0.273 18231 4308 1 9 . 1 1 44 44 PHE C C 44 176.428 176.428 177.157 -0.729 18231 4309 1 9 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.871 -0.358 18231 4310 1 9 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.083 1.249 18231 4311 1 9 . 1 1 44 44 PHE H H 44 7.936 7.936 8.030 -0.094 18231 4312 1 9 . 1 1 45 45 LEU N N 45 119.395 119.395 120.164 -0.769 18231 4313 1 9 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.467 0.564 18231 4314 1 9 . 1 1 45 45 LEU C C 45 177.212 177.212 179.068 -1.856 18231 4315 1 9 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.156 0.212 18231 4316 1 9 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.496 -0.455 18231 4317 1 9 . 1 1 45 45 LEU H H 45 8.133 8.133 6.404 1.729 18231 4318 1 9 . 1 1 46 46 ASP N N 46 117.384 117.384 118.770 -1.386 18231 4319 1 9 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.273 0.109 18231 4320 1 9 . 1 1 46 46 ASP C C 46 176.684 176.684 178.103 -1.419 18231 4321 1 9 . 1 1 46 46 ASP CA C 46 55.312 55.312 56.726 -1.414 18231 4322 1 9 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.869 0.671 18231 4323 1 9 . 1 1 46 46 ASP H H 46 8.139 8.139 8.158 -0.019 18231 4324 1 9 . 1 1 47 47 ALA N N 47 121.052 121.052 122.399 -1.347 18231 4325 1 9 . 1 1 47 47 ALA HA H 47 4.164 4.164 3.989 0.175 18231 4326 1 9 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.703 -2.159 18231 4327 1 9 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.472 -0.123 18231 4328 1 9 . 1 1 47 47 ALA H H 47 7.637 7.637 7.752 -0.115 18231 4329 1 9 . 1 1 48 48 GLN N N 48 116.271 116.271 116.200 0.071 18231 4330 1 9 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.030 0.110 18231 4331 1 9 . 1 1 48 48 GLN CA C 48 54.979 54.979 57.654 -2.675 18231 4332 1 9 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.907 -0.836 18231 4333 1 9 . 1 1 48 48 GLN H H 48 7.661 7.661 7.578 0.083 18231 4334 1 9 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.237 -0.108 18231 4335 1 9 . 1 1 49 49 LYS C C 49 177.345 177.345 175.185 2.160 18231 4336 1 9 . 1 1 49 49 LYS CA C 49 56.247 56.247 56.436 -0.189 18231 4337 1 9 . 1 1 49 49 LYS CB C 49 31.780 31.780 33.042 -1.262 18231 4338 1 9 . 1 1 50 50 ASP N N 50 118.526 118.526 122.594 -4.068 18231 4339 1 9 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.373 0.284 18231 4340 1 9 . 1 1 50 50 ASP C C 50 177.422 177.422 177.110 0.312 18231 4341 1 9 . 1 1 50 50 ASP CA C 50 53.834 53.834 55.280 -1.446 18231 4342 1 9 . 1 1 50 50 ASP CB C 50 41.689 41.689 39.711 1.978 18231 4343 1 9 . 1 1 50 50 ASP H H 50 7.975 7.975 8.884 -0.909 18231 4344 1 9 . 1 1 51 51 VAL N N 51 120.868 120.868 118.527 2.341 18231 4345 1 9 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.777 0.203 18231 4346 1 9 . 1 1 51 51 VAL C C 51 177.212 177.212 176.831 0.381 18231 4347 1 9 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.541 -2.192 18231 4348 1 9 . 1 1 51 51 VAL CB C 51 31.736 31.736 31.876 -0.140 18231 4349 1 9 . 1 1 51 51 VAL H H 51 8.225 8.225 8.332 -0.107 18231 4350 1 9 . 1 1 52 52 ASP N N 52 121.054 121.054 120.444 0.610 18231 4351 1 9 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.289 0.489 18231 4352 1 9 . 1 1 52 52 ASP C C 52 176.912 176.912 177.877 -0.965 18231 4353 1 9 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.345 -3.956 18231 4354 1 9 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.947 0.125 18231 4355 1 9 . 1 1 52 52 ASP H H 52 8.403 8.403 8.390 0.013 18231 4356 1 9 . 1 1 53 53 ALA N N 53 123.449 123.449 122.197 1.252 18231 4357 1 9 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.069 -0.132 18231 4358 1 9 . 1 1 53 53 ALA C C 53 174.124 174.124 179.435 -5.311 18231 4359 1 9 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.840 0.123 18231 4360 1 9 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.346 0.527 18231 4361 1 9 . 1 1 53 53 ALA H H 53 7.757 7.757 7.945 -0.188 18231 4362 1 9 . 1 1 54 54 VAL N N 54 116.105 116.105 118.809 -2.704 18231 4363 1 9 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.559 -0.101 18231 4364 1 9 . 1 1 54 54 VAL C C 54 176.953 176.953 177.744 -0.791 18231 4365 1 9 . 1 1 54 54 VAL CA C 54 65.895 65.895 67.148 -1.253 18231 4366 1 9 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.285 -0.705 18231 4367 1 9 . 1 1 54 54 VAL H H 54 8.281 8.281 8.064 0.217 18231 4368 1 9 . 1 1 55 55 ASP N N 55 120.466 120.466 120.044 0.422 18231 4369 1 9 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.357 -0.192 18231 4370 1 9 . 1 1 55 55 ASP C C 55 174.997 174.997 178.874 -3.877 18231 4371 1 9 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.454 -0.254 18231 4372 1 9 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.053 0.467 18231 4373 1 9 . 1 1 55 55 ASP H H 55 7.667 7.667 8.241 -0.574 18231 4374 1 9 . 1 1 56 56 LYS N N 56 119.065 119.065 119.872 -0.807 18231 4375 1 9 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.053 -0.074 18231 4376 1 9 . 1 1 56 56 LYS C C 56 174.602 174.602 179.286 -4.684 18231 4377 1 9 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.237 -0.692 18231 4378 1 9 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.485 -0.885 18231 4379 1 9 . 1 1 56 56 LYS H H 56 7.628 7.628 7.286 0.342 18231 4380 1 9 . 1 1 57 57 VAL N N 57 119.756 119.756 119.586 0.170 18231 4381 1 9 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.735 -0.008 18231 4382 1 9 . 1 1 57 57 VAL C C 57 175.782 175.782 178.336 -2.554 18231 4383 1 9 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.227 -0.628 18231 4384 1 9 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.727 -0.480 18231 4385 1 9 . 1 1 57 57 VAL H H 57 7.920 7.920 8.160 -0.240 18231 4386 1 9 . 1 1 58 58 MET N N 58 118.541 118.541 119.330 -0.789 18231 4387 1 9 . 1 1 58 58 MET HA H 58 3.936 3.936 4.199 -0.263 18231 4388 1 9 . 1 1 58 58 MET C C 58 176.330 176.330 177.455 -1.125 18231 4389 1 9 . 1 1 58 58 MET CA C 58 58.620 58.620 57.898 0.722 18231 4390 1 9 . 1 1 58 58 MET CB C 58 32.002 32.002 32.044 -0.042 18231 4391 1 9 . 1 1 58 58 MET H H 58 8.426 8.426 8.497 -0.071 18231 4392 1 9 . 1 1 59 59 LYS N N 59 116.084 116.084 118.203 -2.119 18231 4393 1 9 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.963 -0.027 18231 4394 1 9 . 1 1 59 59 LYS C C 59 176.918 176.918 178.068 -1.150 18231 4395 1 9 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.486 -0.812 18231 4396 1 9 . 1 1 59 59 LYS CB C 59 32.602 32.602 31.916 0.686 18231 4397 1 9 . 1 1 59 59 LYS H H 59 7.623 7.623 7.653 -0.030 18231 4398 1 9 . 1 1 60 60 GLU N N 60 117.227 117.227 117.070 0.157 18231 4399 1 9 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.120 -0.065 18231 4400 1 9 . 1 1 60 60 GLU C C 60 175.146 175.146 178.276 -3.130 18231 4401 1 9 . 1 1 60 60 GLU CA C 60 58.031 58.031 57.948 0.083 18231 4402 1 9 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.538 -0.223 18231 4403 1 9 . 1 1 60 60 GLU H H 60 7.592 7.592 7.678 -0.086 18231 4404 1 9 . 1 1 61 61 LEU N N 61 116.051 116.051 117.697 -1.646 18231 4405 1 9 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.156 0.207 18231 4406 1 9 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.529 -1.670 18231 4407 1 9 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.218 1.359 18231 4408 1 9 . 1 1 61 61 LEU H H 61 8.045 8.045 7.214 0.831 18231 4409 1 9 . 1 1 62 62 ASP N N 62 116.891 116.891 117.550 -0.659 18231 4410 1 9 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.825 -0.125 18231 4411 1 9 . 1 1 62 62 ASP C C 62 176.806 176.806 176.434 0.372 18231 4412 1 9 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.549 -0.433 18231 4413 1 9 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.334 -1.683 18231 4414 1 9 . 1 1 62 62 ASP H H 62 8.008 8.008 8.075 -0.067 18231 4415 1 9 . 1 1 63 63 GLU N N 63 129.185 129.185 126.937 2.248 18231 4416 1 9 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.144 -0.090 18231 4417 1 9 . 1 1 63 63 GLU C C 63 175.826 175.826 177.555 -1.729 18231 4418 1 9 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.642 -0.324 18231 4419 1 9 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.967 0.251 18231 4420 1 9 . 1 1 63 63 GLU H H 63 8.347 8.347 8.266 0.081 18231 4421 1 9 . 1 1 64 64 ASN N N 64 112.618 112.618 114.899 -2.281 18231 4422 1 9 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.731 0.017 18231 4423 1 9 . 1 1 64 64 ASN C C 64 176.855 176.855 176.059 0.796 18231 4424 1 9 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.500 -0.874 18231 4425 1 9 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.298 -1.425 18231 4426 1 9 . 1 1 64 64 ASN H H 64 7.978 7.978 8.044 -0.067 18231 4427 1 9 . 1 1 65 65 GLY N N 65 109.111 109.111 108.556 0.555 18231 4428 1 9 . 1 1 65 65 GLY C C 65 178.426 178.426 175.021 3.405 18231 4429 1 9 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.144 0.895 18231 4430 1 9 . 1 1 65 65 GLY H H 65 7.543 7.543 7.800 -0.257 18231 4431 1 9 . 1 1 66 66 ASP N N 66 119.205 119.205 119.903 -0.698 18231 4432 1 9 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.396 0.145 18231 4433 1 9 . 1 1 66 66 ASP C C 66 176.015 176.015 177.877 -1.862 18231 4434 1 9 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.541 -1.702 18231 4435 1 9 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.063 -1.187 18231 4436 1 9 . 1 1 66 66 ASP H H 66 8.113 8.113 8.568 -0.455 18231 4437 1 9 . 1 1 67 67 GLY N N 67 113.254 113.254 108.353 4.901 18231 4438 1 9 . 1 1 67 67 GLY C C 67 180.780 180.780 173.545 7.235 18231 4439 1 9 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.985 0.228 18231 4440 1 9 . 1 1 67 67 GLY H H 67 10.267 10.267 9.138 1.129 18231 4441 1 9 . 1 1 68 68 GLU N N 68 116.975 116.975 119.409 -2.434 18231 4442 1 9 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.707 0.103 18231 4443 1 9 . 1 1 68 68 GLU C C 68 178.130 178.130 174.699 3.431 18231 4444 1 9 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.698 -0.568 18231 4445 1 9 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.681 2.071 18231 4446 1 9 . 1 1 68 68 GLU H H 68 7.714 7.714 8.677 -0.963 18231 4447 1 9 . 1 1 69 69 VAL N N 69 125.146 125.146 120.845 4.301 18231 4448 1 9 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.809 0.440 18231 4449 1 9 . 1 1 69 69 VAL C C 69 177.413 177.413 174.716 2.697 18231 4450 1 9 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.358 -0.656 18231 4451 1 9 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.578 -0.091 18231 4452 1 9 . 1 1 69 69 VAL H H 69 9.389 9.389 7.934 1.455 18231 4453 1 9 . 1 1 70 70 ASP N N 70 129.202 129.202 124.264 4.938 18231 4454 1 9 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.062 0.107 18231 4455 1 9 . 1 1 70 70 ASP C C 70 178.332 178.332 176.935 1.397 18231 4456 1 9 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.423 0.722 18231 4457 1 9 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.514 -3.417 18231 4458 1 9 . 1 1 70 70 ASP H H 70 9.109 9.109 8.669 0.440 18231 4459 1 9 . 1 1 71 71 PHE N N 71 118.298 118.298 124.764 -6.466 18231 4460 1 9 . 1 1 71 71 PHE HA H 71 2.927 2.927 4.240 -1.313 18231 4461 1 9 . 1 1 71 71 PHE C C 71 176.763 176.763 177.194 -0.431 18231 4462 1 9 . 1 1 71 71 PHE CA C 71 63.051 63.051 62.323 0.728 18231 4463 1 9 . 1 1 71 71 PHE CB C 71 38.989 38.989 39.349 -0.360 18231 4464 1 9 . 1 1 71 71 PHE H H 71 8.938 8.938 8.830 0.108 18231 4465 1 9 . 1 1 72 72 GLN N N 72 116.762 116.762 118.004 -1.242 18231 4466 1 9 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.814 -0.120 18231 4467 1 9 . 1 1 72 72 GLN C C 72 175.208 175.208 178.184 -2.976 18231 4468 1 9 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.895 -0.676 18231 4469 1 9 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.057 -0.251 18231 4470 1 9 . 1 1 72 72 GLN H H 72 7.997 7.997 9.096 -1.099 18231 4471 1 9 . 1 1 73 73 GLU N N 73 120.146 120.146 119.786 0.360 18231 4472 1 9 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.969 0.127 18231 4473 1 9 . 1 1 73 73 GLU C C 73 174.746 174.746 178.763 -4.017 18231 4474 1 9 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.353 -1.249 18231 4475 1 9 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.543 0.303 18231 4476 1 9 . 1 1 73 73 GLU H H 73 8.289 8.289 7.615 0.674 18231 4477 1 9 . 1 1 74 74 TYR N N 74 121.506 121.506 121.470 0.036 18231 4478 1 9 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.017 0.096 18231 4479 1 9 . 1 1 74 74 TYR C C 74 176.925 176.925 177.197 -0.272 18231 4480 1 9 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.165 -2.064 18231 4481 1 9 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.209 -0.837 18231 4482 1 9 . 1 1 74 74 TYR H H 74 8.324 8.324 8.429 -0.105 18231 4483 1 9 . 1 1 75 75 VAL N N 75 120.725 120.725 118.722 2.003 18231 4484 1 9 . 1 1 75 75 VAL HA H 75 2.873 2.873 2.927 -0.054 18231 4485 1 9 . 1 1 75 75 VAL C C 75 176.738 176.738 177.528 -0.790 18231 4486 1 9 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.898 -1.018 18231 4487 1 9 . 1 1 75 75 VAL CB C 75 31.000 31.000 31.222 -0.222 18231 4488 1 9 . 1 1 75 75 VAL H H 75 8.074 8.074 8.005 0.069 18231 4489 1 9 . 1 1 76 76 VAL N N 76 120.118 120.118 119.405 0.713 18231 4490 1 9 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.447 -0.027 18231 4491 1 9 . 1 1 76 76 VAL C C 76 174.620 174.620 177.851 -3.231 18231 4492 1 9 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.384 0.025 18231 4493 1 9 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.600 -0.824 18231 4494 1 9 . 1 1 76 76 VAL H H 76 7.119 7.119 7.196 -0.077 18231 4495 1 9 . 1 1 77 77 LEU N N 77 120.709 120.709 120.469 0.240 18231 4496 1 9 . 1 1 77 77 LEU HA H 77 4.030 4.030 3.965 0.065 18231 4497 1 9 . 1 1 77 77 LEU C C 77 175.943 175.943 178.340 -2.397 18231 4498 1 9 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.155 -1.215 18231 4499 1 9 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.905 -0.797 18231 4500 1 9 . 1 1 77 77 LEU H H 77 6.865 6.865 7.761 -0.896 18231 4501 1 9 . 1 1 78 78 VAL N N 78 116.930 116.930 115.156 1.774 18231 4502 1 9 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.489 -0.349 18231 4503 1 9 . 1 1 78 78 VAL C C 78 174.150 174.150 177.418 -3.268 18231 4504 1 9 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.709 0.669 18231 4505 1 9 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.612 -0.383 18231 4506 1 9 . 1 1 78 78 VAL H H 78 7.539 7.539 7.926 -0.387 18231 4507 1 9 . 1 1 79 79 ALA N N 79 124.551 124.551 122.507 2.044 18231 4508 1 9 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.860 -0.168 18231 4509 1 9 . 1 1 79 79 ALA C C 79 175.111 175.111 179.093 -3.982 18231 4510 1 9 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.126 0.366 18231 4511 1 9 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.893 -0.430 18231 4512 1 9 . 1 1 79 79 ALA H H 79 8.918 8.918 8.177 0.741 18231 4513 1 9 . 1 1 80 80 ALA N N 80 120.223 120.223 121.070 -0.847 18231 4514 1 9 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.091 -0.026 18231 4515 1 9 . 1 1 80 80 ALA C C 80 171.473 171.473 179.585 -8.112 18231 4516 1 9 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.640 0.286 18231 4517 1 9 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.364 -0.938 18231 4518 1 9 . 1 1 80 80 ALA H H 80 7.760 7.760 7.440 0.320 18231 4519 1 9 . 1 1 81 81 LEU N N 81 119.090 119.090 118.911 0.179 18231 4520 1 9 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.899 0.189 18231 4521 1 9 . 1 1 81 81 LEU C C 81 174.008 174.008 179.258 -5.250 18231 4522 1 9 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.688 -0.031 18231 4523 1 9 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.489 0.742 18231 4524 1 9 . 1 1 81 81 LEU H H 81 8.542 8.542 8.311 0.231 18231 4525 1 9 . 1 1 82 82 THR N N 82 119.585 119.585 114.235 5.350 18231 4526 1 9 . 1 1 82 82 THR HA H 82 4.332 4.332 4.051 0.281 18231 4527 1 9 . 1 1 82 82 THR C C 82 176.758 176.758 176.609 0.149 18231 4528 1 9 . 1 1 82 82 THR CA C 82 67.286 67.286 65.984 1.302 18231 4529 1 9 . 1 1 82 82 THR CB C 82 68.127 68.127 68.526 -0.399 18231 4530 1 9 . 1 1 82 82 THR H H 82 8.421 8.421 8.152 0.269 18231 4531 1 9 . 1 1 83 83 VAL N N 83 121.934 121.934 120.637 1.297 18231 4532 1 9 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.750 -0.035 18231 4533 1 9 . 1 1 83 83 VAL C C 83 175.556 175.556 177.730 -2.174 18231 4534 1 9 . 1 1 83 83 VAL CA C 83 66.903 66.903 65.594 1.309 18231 4535 1 9 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.145 0.401 18231 4536 1 9 . 1 1 83 83 VAL H H 83 8.077 8.077 7.409 0.668 18231 4537 1 9 . 1 1 84 84 ALA N N 84 121.367 121.367 122.520 -1.153 18231 4538 1 9 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.095 0.106 18231 4539 1 9 . 1 1 84 84 ALA C C 84 173.936 173.936 179.712 -5.776 18231 4540 1 9 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.259 0.021 18231 4541 1 9 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.970 -0.363 18231 4542 1 9 . 1 1 84 84 ALA H H 84 7.835 7.835 8.365 -0.530 18231 4543 1 9 . 1 1 85 85 CYS N N 85 116.731 116.731 116.543 0.188 18231 4544 1 9 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.131 0.106 18231 4545 1 9 . 1 1 85 85 CYS CA C 85 56.651 56.651 63.102 -6.451 18231 4546 1 9 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.158 12.812 18231 4547 1 9 . 1 1 85 85 CYS H H 85 8.244 8.244 8.190 0.054 18231 4548 1 9 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.745 -0.362 18231 4549 1 9 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.264 -1.286 18231 4550 1 9 . 1 1 86 86 ASN CB C 86 40.491 40.491 37.794 2.697 18231 4551 1 9 . 1 1 87 87 ASN N N 87 120.372 120.372 119.596 0.776 18231 4552 1 9 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.604 -0.207 18231 4553 1 9 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.701 -0.732 18231 4554 1 9 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.423 -1.035 18231 4555 1 9 . 1 1 87 87 ASN H H 87 7.539 7.539 7.744 -0.205 18231 4556 1 9 . 1 1 88 88 PHE N N 88 118.684 118.684 121.014 -2.330 18231 4557 1 9 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.190 0.182 18231 4558 1 9 . 1 1 88 88 PHE C C 88 177.050 177.050 177.177 -0.127 18231 4559 1 9 . 1 1 88 88 PHE CA C 88 59.373 59.373 62.083 -2.710 18231 4560 1 9 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.756 0.263 18231 4561 1 9 . 1 1 88 88 PHE H H 88 7.862 7.862 8.463 -0.601 18231 4562 1 9 . 1 1 89 89 PHE N N 89 118.515 118.515 117.173 1.342 18231 4563 1 9 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.146 0.142 18231 4564 1 9 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.461 -2.203 18231 4565 1 9 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.552 0.680 18231 4566 1 9 . 1 1 89 89 PHE H H 89 7.898 7.898 7.779 0.119 18231 4567 1 9 . 1 1 90 90 TRP N N 90 118.964 118.964 121.158 -2.194 18231 4568 1 9 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.350 0.135 18231 4569 1 9 . 1 1 90 90 TRP C C 90 174.481 174.481 178.054 -3.573 18231 4570 1 9 . 1 1 90 90 TRP CA C 90 57.371 57.371 61.169 -3.798 18231 4571 1 9 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.651 -0.375 18231 4572 1 9 . 1 1 90 90 TRP H H 90 7.773 7.773 7.981 -0.208 18231 4573 1 9 . 1 1 91 91 GLU N N 91 120.150 120.150 116.834 3.316 18231 4574 1 9 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.079 -0.022 18231 4575 1 9 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.415 -0.438 18231 4576 1 9 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.935 0.159 18231 4577 1 9 . 1 1 91 91 GLU H H 91 7.812 7.812 8.141 -0.329 18231 4578 1 9 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.661 0.007 18231 4579 1 9 . 1 1 92 92 ASN C C 92 175.577 175.577 174.058 1.519 18231 4580 1 9 . 1 1 92 92 ASN CA C 92 52.806 52.806 52.565 0.241 18231 4581 1 9 . 1 1 92 92 ASN CB C 92 38.795 38.795 39.146 -0.351 18231 4582 1 10 . 1 1 2 2 SER N N 2 118.234 118.234 116.184 2.050 18231 4583 1 10 . 1 1 2 2 SER HA H 2 4.750 4.750 4.753 -0.003 18231 4584 1 10 . 1 1 2 2 SER C C 2 178.105 178.105 175.334 2.771 18231 4585 1 10 . 1 1 2 2 SER CA C 2 57.133 57.133 57.666 -0.533 18231 4586 1 10 . 1 1 2 2 SER CB C 2 64.624 64.624 65.809 -1.185 18231 4587 1 10 . 1 1 2 2 SER H H 2 9.007 9.007 8.376 0.631 18231 4588 1 10 . 1 1 3 3 GLU N N 3 123.466 123.466 124.337 -0.871 18231 4589 1 10 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.045 0.094 18231 4590 1 10 . 1 1 3 3 GLU C C 3 173.854 173.854 178.603 -4.749 18231 4591 1 10 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.739 1.371 18231 4592 1 10 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.817 -0.917 18231 4593 1 10 . 1 1 3 3 GLU H H 3 9.436 9.436 8.995 0.441 18231 4594 1 10 . 1 1 4 4 LEU N N 4 119.878 119.878 119.852 0.026 18231 4595 1 10 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.016 0.070 18231 4596 1 10 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.398 0.511 18231 4597 1 10 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.803 -0.398 18231 4598 1 10 . 1 1 4 4 LEU H H 4 8.891 8.891 8.114 0.777 18231 4599 1 10 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.088 -0.077 18231 4600 1 10 . 1 1 5 5 GLU C C 5 173.709 173.709 178.698 -4.989 18231 4601 1 10 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.460 0.136 18231 4602 1 10 . 1 1 5 5 GLU CB C 5 29.055 29.055 28.817 0.238 18231 4603 1 10 . 1 1 6 6 THR N N 6 116.614 116.614 116.351 0.263 18231 4604 1 10 . 1 1 6 6 THR HA H 6 4.019 4.019 4.065 -0.046 18231 4605 1 10 . 1 1 6 6 THR C C 6 176.965 176.965 176.096 0.869 18231 4606 1 10 . 1 1 6 6 THR CA C 6 66.175 66.175 66.160 0.015 18231 4607 1 10 . 1 1 6 6 THR CB C 6 68.280 68.280 68.146 0.134 18231 4608 1 10 . 1 1 6 6 THR H H 6 8.316 8.316 7.484 0.832 18231 4609 1 10 . 1 1 7 7 ALA N N 7 126.118 126.118 124.985 1.133 18231 4610 1 10 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.143 -0.007 18231 4611 1 10 . 1 1 7 7 ALA C C 7 173.544 173.544 179.401 -5.857 18231 4612 1 10 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.937 -0.099 18231 4613 1 10 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.204 -0.754 18231 4614 1 10 . 1 1 7 7 ALA H H 7 8.167 8.167 7.432 0.735 18231 4615 1 10 . 1 1 8 8 MET N N 8 117.610 117.610 116.766 0.844 18231 4616 1 10 . 1 1 8 8 MET HA H 8 4.174 4.174 4.075 0.099 18231 4617 1 10 . 1 1 8 8 MET C C 8 175.513 175.513 178.717 -3.204 18231 4618 1 10 . 1 1 8 8 MET CA C 8 61.988 61.988 59.503 2.485 18231 4619 1 10 . 1 1 8 8 MET CB C 8 26.277 26.277 32.448 -6.171 18231 4620 1 10 . 1 1 8 8 MET H H 8 8.286 8.286 7.527 0.759 18231 4621 1 10 . 1 1 9 9 GLU N N 9 117.751 117.751 118.197 -0.446 18231 4622 1 10 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.134 -0.214 18231 4623 1 10 . 1 1 9 9 GLU C C 9 174.479 174.479 179.302 -4.823 18231 4624 1 10 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.304 0.114 18231 4625 1 10 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.226 -0.212 18231 4626 1 10 . 1 1 9 9 GLU H H 9 8.055 8.055 7.741 0.314 18231 4627 1 10 . 1 1 10 10 THR N N 10 117.936 117.936 114.521 3.415 18231 4628 1 10 . 1 1 10 10 THR HA H 10 4.083 4.083 4.081 0.002 18231 4629 1 10 . 1 1 10 10 THR C C 10 177.781 177.781 176.911 0.870 18231 4630 1 10 . 1 1 10 10 THR CA C 10 66.869 66.869 66.281 0.588 18231 4631 1 10 . 1 1 10 10 THR CB C 10 67.663 67.663 68.703 -1.040 18231 4632 1 10 . 1 1 10 10 THR H H 10 8.398 8.398 8.285 0.113 18231 4633 1 10 . 1 1 11 11 LEU N N 11 119.632 119.632 122.061 -2.429 18231 4634 1 10 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.343 -0.387 18231 4635 1 10 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.234 0.634 18231 4636 1 10 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.050 0.547 18231 4637 1 10 . 1 1 11 11 LEU H H 11 8.134 8.134 7.614 0.520 18231 4638 1 10 . 1 1 12 12 ILE N N 12 119.532 119.532 120.276 -0.744 18231 4639 1 10 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.122 0.846 18231 4640 1 10 . 1 1 12 12 ILE C C 12 175.378 175.378 178.074 -2.696 18231 4641 1 10 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.603 -0.231 18231 4642 1 10 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.330 1.602 18231 4643 1 10 . 1 1 12 12 ILE H H 12 7.751 7.751 7.705 0.046 18231 4644 1 10 . 1 1 13 13 ASN N N 13 121.617 121.617 118.505 3.112 18231 4645 1 10 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.484 0.043 18231 4646 1 10 . 1 1 13 13 ASN C C 13 174.457 174.457 177.808 -3.351 18231 4647 1 10 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.302 -0.242 18231 4648 1 10 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.260 -0.603 18231 4649 1 10 . 1 1 13 13 ASN H H 13 9.012 9.012 8.271 0.741 18231 4650 1 10 . 1 1 14 14 VAL N N 14 120.538 120.538 120.166 0.372 18231 4651 1 10 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.648 0.167 18231 4652 1 10 . 1 1 14 14 VAL C C 14 176.194 176.194 177.883 -1.689 18231 4653 1 10 . 1 1 14 14 VAL CA C 14 66.080 66.080 67.039 -0.959 18231 4654 1 10 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.963 -0.393 18231 4655 1 10 . 1 1 14 14 VAL H H 14 8.951 8.951 8.304 0.647 18231 4656 1 10 . 1 1 15 15 PHE N N 15 117.397 117.397 121.035 -3.638 18231 4657 1 10 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.044 -0.575 18231 4658 1 10 . 1 1 15 15 PHE C C 15 176.028 176.028 177.275 -1.247 18231 4659 1 10 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.056 0.107 18231 4660 1 10 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.151 -0.216 18231 4661 1 10 . 1 1 15 15 PHE H H 15 6.953 6.953 8.712 -1.759 18231 4662 1 10 . 1 1 16 16 HIS N N 16 115.032 115.032 120.532 -5.500 18231 4663 1 10 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.108 0.728 18231 4664 1 10 . 1 1 16 16 HIS C C 16 176.028 176.028 177.269 -1.241 18231 4665 1 10 . 1 1 16 16 HIS CA C 16 58.017 58.017 58.364 -0.346 18231 4666 1 10 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.443 -1.162 18231 4667 1 10 . 1 1 16 16 HIS H H 16 7.736 7.736 8.626 -0.890 18231 4668 1 10 . 1 1 17 17 ALA N N 17 123.252 123.252 121.330 1.922 18231 4669 1 10 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.589 0.459 18231 4670 1 10 . 1 1 17 17 ALA C C 17 174.507 174.507 179.809 -5.302 18231 4671 1 10 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.723 -1.028 18231 4672 1 10 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.883 -0.529 18231 4673 1 10 . 1 1 17 17 ALA H H 17 8.070 8.070 8.074 -0.004 18231 4674 1 10 . 1 1 18 18 HIS N N 18 113.812 113.812 116.527 -2.715 18231 4675 1 10 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.257 0.133 18231 4676 1 10 . 1 1 18 18 HIS C C 18 177.747 177.747 178.451 -0.704 18231 4677 1 10 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.048 -2.113 18231 4678 1 10 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.621 2.519 18231 4679 1 10 . 1 1 18 18 HIS H H 18 7.043 7.043 8.172 -1.129 18231 4680 1 10 . 1 1 19 19 SER N N 19 113.634 113.634 115.919 -2.285 18231 4681 1 10 . 1 1 19 19 SER HA H 19 3.673 3.673 4.140 -0.467 18231 4682 1 10 . 1 1 19 19 SER C C 19 176.511 176.511 177.117 -0.606 18231 4683 1 10 . 1 1 19 19 SER CA C 19 60.926 60.926 60.816 0.111 18231 4684 1 10 . 1 1 19 19 SER CB C 19 60.919 60.919 62.619 -1.700 18231 4685 1 10 . 1 1 19 19 SER H H 19 8.489 8.489 8.289 0.200 18231 4686 1 10 . 1 1 20 20 GLY N N 20 111.572 111.572 108.772 2.800 18231 4687 1 10 . 1 1 20 20 GLY C C 20 179.798 179.798 175.698 4.100 18231 4688 1 10 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.537 -1.445 18231 4689 1 10 . 1 1 20 20 GLY H H 20 7.734 7.734 8.314 -0.580 18231 4690 1 10 . 1 1 21 21 LYS N N 21 122.204 122.204 121.092 1.112 18231 4691 1 10 . 1 1 21 21 LYS HA H 21 3.924 3.924 3.995 -0.071 18231 4692 1 10 . 1 1 21 21 LYS C C 21 176.162 176.162 177.724 -1.562 18231 4693 1 10 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.843 0.253 18231 4694 1 10 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.531 -0.631 18231 4695 1 10 . 1 1 21 21 LYS H H 21 7.196 7.196 7.738 -0.542 18231 4696 1 10 . 1 1 22 22 GLU N N 22 115.840 115.840 118.495 -2.655 18231 4697 1 10 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.493 0.174 18231 4698 1 10 . 1 1 22 22 GLU C C 22 176.511 176.511 176.182 0.329 18231 4699 1 10 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.281 -1.500 18231 4700 1 10 . 1 1 22 22 GLU CB C 22 32.641 32.641 28.948 3.692 18231 4701 1 10 . 1 1 22 22 GLU H H 22 9.363 9.363 7.705 1.658 18231 4702 1 10 . 1 1 23 23 GLY N N 23 111.558 111.558 110.034 1.524 18231 4703 1 10 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.260 0.240 18231 4704 1 10 . 1 1 23 23 GLY H H 23 7.710 7.710 8.012 -0.302 18231 4705 1 10 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.377 0.031 18231 4706 1 10 . 1 1 24 24 ASP C C 24 173.495 173.495 176.839 -3.344 18231 4707 1 10 . 1 1 24 24 ASP CA C 24 54.717 54.717 55.134 -0.417 18231 4708 1 10 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.414 2.646 18231 4709 1 10 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.924 0.363 18231 4710 1 10 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.002 -1.474 18231 4711 1 10 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.367 -1.458 18231 4712 1 10 . 1 1 26 26 TYR N N 26 119.467 119.467 114.411 5.056 18231 4713 1 10 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.449 0.262 18231 4714 1 10 . 1 1 26 26 TYR C C 26 179.682 179.682 175.805 3.877 18231 4715 1 10 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.563 -3.739 18231 4716 1 10 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.610 -0.939 18231 4717 1 10 . 1 1 26 26 TYR H H 26 9.377 9.377 8.338 1.039 18231 4718 1 10 . 1 1 27 27 LYS N N 27 114.770 114.770 118.667 -3.897 18231 4719 1 10 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.668 0.454 18231 4720 1 10 . 1 1 27 27 LYS C C 27 178.721 178.721 175.075 3.646 18231 4721 1 10 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.865 -0.138 18231 4722 1 10 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.195 3.294 18231 4723 1 10 . 1 1 27 27 LYS H H 27 7.100 7.100 7.677 -0.577 18231 4724 1 10 . 1 1 28 28 LEU N N 28 125.858 125.858 127.601 -1.743 18231 4725 1 10 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.865 0.318 18231 4726 1 10 . 1 1 28 28 LEU C C 28 177.490 177.490 175.497 1.993 18231 4727 1 10 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.790 -1.457 18231 4728 1 10 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.989 -2.404 18231 4729 1 10 . 1 1 28 28 LEU H H 28 9.750 9.750 8.564 1.186 18231 4730 1 10 . 1 1 29 29 SER N N 29 120.926 120.926 120.561 0.365 18231 4731 1 10 . 1 1 29 29 SER HA H 29 4.560 4.560 4.802 -0.242 18231 4732 1 10 . 1 1 29 29 SER C C 29 178.943 178.943 174.642 4.301 18231 4733 1 10 . 1 1 29 29 SER CA C 29 55.907 55.907 57.233 -1.326 18231 4734 1 10 . 1 1 29 29 SER CB C 29 65.035 65.035 65.268 -0.233 18231 4735 1 10 . 1 1 29 29 SER H H 29 9.907 9.907 9.288 0.619 18231 4736 1 10 . 1 1 30 30 LYS N N 30 120.263 120.263 124.857 -4.594 18231 4737 1 10 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.858 -0.007 18231 4738 1 10 . 1 1 30 30 LYS C C 30 175.519 175.519 178.369 -2.850 18231 4739 1 10 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.932 -0.272 18231 4740 1 10 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.270 -0.532 18231 4741 1 10 . 1 1 30 30 LYS H H 30 8.838 8.838 9.036 -0.198 18231 4742 1 10 . 1 1 31 31 LYS N N 31 118.292 118.292 117.622 0.670 18231 4743 1 10 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.039 -0.117 18231 4744 1 10 . 1 1 31 31 LYS C C 31 174.664 174.664 179.447 -4.783 18231 4745 1 10 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.631 -0.333 18231 4746 1 10 . 1 1 31 31 LYS CB C 31 32.665 32.665 31.691 0.974 18231 4747 1 10 . 1 1 31 31 LYS H H 31 7.903 7.903 8.625 -0.722 18231 4748 1 10 . 1 1 32 32 GLU N N 32 119.243 119.243 119.324 -0.081 18231 4749 1 10 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.016 -0.109 18231 4750 1 10 . 1 1 32 32 GLU C C 32 174.836 174.836 178.862 -4.026 18231 4751 1 10 . 1 1 32 32 GLU CA C 32 58.316 58.316 58.821 -0.505 18231 4752 1 10 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.422 1.456 18231 4753 1 10 . 1 1 32 32 GLU H H 32 7.499 7.499 8.218 -0.719 18231 4754 1 10 . 1 1 33 33 LEU N N 33 119.432 119.432 121.222 -1.790 18231 4755 1 10 . 1 1 33 33 LEU HA H 33 3.918 3.918 3.939 -0.021 18231 4756 1 10 . 1 1 33 33 LEU C C 33 175.740 175.740 177.854 -2.114 18231 4757 1 10 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.749 -0.480 18231 4758 1 10 . 1 1 33 33 LEU CB C 33 40.981 40.981 42.089 -1.108 18231 4759 1 10 . 1 1 33 33 LEU H H 33 9.062 9.062 8.394 0.668 18231 4760 1 10 . 1 1 34 34 LYS N N 34 119.090 119.090 119.005 0.085 18231 4761 1 10 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.869 -0.215 18231 4762 1 10 . 1 1 34 34 LYS C C 34 175.916 175.916 178.544 -2.628 18231 4763 1 10 . 1 1 34 34 LYS CA C 34 60.284 60.284 59.911 0.373 18231 4764 1 10 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.104 -0.704 18231 4765 1 10 . 1 1 34 34 LYS H H 34 8.236 8.236 8.514 -0.278 18231 4766 1 10 . 1 1 35 35 GLU N N 35 117.482 117.482 118.299 -0.817 18231 4767 1 10 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.034 -0.037 18231 4768 1 10 . 1 1 35 35 GLU C C 35 174.549 174.549 178.751 -4.202 18231 4769 1 10 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.080 0.149 18231 4770 1 10 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.016 -0.183 18231 4771 1 10 . 1 1 35 35 GLU H H 35 7.734 7.734 7.486 0.248 18231 4772 1 10 . 1 1 36 36 LEU N N 36 124.601 124.601 120.678 3.923 18231 4773 1 10 . 1 1 36 36 LEU HA H 36 2.688 2.688 4.015 -1.327 18231 4774 1 10 . 1 1 36 36 LEU C C 36 174.780 174.780 179.594 -4.814 18231 4775 1 10 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.487 1.840 18231 4776 1 10 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.401 0.234 18231 4777 1 10 . 1 1 36 36 LEU H H 36 8.308 8.308 8.014 0.294 18231 4778 1 10 . 1 1 37 37 LEU N N 37 118.901 118.901 118.680 0.221 18231 4779 1 10 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.938 -0.205 18231 4780 1 10 . 1 1 37 37 LEU C C 37 174.771 174.771 179.222 -4.451 18231 4781 1 10 . 1 1 37 37 LEU CA C 37 57.913 57.913 58.118 -0.205 18231 4782 1 10 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.316 -0.030 18231 4783 1 10 . 1 1 37 37 LEU H H 37 8.663 8.663 8.415 0.248 18231 4784 1 10 . 1 1 38 38 GLN N N 38 114.582 114.582 117.847 -3.265 18231 4785 1 10 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.039 -0.082 18231 4786 1 10 . 1 1 38 38 GLN C C 38 175.747 175.747 177.584 -1.837 18231 4787 1 10 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.886 -0.715 18231 4788 1 10 . 1 1 38 38 GLN CB C 38 28.629 28.629 29.038 -0.409 18231 4789 1 10 . 1 1 38 38 GLN H H 38 8.507 8.507 8.090 0.417 18231 4790 1 10 . 1 1 39 39 THR N N 39 110.227 110.227 110.524 -0.297 18231 4791 1 10 . 1 1 39 39 THR HA H 39 4.252 4.252 3.890 0.362 18231 4792 1 10 . 1 1 39 39 THR C C 39 176.966 176.966 176.135 0.831 18231 4793 1 10 . 1 1 39 39 THR CA C 39 64.485 64.485 64.788 -0.303 18231 4794 1 10 . 1 1 39 39 THR CB C 39 69.254 69.254 69.103 0.151 18231 4795 1 10 . 1 1 39 39 THR H H 39 7.845 7.845 7.929 -0.084 18231 4796 1 10 . 1 1 40 40 GLU N N 40 117.400 117.400 120.374 -2.974 18231 4797 1 10 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.228 -0.078 18231 4798 1 10 . 1 1 40 40 GLU C C 40 177.343 177.343 177.019 0.324 18231 4799 1 10 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.166 -1.597 18231 4800 1 10 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.034 -0.453 18231 4801 1 10 . 1 1 40 40 GLU H H 40 8.460 8.460 8.147 0.313 18231 4802 1 10 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.649 0.378 18231 4803 1 10 . 1 1 41 41 LEU C C 41 176.458 176.458 178.307 -1.849 18231 4804 1 10 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.662 -1.227 18231 4805 1 10 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.371 0.936 18231 4806 1 10 . 1 1 42 42 SER N N 42 116.528 116.528 121.142 -4.614 18231 4807 1 10 . 1 1 42 42 SER HA H 42 4.062 4.062 4.480 -0.418 18231 4808 1 10 . 1 1 42 42 SER CA C 42 61.213 61.213 61.085 0.128 18231 4809 1 10 . 1 1 42 42 SER CB C 42 62.378 62.378 62.686 -0.308 18231 4810 1 10 . 1 1 42 42 SER H H 42 8.246 8.246 8.989 -0.743 18231 4811 1 10 . 1 1 43 43 GLY N N 43 111.367 111.367 109.221 2.146 18231 4812 1 10 . 1 1 43 43 GLY C C 43 177.750 177.750 175.694 2.056 18231 4813 1 10 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.089 -0.351 18231 4814 1 10 . 1 1 43 43 GLY H H 43 8.850 8.850 8.547 0.303 18231 4815 1 10 . 1 1 44 44 PHE N N 44 122.213 122.213 121.444 0.769 18231 4816 1 10 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.092 0.271 18231 4817 1 10 . 1 1 44 44 PHE C C 44 176.428 176.428 177.060 -0.632 18231 4818 1 10 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.560 -0.047 18231 4819 1 10 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.156 1.176 18231 4820 1 10 . 1 1 44 44 PHE H H 44 7.936 7.936 8.032 -0.096 18231 4821 1 10 . 1 1 45 45 LEU N N 45 119.395 119.395 120.503 -1.108 18231 4822 1 10 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.286 0.745 18231 4823 1 10 . 1 1 45 45 LEU C C 45 177.212 177.212 179.131 -1.919 18231 4824 1 10 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.113 0.255 18231 4825 1 10 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.490 -0.449 18231 4826 1 10 . 1 1 45 45 LEU H H 45 8.133 8.133 6.701 1.432 18231 4827 1 10 . 1 1 46 46 ASP N N 46 117.384 117.384 118.824 -1.440 18231 4828 1 10 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.267 0.115 18231 4829 1 10 . 1 1 46 46 ASP C C 46 176.684 176.684 178.157 -1.473 18231 4830 1 10 . 1 1 46 46 ASP CA C 46 55.312 55.312 56.778 -1.466 18231 4831 1 10 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.885 0.655 18231 4832 1 10 . 1 1 46 46 ASP H H 46 8.139 8.139 8.315 -0.176 18231 4833 1 10 . 1 1 47 47 ALA N N 47 121.052 121.052 122.047 -0.995 18231 4834 1 10 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.054 0.110 18231 4835 1 10 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.561 -2.016 18231 4836 1 10 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.428 -0.079 18231 4837 1 10 . 1 1 47 47 ALA H H 47 7.637 7.637 7.771 -0.134 18231 4838 1 10 . 1 1 48 48 GLN N N 48 116.271 116.271 117.385 -1.114 18231 4839 1 10 . 1 1 48 48 GLN HA H 48 4.140 4.140 3.996 0.144 18231 4840 1 10 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.267 -3.288 18231 4841 1 10 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.350 -0.279 18231 4842 1 10 . 1 1 48 48 GLN H H 48 7.661 7.661 7.734 -0.073 18231 4843 1 10 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.069 0.060 18231 4844 1 10 . 1 1 49 49 LYS C C 49 177.345 177.345 177.037 0.308 18231 4845 1 10 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.035 -1.788 18231 4846 1 10 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.773 -0.993 18231 4847 1 10 . 1 1 50 50 ASP N N 50 118.526 118.526 117.802 0.724 18231 4848 1 10 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.767 -0.110 18231 4849 1 10 . 1 1 50 50 ASP C C 50 177.422 177.422 176.172 1.250 18231 4850 1 10 . 1 1 50 50 ASP CA C 50 53.834 53.834 53.276 0.558 18231 4851 1 10 . 1 1 50 50 ASP CB C 50 41.689 41.689 41.207 0.482 18231 4852 1 10 . 1 1 50 50 ASP H H 50 7.975 7.975 7.668 0.306 18231 4853 1 10 . 1 1 51 51 VAL N N 51 120.868 120.868 125.914 -5.046 18231 4854 1 10 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.787 0.193 18231 4855 1 10 . 1 1 51 51 VAL C C 51 177.212 177.212 176.770 0.442 18231 4856 1 10 . 1 1 51 51 VAL CA C 51 63.349 63.349 64.906 -1.557 18231 4857 1 10 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.066 -0.330 18231 4858 1 10 . 1 1 51 51 VAL H H 51 8.225 8.225 8.803 -0.578 18231 4859 1 10 . 1 1 52 52 ASP N N 52 121.054 121.054 120.379 0.675 18231 4860 1 10 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.327 0.451 18231 4861 1 10 . 1 1 52 52 ASP C C 52 176.912 176.912 177.874 -0.962 18231 4862 1 10 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.045 -3.656 18231 4863 1 10 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.904 0.168 18231 4864 1 10 . 1 1 52 52 ASP H H 52 8.403 8.403 8.009 0.394 18231 4865 1 10 . 1 1 53 53 ALA N N 53 123.449 123.449 121.946 1.503 18231 4866 1 10 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.059 -0.122 18231 4867 1 10 . 1 1 53 53 ALA C C 53 174.124 174.124 179.161 -5.037 18231 4868 1 10 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.940 0.023 18231 4869 1 10 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.416 0.457 18231 4870 1 10 . 1 1 53 53 ALA H H 53 7.757 7.757 7.887 -0.130 18231 4871 1 10 . 1 1 54 54 VAL N N 54 116.105 116.105 115.152 0.953 18231 4872 1 10 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.717 -0.259 18231 4873 1 10 . 1 1 54 54 VAL C C 54 176.953 176.953 177.188 -0.235 18231 4874 1 10 . 1 1 54 54 VAL CA C 54 65.895 65.895 65.948 -0.054 18231 4875 1 10 . 1 1 54 54 VAL CB C 54 30.580 30.580 30.674 -0.094 18231 4876 1 10 . 1 1 54 54 VAL H H 54 8.281 8.281 8.054 0.227 18231 4877 1 10 . 1 1 55 55 ASP N N 55 120.466 120.466 121.471 -1.005 18231 4878 1 10 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.408 -0.243 18231 4879 1 10 . 1 1 55 55 ASP C C 55 174.997 174.997 178.587 -3.590 18231 4880 1 10 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.528 -0.328 18231 4881 1 10 . 1 1 55 55 ASP CB C 55 40.520 40.520 39.854 0.666 18231 4882 1 10 . 1 1 55 55 ASP H H 55 7.667 7.667 8.137 -0.470 18231 4883 1 10 . 1 1 56 56 LYS N N 56 119.065 119.065 120.097 -1.032 18231 4884 1 10 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.051 -0.072 18231 4885 1 10 . 1 1 56 56 LYS C C 56 174.602 174.602 179.224 -4.622 18231 4886 1 10 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.270 -0.725 18231 4887 1 10 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.559 -0.958 18231 4888 1 10 . 1 1 56 56 LYS H H 56 7.628 7.628 7.406 0.222 18231 4889 1 10 . 1 1 57 57 VAL N N 57 119.756 119.756 119.603 0.153 18231 4890 1 10 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.659 0.068 18231 4891 1 10 . 1 1 57 57 VAL C C 57 175.782 175.782 178.348 -2.566 18231 4892 1 10 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.148 -0.549 18231 4893 1 10 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.947 -0.700 18231 4894 1 10 . 1 1 57 57 VAL H H 57 7.920 7.920 8.084 -0.164 18231 4895 1 10 . 1 1 58 58 MET N N 58 118.541 118.541 119.334 -0.793 18231 4896 1 10 . 1 1 58 58 MET HA H 58 3.936 3.936 4.113 -0.177 18231 4897 1 10 . 1 1 58 58 MET C C 58 176.330 176.330 177.441 -1.111 18231 4898 1 10 . 1 1 58 58 MET CA C 58 58.620 58.620 58.995 -0.375 18231 4899 1 10 . 1 1 58 58 MET CB C 58 32.002 32.002 32.463 -0.461 18231 4900 1 10 . 1 1 58 58 MET H H 58 8.426 8.426 8.280 0.146 18231 4901 1 10 . 1 1 59 59 LYS N N 59 116.084 116.084 118.011 -1.927 18231 4902 1 10 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.990 -0.054 18231 4903 1 10 . 1 1 59 59 LYS C C 59 176.918 176.918 178.927 -2.009 18231 4904 1 10 . 1 1 59 59 LYS CA C 59 58.674 58.674 58.998 -0.324 18231 4905 1 10 . 1 1 59 59 LYS CB C 59 32.602 32.602 31.397 1.205 18231 4906 1 10 . 1 1 59 59 LYS H H 59 7.623 7.623 7.666 -0.043 18231 4907 1 10 . 1 1 60 60 GLU N N 60 117.227 117.227 117.476 -0.249 18231 4908 1 10 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.072 -0.017 18231 4909 1 10 . 1 1 60 60 GLU C C 60 175.146 175.146 179.019 -3.873 18231 4910 1 10 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.530 -0.499 18231 4911 1 10 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.548 -0.233 18231 4912 1 10 . 1 1 60 60 GLU H H 60 7.592 7.592 7.559 0.033 18231 4913 1 10 . 1 1 61 61 LEU N N 61 116.051 116.051 118.959 -2.908 18231 4914 1 10 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.147 0.216 18231 4915 1 10 . 1 1 61 61 LEU CA C 61 54.859 54.859 57.232 -2.373 18231 4916 1 10 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.178 1.399 18231 4917 1 10 . 1 1 61 61 LEU H H 61 8.045 8.045 7.370 0.675 18231 4918 1 10 . 1 1 62 62 ASP N N 62 116.891 116.891 118.355 -1.464 18231 4919 1 10 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.952 -0.252 18231 4920 1 10 . 1 1 62 62 ASP C C 62 176.806 176.806 175.479 1.327 18231 4921 1 10 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.064 0.052 18231 4922 1 10 . 1 1 62 62 ASP CB C 62 38.651 38.651 38.961 -0.310 18231 4923 1 10 . 1 1 62 62 ASP H H 62 8.008 8.008 8.304 -0.296 18231 4924 1 10 . 1 1 63 63 GLU N N 63 129.185 129.185 120.942 8.243 18231 4925 1 10 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.003 0.051 18231 4926 1 10 . 1 1 63 63 GLU C C 63 175.826 175.826 177.632 -1.806 18231 4927 1 10 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.814 -0.496 18231 4928 1 10 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.708 0.510 18231 4929 1 10 . 1 1 63 63 GLU H H 63 8.347 8.347 7.796 0.551 18231 4930 1 10 . 1 1 64 64 ASN N N 64 112.618 112.618 115.676 -3.058 18231 4931 1 10 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.560 0.188 18231 4932 1 10 . 1 1 64 64 ASN C C 64 176.855 176.855 176.655 0.200 18231 4933 1 10 . 1 1 64 64 ASN CA C 64 51.626 51.626 53.343 -1.717 18231 4934 1 10 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.439 -1.566 18231 4935 1 10 . 1 1 64 64 ASN H H 64 7.978 7.978 8.277 -0.299 18231 4936 1 10 . 1 1 65 65 GLY N N 65 109.111 109.111 108.773 0.338 18231 4937 1 10 . 1 1 65 65 GLY C C 65 178.426 178.426 174.468 3.958 18231 4938 1 10 . 1 1 65 65 GLY CA C 65 47.039 47.039 45.130 1.909 18231 4939 1 10 . 1 1 65 65 GLY H H 65 7.543 7.543 8.012 -0.469 18231 4940 1 10 . 1 1 66 66 ASP N N 66 119.205 119.205 119.949 -0.744 18231 4941 1 10 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.424 0.117 18231 4942 1 10 . 1 1 66 66 ASP C C 66 176.015 176.015 177.715 -1.700 18231 4943 1 10 . 1 1 66 66 ASP CA C 66 52.839 52.839 55.008 -2.169 18231 4944 1 10 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.825 -0.949 18231 4945 1 10 . 1 1 66 66 ASP H H 66 8.113 8.113 8.177 -0.064 18231 4946 1 10 . 1 1 67 67 GLY N N 67 113.254 113.254 107.510 5.744 18231 4947 1 10 . 1 1 67 67 GLY C C 67 180.780 180.780 173.431 7.349 18231 4948 1 10 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.976 0.237 18231 4949 1 10 . 1 1 67 67 GLY H H 67 10.267 10.267 8.742 1.525 18231 4950 1 10 . 1 1 68 68 GLU N N 68 116.975 116.975 119.841 -2.866 18231 4951 1 10 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.592 0.218 18231 4952 1 10 . 1 1 68 68 GLU C C 68 178.130 178.130 174.847 3.283 18231 4953 1 10 . 1 1 68 68 GLU CA C 68 54.130 54.130 55.038 -0.908 18231 4954 1 10 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.068 2.684 18231 4955 1 10 . 1 1 68 68 GLU H H 68 7.714 7.714 8.648 -0.934 18231 4956 1 10 . 1 1 69 69 VAL N N 69 125.146 125.146 121.505 3.641 18231 4957 1 10 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.767 0.482 18231 4958 1 10 . 1 1 69 69 VAL C C 69 177.413 177.413 174.950 2.463 18231 4959 1 10 . 1 1 69 69 VAL CA C 69 60.702 60.702 60.663 0.039 18231 4960 1 10 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.299 0.188 18231 4961 1 10 . 1 1 69 69 VAL H H 69 9.389 9.389 8.081 1.308 18231 4962 1 10 . 1 1 70 70 ASP N N 70 129.202 129.202 124.443 4.759 18231 4963 1 10 . 1 1 70 70 ASP HA H 70 5.169 5.169 4.969 0.200 18231 4964 1 10 . 1 1 70 70 ASP C C 70 178.332 178.332 177.073 1.259 18231 4965 1 10 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.542 0.603 18231 4966 1 10 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.320 -3.223 18231 4967 1 10 . 1 1 70 70 ASP H H 70 9.109 9.109 8.497 0.612 18231 4968 1 10 . 1 1 71 71 PHE N N 71 118.298 118.298 124.813 -6.515 18231 4969 1 10 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.735 -0.808 18231 4970 1 10 . 1 1 71 71 PHE C C 71 176.763 176.763 176.481 0.282 18231 4971 1 10 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.590 1.460 18231 4972 1 10 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.819 0.170 18231 4973 1 10 . 1 1 71 71 PHE H H 71 8.938 8.938 8.760 0.178 18231 4974 1 10 . 1 1 72 72 GLN N N 72 116.762 116.762 116.588 0.174 18231 4975 1 10 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.817 -0.123 18231 4976 1 10 . 1 1 72 72 GLN C C 72 175.208 175.208 178.480 -3.272 18231 4977 1 10 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.711 -0.492 18231 4978 1 10 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.007 -0.201 18231 4979 1 10 . 1 1 72 72 GLN H H 72 7.997 7.997 8.995 -0.998 18231 4980 1 10 . 1 1 73 73 GLU N N 73 120.146 120.146 120.299 -0.153 18231 4981 1 10 . 1 1 73 73 GLU HA H 73 4.096 4.096 4.007 0.089 18231 4982 1 10 . 1 1 73 73 GLU C C 73 174.746 174.746 178.749 -4.003 18231 4983 1 10 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.436 -1.332 18231 4984 1 10 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.576 0.270 18231 4985 1 10 . 1 1 73 73 GLU H H 73 8.289 8.289 7.669 0.620 18231 4986 1 10 . 1 1 74 74 TYR N N 74 121.506 121.506 121.648 -0.142 18231 4987 1 10 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.138 -0.025 18231 4988 1 10 . 1 1 74 74 TYR C C 74 176.925 176.925 177.474 -0.549 18231 4989 1 10 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.719 -2.618 18231 4990 1 10 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.635 -1.263 18231 4991 1 10 . 1 1 74 74 TYR H H 74 8.324 8.324 8.598 -0.274 18231 4992 1 10 . 1 1 75 75 VAL N N 75 120.725 120.725 118.845 1.880 18231 4993 1 10 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.305 -0.432 18231 4994 1 10 . 1 1 75 75 VAL C C 75 176.738 176.738 177.898 -1.160 18231 4995 1 10 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.379 -0.499 18231 4996 1 10 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.557 0.443 18231 4997 1 10 . 1 1 75 75 VAL H H 75 8.074 8.074 8.253 -0.179 18231 4998 1 10 . 1 1 76 76 VAL N N 76 120.118 120.118 119.609 0.509 18231 4999 1 10 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.592 -0.172 18231 5000 1 10 . 1 1 76 76 VAL C C 76 174.620 174.620 178.044 -3.424 18231 5001 1 10 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.339 0.070 18231 5002 1 10 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.242 -0.466 18231 5003 1 10 . 1 1 76 76 VAL H H 76 7.119 7.119 7.562 -0.443 18231 5004 1 10 . 1 1 77 77 LEU N N 77 120.709 120.709 121.184 -0.475 18231 5005 1 10 . 1 1 77 77 LEU HA H 77 4.030 4.030 3.949 0.081 18231 5006 1 10 . 1 1 77 77 LEU C C 77 175.943 175.943 178.296 -2.353 18231 5007 1 10 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.252 -1.312 18231 5008 1 10 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.883 -0.775 18231 5009 1 10 . 1 1 77 77 LEU H H 77 6.865 6.865 7.947 -1.082 18231 5010 1 10 . 1 1 78 78 VAL N N 78 116.930 116.930 115.194 1.736 18231 5011 1 10 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.459 -0.319 18231 5012 1 10 . 1 1 78 78 VAL C C 78 174.150 174.150 177.344 -3.194 18231 5013 1 10 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.802 0.576 18231 5014 1 10 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.914 -0.685 18231 5015 1 10 . 1 1 78 78 VAL H H 78 7.539 7.539 8.025 -0.486 18231 5016 1 10 . 1 1 79 79 ALA N N 79 124.551 124.551 122.341 2.210 18231 5017 1 10 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.911 -0.219 18231 5018 1 10 . 1 1 79 79 ALA C C 79 175.111 175.111 179.161 -4.050 18231 5019 1 10 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.140 0.352 18231 5020 1 10 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.952 -0.489 18231 5021 1 10 . 1 1 79 79 ALA H H 79 8.918 8.918 8.211 0.707 18231 5022 1 10 . 1 1 80 80 ALA N N 80 120.223 120.223 121.047 -0.824 18231 5023 1 10 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.126 -0.061 18231 5024 1 10 . 1 1 80 80 ALA C C 80 171.473 171.473 179.677 -8.204 18231 5025 1 10 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.646 0.280 18231 5026 1 10 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.417 -0.991 18231 5027 1 10 . 1 1 80 80 ALA H H 80 7.760 7.760 7.496 0.264 18231 5028 1 10 . 1 1 81 81 LEU N N 81 119.090 119.090 119.020 0.070 18231 5029 1 10 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.965 0.123 18231 5030 1 10 . 1 1 81 81 LEU C C 81 174.008 174.008 179.097 -5.089 18231 5031 1 10 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.662 -0.005 18231 5032 1 10 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.533 0.698 18231 5033 1 10 . 1 1 81 81 LEU H H 81 8.542 8.542 8.417 0.125 18231 5034 1 10 . 1 1 82 82 THR N N 82 119.585 119.585 114.098 5.487 18231 5035 1 10 . 1 1 82 82 THR HA H 82 4.332 4.332 4.007 0.325 18231 5036 1 10 . 1 1 82 82 THR C C 82 176.758 176.758 176.711 0.047 18231 5037 1 10 . 1 1 82 82 THR CA C 82 67.286 67.286 65.772 1.514 18231 5038 1 10 . 1 1 82 82 THR CB C 82 68.127 68.127 68.640 -0.513 18231 5039 1 10 . 1 1 82 82 THR H H 82 8.421 8.421 8.194 0.227 18231 5040 1 10 . 1 1 83 83 VAL N N 83 121.934 121.934 120.083 1.851 18231 5041 1 10 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.769 -0.054 18231 5042 1 10 . 1 1 83 83 VAL C C 83 175.556 175.556 177.736 -2.180 18231 5043 1 10 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.097 0.806 18231 5044 1 10 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.339 0.207 18231 5045 1 10 . 1 1 83 83 VAL H H 83 8.077 8.077 7.446 0.631 18231 5046 1 10 . 1 1 84 84 ALA N N 84 121.367 121.367 122.546 -1.179 18231 5047 1 10 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.070 0.131 18231 5048 1 10 . 1 1 84 84 ALA C C 84 173.936 173.936 179.591 -5.655 18231 5049 1 10 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.197 0.083 18231 5050 1 10 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.998 -0.391 18231 5051 1 10 . 1 1 84 84 ALA H H 84 7.835 7.835 8.251 -0.416 18231 5052 1 10 . 1 1 85 85 CYS N N 85 116.731 116.731 116.344 0.387 18231 5053 1 10 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.156 0.081 18231 5054 1 10 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.358 -7.707 18231 5055 1 10 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.296 11.674 18231 5056 1 10 . 1 1 85 85 CYS H H 85 8.244 8.244 8.489 -0.245 18231 5057 1 10 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.439 -0.056 18231 5058 1 10 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.468 -1.489 18231 5059 1 10 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.392 2.099 18231 5060 1 10 . 1 1 87 87 ASN N N 87 120.372 120.372 119.284 1.088 18231 5061 1 10 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.685 -0.288 18231 5062 1 10 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.849 -0.880 18231 5063 1 10 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.153 -0.765 18231 5064 1 10 . 1 1 87 87 ASN H H 87 7.539 7.539 7.610 -0.071 18231 5065 1 10 . 1 1 88 88 PHE N N 88 118.684 118.684 119.168 -0.484 18231 5066 1 10 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.239 0.133 18231 5067 1 10 . 1 1 88 88 PHE C C 88 177.050 177.050 177.715 -0.665 18231 5068 1 10 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.629 -2.256 18231 5069 1 10 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.707 0.312 18231 5070 1 10 . 1 1 88 88 PHE H H 88 7.862 7.862 8.309 -0.447 18231 5071 1 10 . 1 1 89 89 PHE N N 89 118.515 118.515 119.689 -1.174 18231 5072 1 10 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.018 0.270 18231 5073 1 10 . 1 1 89 89 PHE CA C 89 59.258 59.258 62.135 -2.877 18231 5074 1 10 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.781 0.451 18231 5075 1 10 . 1 1 89 89 PHE H H 89 7.898 7.898 7.839 0.059 18231 5076 1 10 . 1 1 90 90 TRP N N 90 118.964 118.964 116.388 2.576 18231 5077 1 10 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.367 0.118 18231 5078 1 10 . 1 1 90 90 TRP C C 90 174.481 174.481 177.689 -3.208 18231 5079 1 10 . 1 1 90 90 TRP CA C 90 57.371 57.371 58.805 -1.434 18231 5080 1 10 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.285 -0.010 18231 5081 1 10 . 1 1 90 90 TRP H H 90 7.773 7.773 7.415 0.358 18231 5082 1 10 . 1 1 91 91 GLU N N 91 120.150 120.150 115.356 4.794 18231 5083 1 10 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.262 -0.205 18231 5084 1 10 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.788 0.189 18231 5085 1 10 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.967 0.127 18231 5086 1 10 . 1 1 91 91 GLU H H 91 7.812 7.812 7.643 0.169 18231 5087 1 10 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.835 -0.167 18231 5088 1 10 . 1 1 92 92 ASN C C 92 175.577 175.577 173.537 2.040 18231 5089 1 10 . 1 1 92 92 ASN CA C 92 52.806 52.806 52.608 0.198 18231 5090 1 10 . 1 1 92 92 ASN CB C 92 38.795 38.795 39.483 -0.688 18231 5091 1 11 . 1 1 2 2 SER N N 2 118.234 118.234 117.568 0.666 18231 5092 1 11 . 1 1 2 2 SER HA H 2 4.750 4.750 4.390 0.360 18231 5093 1 11 . 1 1 2 2 SER C C 2 178.105 178.105 175.678 2.427 18231 5094 1 11 . 1 1 2 2 SER CA C 2 57.133 57.133 58.075 -0.942 18231 5095 1 11 . 1 1 2 2 SER CB C 2 64.624 64.624 64.537 0.087 18231 5096 1 11 . 1 1 2 2 SER H H 2 9.007 9.007 8.367 0.640 18231 5097 1 11 . 1 1 3 3 GLU N N 3 123.466 123.466 121.824 1.642 18231 5098 1 11 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.046 0.093 18231 5099 1 11 . 1 1 3 3 GLU C C 3 173.854 173.854 178.874 -5.020 18231 5100 1 11 . 1 1 3 3 GLU CA C 3 60.110 60.110 59.041 1.069 18231 5101 1 11 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.678 -0.778 18231 5102 1 11 . 1 1 3 3 GLU H H 3 9.436 9.436 8.827 0.609 18231 5103 1 11 . 1 1 4 4 LEU N N 4 119.878 119.878 119.046 0.832 18231 5104 1 11 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.044 0.042 18231 5105 1 11 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.843 0.066 18231 5106 1 11 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.404 0.000 18231 5107 1 11 . 1 1 4 4 LEU H H 4 8.891 8.891 8.085 0.806 18231 5108 1 11 . 1 1 5 5 GLU HA H 5 4.011 4.011 3.980 0.031 18231 5109 1 11 . 1 1 5 5 GLU C C 5 173.709 173.709 178.261 -4.552 18231 5110 1 11 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.630 -0.034 18231 5111 1 11 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.285 -0.230 18231 5112 1 11 . 1 1 6 6 THR N N 6 116.614 116.614 115.981 0.633 18231 5113 1 11 . 1 1 6 6 THR HA H 6 4.019 4.019 4.051 -0.032 18231 5114 1 11 . 1 1 6 6 THR C C 6 176.965 176.965 176.189 0.776 18231 5115 1 11 . 1 1 6 6 THR CA C 6 66.175 66.175 66.492 -0.317 18231 5116 1 11 . 1 1 6 6 THR CB C 6 68.280 68.280 68.215 0.065 18231 5117 1 11 . 1 1 6 6 THR H H 6 8.316 8.316 7.503 0.813 18231 5118 1 11 . 1 1 7 7 ALA N N 7 126.118 126.118 125.006 1.112 18231 5119 1 11 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.145 -0.009 18231 5120 1 11 . 1 1 7 7 ALA C C 7 173.544 173.544 179.445 -5.901 18231 5121 1 11 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.938 -0.100 18231 5122 1 11 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.238 -0.788 18231 5123 1 11 . 1 1 7 7 ALA H H 7 8.167 8.167 7.367 0.800 18231 5124 1 11 . 1 1 8 8 MET N N 8 117.610 117.610 117.199 0.411 18231 5125 1 11 . 1 1 8 8 MET HA H 8 4.174 4.174 4.056 0.118 18231 5126 1 11 . 1 1 8 8 MET C C 8 175.513 175.513 178.790 -3.277 18231 5127 1 11 . 1 1 8 8 MET CA C 8 61.988 61.988 59.620 2.368 18231 5128 1 11 . 1 1 8 8 MET CB C 8 26.277 26.277 32.551 -6.274 18231 5129 1 11 . 1 1 8 8 MET H H 8 8.286 8.286 7.653 0.633 18231 5130 1 11 . 1 1 9 9 GLU N N 9 117.751 117.751 119.151 -1.400 18231 5131 1 11 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.046 -0.126 18231 5132 1 11 . 1 1 9 9 GLU C C 9 174.479 174.479 179.097 -4.618 18231 5133 1 11 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.499 -0.080 18231 5134 1 11 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.583 -0.569 18231 5135 1 11 . 1 1 9 9 GLU H H 9 8.055 8.055 7.992 0.063 18231 5136 1 11 . 1 1 10 10 THR N N 10 117.936 117.936 114.764 3.172 18231 5137 1 11 . 1 1 10 10 THR HA H 10 4.083 4.083 4.091 -0.008 18231 5138 1 11 . 1 1 10 10 THR C C 10 177.781 177.781 176.909 0.872 18231 5139 1 11 . 1 1 10 10 THR CA C 10 66.869 66.869 66.367 0.502 18231 5140 1 11 . 1 1 10 10 THR CB C 10 67.663 67.663 68.833 -1.170 18231 5141 1 11 . 1 1 10 10 THR H H 10 8.398 8.398 8.282 0.116 18231 5142 1 11 . 1 1 11 11 LEU N N 11 119.632 119.632 122.118 -2.486 18231 5143 1 11 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.325 -0.369 18231 5144 1 11 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.444 0.424 18231 5145 1 11 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.361 0.236 18231 5146 1 11 . 1 1 11 11 LEU H H 11 8.134 8.134 7.693 0.441 18231 5147 1 11 . 1 1 12 12 ILE N N 12 119.532 119.532 119.998 -0.466 18231 5148 1 11 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.235 0.733 18231 5149 1 11 . 1 1 12 12 ILE C C 12 175.378 175.378 178.047 -2.669 18231 5150 1 11 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.602 -0.230 18231 5151 1 11 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.342 1.590 18231 5152 1 11 . 1 1 12 12 ILE H H 12 7.751 7.751 7.880 -0.129 18231 5153 1 11 . 1 1 13 13 ASN N N 13 121.617 121.617 118.922 2.695 18231 5154 1 11 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.483 0.044 18231 5155 1 11 . 1 1 13 13 ASN C C 13 174.457 174.457 177.685 -3.228 18231 5156 1 11 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.346 -0.285 18231 5157 1 11 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.483 -0.826 18231 5158 1 11 . 1 1 13 13 ASN H H 13 9.012 9.012 8.389 0.623 18231 5159 1 11 . 1 1 14 14 VAL N N 14 120.538 120.538 117.035 3.503 18231 5160 1 11 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.819 -0.004 18231 5161 1 11 . 1 1 14 14 VAL C C 14 176.194 176.194 177.713 -1.519 18231 5162 1 11 . 1 1 14 14 VAL CA C 14 66.080 66.080 66.606 -0.526 18231 5163 1 11 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.829 -0.259 18231 5164 1 11 . 1 1 14 14 VAL H H 14 8.951 8.951 8.214 0.737 18231 5165 1 11 . 1 1 15 15 PHE N N 15 117.397 117.397 122.206 -4.809 18231 5166 1 11 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.125 -0.656 18231 5167 1 11 . 1 1 15 15 PHE C C 15 176.028 176.028 177.209 -1.181 18231 5168 1 11 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.259 -0.096 18231 5169 1 11 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.098 -0.163 18231 5170 1 11 . 1 1 15 15 PHE H H 15 6.953 6.953 8.475 -1.522 18231 5171 1 11 . 1 1 16 16 HIS N N 16 115.032 115.032 120.996 -5.964 18231 5172 1 11 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.222 0.614 18231 5173 1 11 . 1 1 16 16 HIS C C 16 176.028 176.028 177.426 -1.398 18231 5174 1 11 . 1 1 16 16 HIS CA C 16 58.017 58.017 58.366 -0.349 18231 5175 1 11 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.568 -1.287 18231 5176 1 11 . 1 1 16 16 HIS H H 16 7.736 7.736 8.826 -1.090 18231 5177 1 11 . 1 1 17 17 ALA N N 17 123.252 123.252 121.252 2.000 18231 5178 1 11 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.613 0.435 18231 5179 1 11 . 1 1 17 17 ALA C C 17 174.507 174.507 179.811 -5.304 18231 5180 1 11 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.761 -1.066 18231 5181 1 11 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.867 -0.513 18231 5182 1 11 . 1 1 17 17 ALA H H 17 8.070 8.070 8.049 0.021 18231 5183 1 11 . 1 1 18 18 HIS N N 18 113.812 113.812 116.692 -2.880 18231 5184 1 11 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.252 0.138 18231 5185 1 11 . 1 1 18 18 HIS C C 18 177.747 177.747 178.640 -0.893 18231 5186 1 11 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.014 -2.079 18231 5187 1 11 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.672 2.468 18231 5188 1 11 . 1 1 18 18 HIS H H 18 7.043 7.043 8.218 -1.175 18231 5189 1 11 . 1 1 19 19 SER N N 19 113.634 113.634 115.401 -1.767 18231 5190 1 11 . 1 1 19 19 SER HA H 19 3.673 3.673 4.346 -0.673 18231 5191 1 11 . 1 1 19 19 SER C C 19 176.511 176.511 177.175 -0.664 18231 5192 1 11 . 1 1 19 19 SER CA C 19 60.926 60.926 60.608 0.318 18231 5193 1 11 . 1 1 19 19 SER CB C 19 60.919 60.919 62.573 -1.654 18231 5194 1 11 . 1 1 19 19 SER H H 19 8.489 8.489 8.308 0.181 18231 5195 1 11 . 1 1 20 20 GLY N N 20 111.572 111.572 110.014 1.558 18231 5196 1 11 . 1 1 20 20 GLY C C 20 179.798 179.798 175.545 4.253 18231 5197 1 11 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.464 -1.372 18231 5198 1 11 . 1 1 20 20 GLY H H 20 7.734 7.734 8.408 -0.674 18231 5199 1 11 . 1 1 21 21 LYS N N 21 122.204 122.204 121.075 1.129 18231 5200 1 11 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.012 -0.088 18231 5201 1 11 . 1 1 21 21 LYS C C 21 176.162 176.162 177.727 -1.565 18231 5202 1 11 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.807 0.289 18231 5203 1 11 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.547 -0.647 18231 5204 1 11 . 1 1 21 21 LYS H H 21 7.196 7.196 7.755 -0.559 18231 5205 1 11 . 1 1 22 22 GLU N N 22 115.840 115.840 118.031 -2.191 18231 5206 1 11 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.435 0.232 18231 5207 1 11 . 1 1 22 22 GLU C C 22 176.511 176.511 176.383 0.128 18231 5208 1 11 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.536 -1.755 18231 5209 1 11 . 1 1 22 22 GLU CB C 22 32.641 32.641 28.973 3.668 18231 5210 1 11 . 1 1 22 22 GLU H H 22 9.363 9.363 7.760 1.603 18231 5211 1 11 . 1 1 23 23 GLY N N 23 111.558 111.558 111.269 0.289 18231 5212 1 11 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.355 0.145 18231 5213 1 11 . 1 1 23 23 GLY H H 23 7.710 7.710 7.927 -0.217 18231 5214 1 11 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.383 0.025 18231 5215 1 11 . 1 1 24 24 ASP C C 24 173.495 173.495 176.854 -3.359 18231 5216 1 11 . 1 1 24 24 ASP CA C 24 54.717 54.717 55.132 -0.415 18231 5217 1 11 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.402 2.658 18231 5218 1 11 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.879 0.408 18231 5219 1 11 . 1 1 25 25 LYS CA C 25 57.529 57.529 58.954 -1.425 18231 5220 1 11 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.357 -1.448 18231 5221 1 11 . 1 1 26 26 TYR N N 26 119.467 119.467 113.902 5.565 18231 5222 1 11 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.392 0.319 18231 5223 1 11 . 1 1 26 26 TYR C C 26 179.682 179.682 176.112 3.570 18231 5224 1 11 . 1 1 26 26 TYR CA C 26 55.824 55.824 60.097 -4.273 18231 5225 1 11 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.478 -0.807 18231 5226 1 11 . 1 1 26 26 TYR H H 26 9.377 9.377 8.461 0.916 18231 5227 1 11 . 1 1 27 27 LYS N N 27 114.770 114.770 118.108 -3.338 18231 5228 1 11 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.640 0.482 18231 5229 1 11 . 1 1 27 27 LYS C C 27 178.721 178.721 175.195 3.526 18231 5230 1 11 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.729 -0.002 18231 5231 1 11 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.455 3.034 18231 5232 1 11 . 1 1 27 27 LYS H H 27 7.100 7.100 7.703 -0.603 18231 5233 1 11 . 1 1 28 28 LEU N N 28 125.858 125.858 126.090 -0.232 18231 5234 1 11 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.957 0.226 18231 5235 1 11 . 1 1 28 28 LEU C C 28 177.490 177.490 175.626 1.864 18231 5236 1 11 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.823 -1.490 18231 5237 1 11 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.421 -1.835 18231 5238 1 11 . 1 1 28 28 LEU H H 28 9.750 9.750 8.359 1.391 18231 5239 1 11 . 1 1 29 29 SER N N 29 120.926 120.926 119.790 1.136 18231 5240 1 11 . 1 1 29 29 SER HA H 29 4.560 4.560 4.779 -0.219 18231 5241 1 11 . 1 1 29 29 SER C C 29 178.943 178.943 175.424 3.519 18231 5242 1 11 . 1 1 29 29 SER CA C 29 55.907 55.907 55.811 0.096 18231 5243 1 11 . 1 1 29 29 SER CB C 29 65.035 65.035 65.449 -0.414 18231 5244 1 11 . 1 1 29 29 SER H H 29 9.907 9.907 8.575 1.332 18231 5245 1 11 . 1 1 30 30 LYS N N 30 120.263 120.263 126.846 -6.583 18231 5246 1 11 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.951 -0.100 18231 5247 1 11 . 1 1 30 30 LYS C C 30 175.519 175.519 178.383 -2.864 18231 5248 1 11 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.228 0.432 18231 5249 1 11 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.402 -0.664 18231 5250 1 11 . 1 1 30 30 LYS H H 30 8.838 8.838 8.943 -0.105 18231 5251 1 11 . 1 1 31 31 LYS N N 31 118.292 118.292 117.530 0.762 18231 5252 1 11 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.000 -0.078 18231 5253 1 11 . 1 1 31 31 LYS C C 31 174.664 174.664 178.921 -4.257 18231 5254 1 11 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.666 -0.368 18231 5255 1 11 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.218 0.447 18231 5256 1 11 . 1 1 31 31 LYS H H 31 7.903 7.903 7.754 0.149 18231 5257 1 11 . 1 1 32 32 GLU N N 32 119.243 119.243 118.598 0.645 18231 5258 1 11 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.027 -0.120 18231 5259 1 11 . 1 1 32 32 GLU C C 32 174.836 174.836 178.920 -4.084 18231 5260 1 11 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.199 -0.883 18231 5261 1 11 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.528 1.349 18231 5262 1 11 . 1 1 32 32 GLU H H 32 7.499 7.499 7.433 0.066 18231 5263 1 11 . 1 1 33 33 LEU N N 33 119.432 119.432 119.488 -0.056 18231 5264 1 11 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.106 -0.188 18231 5265 1 11 . 1 1 33 33 LEU C C 33 175.740 175.740 178.016 -2.276 18231 5266 1 11 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.501 -0.232 18231 5267 1 11 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.177 -0.196 18231 5268 1 11 . 1 1 33 33 LEU H H 33 9.062 9.062 8.326 0.736 18231 5269 1 11 . 1 1 34 34 LYS N N 34 119.090 119.090 120.628 -1.538 18231 5270 1 11 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.864 -0.210 18231 5271 1 11 . 1 1 34 34 LYS C C 34 175.916 175.916 178.496 -2.580 18231 5272 1 11 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.132 0.152 18231 5273 1 11 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.202 -0.802 18231 5274 1 11 . 1 1 34 34 LYS H H 34 8.236 8.236 8.442 -0.206 18231 5275 1 11 . 1 1 35 35 GLU N N 35 117.482 117.482 118.680 -1.198 18231 5276 1 11 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.031 -0.034 18231 5277 1 11 . 1 1 35 35 GLU C C 35 174.549 174.549 178.781 -4.232 18231 5278 1 11 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.092 0.137 18231 5279 1 11 . 1 1 35 35 GLU CB C 35 28.833 28.833 28.909 -0.076 18231 5280 1 11 . 1 1 35 35 GLU H H 35 7.734 7.734 7.639 0.095 18231 5281 1 11 . 1 1 36 36 LEU N N 36 124.601 124.601 119.890 4.711 18231 5282 1 11 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.846 -1.158 18231 5283 1 11 . 1 1 36 36 LEU C C 36 174.780 174.780 179.063 -4.283 18231 5284 1 11 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.809 1.518 18231 5285 1 11 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.908 0.726 18231 5286 1 11 . 1 1 36 36 LEU H H 36 8.308 8.308 7.131 1.177 18231 5287 1 11 . 1 1 37 37 LEU N N 37 118.901 118.901 118.830 0.071 18231 5288 1 11 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.914 -0.181 18231 5289 1 11 . 1 1 37 37 LEU C C 37 174.771 174.771 179.246 -4.475 18231 5290 1 11 . 1 1 37 37 LEU CA C 37 57.913 57.913 58.065 -0.152 18231 5291 1 11 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.246 0.040 18231 5292 1 11 . 1 1 37 37 LEU H H 37 8.663 8.663 8.237 0.426 18231 5293 1 11 . 1 1 38 38 GLN N N 38 114.582 114.582 118.836 -4.254 18231 5294 1 11 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.030 -0.073 18231 5295 1 11 . 1 1 38 38 GLN C C 38 175.747 175.747 177.756 -2.009 18231 5296 1 11 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.953 -0.782 18231 5297 1 11 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.898 -0.269 18231 5298 1 11 . 1 1 38 38 GLN H H 38 8.507 8.507 8.221 0.286 18231 5299 1 11 . 1 1 39 39 THR N N 39 110.227 110.227 113.389 -3.162 18231 5300 1 11 . 1 1 39 39 THR HA H 39 4.252 4.252 3.804 0.448 18231 5301 1 11 . 1 1 39 39 THR C C 39 176.966 176.966 175.908 1.058 18231 5302 1 11 . 1 1 39 39 THR CA C 39 64.485 64.485 65.512 -1.027 18231 5303 1 11 . 1 1 39 39 THR CB C 39 69.254 69.254 68.753 0.501 18231 5304 1 11 . 1 1 39 39 THR H H 39 7.845 7.845 8.052 -0.207 18231 5305 1 11 . 1 1 40 40 GLU N N 40 117.400 117.400 120.318 -2.918 18231 5306 1 11 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.173 -0.023 18231 5307 1 11 . 1 1 40 40 GLU C C 40 177.343 177.343 176.708 0.635 18231 5308 1 11 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.208 -1.639 18231 5309 1 11 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.013 -0.432 18231 5310 1 11 . 1 1 40 40 GLU H H 40 8.460 8.460 8.003 0.457 18231 5311 1 11 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.593 0.434 18231 5312 1 11 . 1 1 41 41 LEU C C 41 176.458 176.458 177.846 -1.388 18231 5313 1 11 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.785 -1.350 18231 5314 1 11 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.313 0.994 18231 5315 1 11 . 1 1 42 42 SER N N 42 116.528 116.528 119.662 -3.134 18231 5316 1 11 . 1 1 42 42 SER HA H 42 4.062 4.062 4.448 -0.386 18231 5317 1 11 . 1 1 42 42 SER CA C 42 61.213 61.213 61.320 -0.107 18231 5318 1 11 . 1 1 42 42 SER CB C 42 62.378 62.378 62.990 -0.612 18231 5319 1 11 . 1 1 42 42 SER H H 42 8.246 8.246 9.075 -0.829 18231 5320 1 11 . 1 1 43 43 GLY N N 43 111.367 111.367 108.574 2.793 18231 5321 1 11 . 1 1 43 43 GLY C C 43 177.750 177.750 175.827 1.923 18231 5322 1 11 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.321 -0.583 18231 5323 1 11 . 1 1 43 43 GLY H H 43 8.850 8.850 8.650 0.200 18231 5324 1 11 . 1 1 44 44 PHE N N 44 122.213 122.213 121.385 0.828 18231 5325 1 11 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.135 0.228 18231 5326 1 11 . 1 1 44 44 PHE C C 44 176.428 176.428 177.342 -0.914 18231 5327 1 11 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.545 -0.032 18231 5328 1 11 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.175 1.157 18231 5329 1 11 . 1 1 44 44 PHE H H 44 7.936 7.936 8.093 -0.157 18231 5330 1 11 . 1 1 45 45 LEU N N 45 119.395 119.395 120.029 -0.634 18231 5331 1 11 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.426 0.605 18231 5332 1 11 . 1 1 45 45 LEU C C 45 177.212 177.212 178.233 -1.021 18231 5333 1 11 . 1 1 45 45 LEU CA C 45 57.368 57.368 56.948 0.420 18231 5334 1 11 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.886 -0.846 18231 5335 1 11 . 1 1 45 45 LEU H H 45 8.133 8.133 6.663 1.470 18231 5336 1 11 . 1 1 46 46 ASP N N 46 117.384 117.384 116.694 0.690 18231 5337 1 11 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.736 -0.354 18231 5338 1 11 . 1 1 46 46 ASP C C 46 176.684 176.684 176.696 -0.012 18231 5339 1 11 . 1 1 46 46 ASP CA C 46 55.312 55.312 54.738 0.574 18231 5340 1 11 . 1 1 46 46 ASP CB C 46 40.540 40.540 40.460 0.080 18231 5341 1 11 . 1 1 46 46 ASP H H 46 8.139 8.139 8.273 -0.134 18231 5342 1 11 . 1 1 47 47 ALA N N 47 121.052 121.052 122.533 -1.481 18231 5343 1 11 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.076 0.088 18231 5344 1 11 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.678 -2.133 18231 5345 1 11 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.561 -0.212 18231 5346 1 11 . 1 1 47 47 ALA H H 47 7.637 7.637 7.752 -0.115 18231 5347 1 11 . 1 1 48 48 GLN N N 48 116.271 116.271 117.074 -0.803 18231 5348 1 11 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.003 0.138 18231 5349 1 11 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.434 -3.455 18231 5350 1 11 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.376 -0.305 18231 5351 1 11 . 1 1 48 48 GLN H H 48 7.661 7.661 8.434 -0.773 18231 5352 1 11 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.084 0.045 18231 5353 1 11 . 1 1 49 49 LYS C C 49 177.345 177.345 178.150 -0.805 18231 5354 1 11 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.833 -2.586 18231 5355 1 11 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.451 -0.671 18231 5356 1 11 . 1 1 50 50 ASP N N 50 118.526 118.526 118.371 0.155 18231 5357 1 11 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.848 -0.191 18231 5358 1 11 . 1 1 50 50 ASP C C 50 177.422 177.422 177.339 0.083 18231 5359 1 11 . 1 1 50 50 ASP CA C 50 53.834 53.834 54.240 -0.406 18231 5360 1 11 . 1 1 50 50 ASP CB C 50 41.689 41.689 40.745 0.944 18231 5361 1 11 . 1 1 50 50 ASP H H 50 7.975 7.975 7.650 0.325 18231 5362 1 11 . 1 1 51 51 VAL N N 51 120.868 120.868 121.507 -0.639 18231 5363 1 11 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.694 0.286 18231 5364 1 11 . 1 1 51 51 VAL C C 51 177.212 177.212 176.895 0.317 18231 5365 1 11 . 1 1 51 51 VAL CA C 51 63.349 63.349 66.288 -2.939 18231 5366 1 11 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.147 -0.411 18231 5367 1 11 . 1 1 51 51 VAL H H 51 8.225 8.225 7.346 0.879 18231 5368 1 11 . 1 1 52 52 ASP N N 52 121.054 121.054 120.014 1.040 18231 5369 1 11 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.311 0.467 18231 5370 1 11 . 1 1 52 52 ASP C C 52 176.912 176.912 177.970 -1.058 18231 5371 1 11 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.284 -3.895 18231 5372 1 11 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.883 0.189 18231 5373 1 11 . 1 1 52 52 ASP H H 52 8.403 8.403 8.598 -0.195 18231 5374 1 11 . 1 1 53 53 ALA N N 53 123.449 123.449 122.409 1.040 18231 5375 1 11 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.123 -0.186 18231 5376 1 11 . 1 1 53 53 ALA C C 53 174.124 174.124 179.550 -5.426 18231 5377 1 11 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.946 0.017 18231 5378 1 11 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.171 0.702 18231 5379 1 11 . 1 1 53 53 ALA H H 53 7.757 7.757 8.036 -0.279 18231 5380 1 11 . 1 1 54 54 VAL N N 54 116.105 116.105 115.093 1.012 18231 5381 1 11 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.652 -0.194 18231 5382 1 11 . 1 1 54 54 VAL C C 54 176.953 176.953 177.118 -0.165 18231 5383 1 11 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.035 -0.140 18231 5384 1 11 . 1 1 54 54 VAL CB C 54 30.580 30.580 30.788 -0.208 18231 5385 1 11 . 1 1 54 54 VAL H H 54 8.281 8.281 7.961 0.320 18231 5386 1 11 . 1 1 55 55 ASP N N 55 120.466 120.466 121.107 -0.641 18231 5387 1 11 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.403 -0.238 18231 5388 1 11 . 1 1 55 55 ASP C C 55 174.997 174.997 178.599 -3.602 18231 5389 1 11 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.594 -0.394 18231 5390 1 11 . 1 1 55 55 ASP CB C 55 40.520 40.520 39.855 0.665 18231 5391 1 11 . 1 1 55 55 ASP H H 55 7.667 7.667 8.200 -0.533 18231 5392 1 11 . 1 1 56 56 LYS N N 56 119.065 119.065 120.308 -1.243 18231 5393 1 11 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.071 -0.092 18231 5394 1 11 . 1 1 56 56 LYS C C 56 174.602 174.602 179.174 -4.572 18231 5395 1 11 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.371 -0.826 18231 5396 1 11 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.551 -0.951 18231 5397 1 11 . 1 1 56 56 LYS H H 56 7.628 7.628 7.322 0.306 18231 5398 1 11 . 1 1 57 57 VAL N N 57 119.756 119.756 120.420 -0.664 18231 5399 1 11 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.642 0.085 18231 5400 1 11 . 1 1 57 57 VAL C C 57 175.782 175.782 177.938 -2.156 18231 5401 1 11 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.863 -1.264 18231 5402 1 11 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.922 -0.675 18231 5403 1 11 . 1 1 57 57 VAL H H 57 7.920 7.920 8.161 -0.241 18231 5404 1 11 . 1 1 58 58 MET N N 58 118.541 118.541 119.524 -0.983 18231 5405 1 11 . 1 1 58 58 MET HA H 58 3.936 3.936 4.015 -0.079 18231 5406 1 11 . 1 1 58 58 MET C C 58 176.330 176.330 177.491 -1.161 18231 5407 1 11 . 1 1 58 58 MET CA C 58 58.620 58.620 59.194 -0.574 18231 5408 1 11 . 1 1 58 58 MET CB C 58 32.002 32.002 32.467 -0.465 18231 5409 1 11 . 1 1 58 58 MET H H 58 8.426 8.426 8.451 -0.025 18231 5410 1 11 . 1 1 59 59 LYS N N 59 116.084 116.084 119.159 -3.075 18231 5411 1 11 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.937 -0.000 18231 5412 1 11 . 1 1 59 59 LYS C C 59 176.918 176.918 178.553 -1.635 18231 5413 1 11 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.614 -0.939 18231 5414 1 11 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.383 0.219 18231 5415 1 11 . 1 1 59 59 LYS H H 59 7.623 7.623 7.814 -0.191 18231 5416 1 11 . 1 1 60 60 GLU N N 60 117.227 117.227 116.962 0.265 18231 5417 1 11 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.110 -0.055 18231 5418 1 11 . 1 1 60 60 GLU C C 60 175.146 175.146 178.380 -3.234 18231 5419 1 11 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.498 -0.467 18231 5420 1 11 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.879 -0.564 18231 5421 1 11 . 1 1 60 60 GLU H H 60 7.592 7.592 7.586 0.006 18231 5422 1 11 . 1 1 61 61 LEU N N 61 116.051 116.051 119.197 -3.146 18231 5423 1 11 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.138 0.225 18231 5424 1 11 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.523 -1.665 18231 5425 1 11 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.794 0.784 18231 5426 1 11 . 1 1 61 61 LEU H H 61 8.045 8.045 7.531 0.514 18231 5427 1 11 . 1 1 62 62 ASP N N 62 116.891 116.891 116.776 0.115 18231 5428 1 11 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.973 -0.273 18231 5429 1 11 . 1 1 62 62 ASP C C 62 176.806 176.806 176.438 0.368 18231 5430 1 11 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.572 -0.456 18231 5431 1 11 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.729 -2.078 18231 5432 1 11 . 1 1 62 62 ASP H H 62 8.008 8.008 7.906 0.102 18231 5433 1 11 . 1 1 63 63 GLU N N 63 129.185 129.185 127.725 1.460 18231 5434 1 11 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.129 -0.075 18231 5435 1 11 . 1 1 63 63 GLU C C 63 175.826 175.826 177.542 -1.716 18231 5436 1 11 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.524 -0.206 18231 5437 1 11 . 1 1 63 63 GLU CB C 63 30.218 30.218 30.104 0.114 18231 5438 1 11 . 1 1 63 63 GLU H H 63 8.347 8.347 8.655 -0.308 18231 5439 1 11 . 1 1 64 64 ASN N N 64 112.618 112.618 114.857 -2.239 18231 5440 1 11 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.749 -0.001 18231 5441 1 11 . 1 1 64 64 ASN C C 64 176.855 176.855 175.869 0.986 18231 5442 1 11 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.398 -0.772 18231 5443 1 11 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.304 -1.431 18231 5444 1 11 . 1 1 64 64 ASN H H 64 7.978 7.978 7.931 0.047 18231 5445 1 11 . 1 1 65 65 GLY N N 65 109.111 109.111 108.662 0.449 18231 5446 1 11 . 1 1 65 65 GLY C C 65 178.426 178.426 175.113 3.313 18231 5447 1 11 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.230 0.809 18231 5448 1 11 . 1 1 65 65 GLY H H 65 7.543 7.543 7.864 -0.321 18231 5449 1 11 . 1 1 66 66 ASP N N 66 119.205 119.205 119.750 -0.545 18231 5450 1 11 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.359 0.182 18231 5451 1 11 . 1 1 66 66 ASP C C 66 176.015 176.015 177.925 -1.910 18231 5452 1 11 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.627 -1.788 18231 5453 1 11 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.284 -1.408 18231 5454 1 11 . 1 1 66 66 ASP H H 66 8.113 8.113 8.401 -0.288 18231 5455 1 11 . 1 1 67 67 GLY N N 67 113.254 113.254 108.714 4.540 18231 5456 1 11 . 1 1 67 67 GLY C C 67 180.780 180.780 173.442 7.338 18231 5457 1 11 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.992 0.221 18231 5458 1 11 . 1 1 67 67 GLY H H 67 10.267 10.267 9.158 1.109 18231 5459 1 11 . 1 1 68 68 GLU N N 68 116.975 116.975 119.180 -2.205 18231 5460 1 11 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.721 0.089 18231 5461 1 11 . 1 1 68 68 GLU C C 68 178.130 178.130 174.573 3.557 18231 5462 1 11 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.685 -0.555 18231 5463 1 11 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.541 2.211 18231 5464 1 11 . 1 1 68 68 GLU H H 68 7.714 7.714 8.919 -1.205 18231 5465 1 11 . 1 1 69 69 VAL N N 69 125.146 125.146 121.118 4.028 18231 5466 1 11 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.614 0.635 18231 5467 1 11 . 1 1 69 69 VAL C C 69 177.413 177.413 174.820 2.593 18231 5468 1 11 . 1 1 69 69 VAL CA C 69 60.702 60.702 60.284 0.418 18231 5469 1 11 . 1 1 69 69 VAL CB C 69 33.487 33.487 32.979 0.508 18231 5470 1 11 . 1 1 69 69 VAL H H 69 9.389 9.389 7.883 1.506 18231 5471 1 11 . 1 1 70 70 ASP N N 70 129.202 129.202 125.579 3.623 18231 5472 1 11 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.019 0.150 18231 5473 1 11 . 1 1 70 70 ASP C C 70 178.332 178.332 176.900 1.432 18231 5474 1 11 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.610 0.535 18231 5475 1 11 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.314 -3.217 18231 5476 1 11 . 1 1 70 70 ASP H H 70 9.109 9.109 8.212 0.897 18231 5477 1 11 . 1 1 71 71 PHE N N 71 118.298 118.298 125.035 -6.737 18231 5478 1 11 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.953 -1.026 18231 5479 1 11 . 1 1 71 71 PHE C C 71 176.763 176.763 176.860 -0.097 18231 5480 1 11 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.812 1.240 18231 5481 1 11 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.855 0.134 18231 5482 1 11 . 1 1 71 71 PHE H H 71 8.938 8.938 8.738 0.200 18231 5483 1 11 . 1 1 72 72 GLN N N 72 116.762 116.762 117.669 -0.907 18231 5484 1 11 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.751 -0.057 18231 5485 1 11 . 1 1 72 72 GLN C C 72 175.208 175.208 178.142 -2.934 18231 5486 1 11 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.354 -0.135 18231 5487 1 11 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.252 -0.445 18231 5488 1 11 . 1 1 72 72 GLN H H 72 7.997 7.997 8.565 -0.568 18231 5489 1 11 . 1 1 73 73 GLU N N 73 120.146 120.146 120.145 0.001 18231 5490 1 11 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.970 0.126 18231 5491 1 11 . 1 1 73 73 GLU C C 73 174.746 174.746 178.708 -3.962 18231 5492 1 11 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.348 -1.244 18231 5493 1 11 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.652 0.194 18231 5494 1 11 . 1 1 73 73 GLU H H 73 8.289 8.289 7.757 0.532 18231 5495 1 11 . 1 1 74 74 TYR N N 74 121.506 121.506 121.422 0.084 18231 5496 1 11 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.127 -0.014 18231 5497 1 11 . 1 1 74 74 TYR C C 74 176.925 176.925 177.594 -0.669 18231 5498 1 11 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.263 -2.162 18231 5499 1 11 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.594 -1.222 18231 5500 1 11 . 1 1 74 74 TYR H H 74 8.324 8.324 8.310 0.014 18231 5501 1 11 . 1 1 75 75 VAL N N 75 120.725 120.725 116.751 3.974 18231 5502 1 11 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.308 -0.435 18231 5503 1 11 . 1 1 75 75 VAL C C 75 176.738 176.738 177.405 -0.667 18231 5504 1 11 . 1 1 75 75 VAL CA C 75 65.880 65.880 65.259 0.621 18231 5505 1 11 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.273 0.727 18231 5506 1 11 . 1 1 75 75 VAL H H 75 8.074 8.074 8.168 -0.094 18231 5507 1 11 . 1 1 76 76 VAL N N 76 120.118 120.118 120.744 -0.626 18231 5508 1 11 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.499 -0.079 18231 5509 1 11 . 1 1 76 76 VAL C C 76 174.620 174.620 177.899 -3.279 18231 5510 1 11 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.351 0.058 18231 5511 1 11 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.428 -0.652 18231 5512 1 11 . 1 1 76 76 VAL H H 76 7.119 7.119 7.125 -0.006 18231 5513 1 11 . 1 1 77 77 LEU N N 77 120.709 120.709 120.545 0.164 18231 5514 1 11 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.032 -0.002 18231 5515 1 11 . 1 1 77 77 LEU C C 77 175.943 175.943 178.540 -2.597 18231 5516 1 11 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.171 -1.231 18231 5517 1 11 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.843 -0.735 18231 5518 1 11 . 1 1 77 77 LEU H H 77 6.865 6.865 8.013 -1.148 18231 5519 1 11 . 1 1 78 78 VAL N N 78 116.930 116.930 116.107 0.823 18231 5520 1 11 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.511 -0.371 18231 5521 1 11 . 1 1 78 78 VAL C C 78 174.150 174.150 177.321 -3.171 18231 5522 1 11 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.603 0.775 18231 5523 1 11 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.340 -0.111 18231 5524 1 11 . 1 1 78 78 VAL H H 78 7.539 7.539 8.046 -0.507 18231 5525 1 11 . 1 1 79 79 ALA N N 79 124.551 124.551 122.965 1.586 18231 5526 1 11 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.899 -0.207 18231 5527 1 11 . 1 1 79 79 ALA C C 79 175.111 175.111 179.192 -4.081 18231 5528 1 11 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.188 0.304 18231 5529 1 11 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.980 -0.517 18231 5530 1 11 . 1 1 79 79 ALA H H 79 8.918 8.918 8.200 0.718 18231 5531 1 11 . 1 1 80 80 ALA N N 80 120.223 120.223 120.949 -0.726 18231 5532 1 11 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.141 -0.076 18231 5533 1 11 . 1 1 80 80 ALA C C 80 171.473 171.473 179.335 -7.862 18231 5534 1 11 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.502 0.424 18231 5535 1 11 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.451 -1.025 18231 5536 1 11 . 1 1 80 80 ALA H H 80 7.760 7.760 7.706 0.054 18231 5537 1 11 . 1 1 81 81 LEU N N 81 119.090 119.090 119.949 -0.859 18231 5538 1 11 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.966 0.122 18231 5539 1 11 . 1 1 81 81 LEU C C 81 174.008 174.008 178.569 -4.561 18231 5540 1 11 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.756 -0.099 18231 5541 1 11 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.663 0.568 18231 5542 1 11 . 1 1 81 81 LEU H H 81 8.542 8.542 8.069 0.473 18231 5543 1 11 . 1 1 82 82 THR N N 82 119.585 119.585 114.086 5.499 18231 5544 1 11 . 1 1 82 82 THR HA H 82 4.332 4.332 3.910 0.422 18231 5545 1 11 . 1 1 82 82 THR C C 82 176.758 176.758 176.576 0.182 18231 5546 1 11 . 1 1 82 82 THR CA C 82 67.286 67.286 66.308 0.978 18231 5547 1 11 . 1 1 82 82 THR CB C 82 68.127 68.127 68.621 -0.494 18231 5548 1 11 . 1 1 82 82 THR H H 82 8.421 8.421 8.048 0.373 18231 5549 1 11 . 1 1 83 83 VAL N N 83 121.934 121.934 120.367 1.567 18231 5550 1 11 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.766 -0.051 18231 5551 1 11 . 1 1 83 83 VAL C C 83 175.556 175.556 177.873 -2.317 18231 5552 1 11 . 1 1 83 83 VAL CA C 83 66.903 66.903 65.888 1.015 18231 5553 1 11 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.305 0.241 18231 5554 1 11 . 1 1 83 83 VAL H H 83 8.077 8.077 7.449 0.628 18231 5555 1 11 . 1 1 84 84 ALA N N 84 121.367 121.367 122.585 -1.218 18231 5556 1 11 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.155 0.046 18231 5557 1 11 . 1 1 84 84 ALA C C 84 173.936 173.936 179.698 -5.762 18231 5558 1 11 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.268 0.012 18231 5559 1 11 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.981 -0.374 18231 5560 1 11 . 1 1 84 84 ALA H H 84 7.835 7.835 8.250 -0.415 18231 5561 1 11 . 1 1 85 85 CYS N N 85 116.731 116.731 116.181 0.550 18231 5562 1 11 . 1 1 85 85 CYS HA H 85 4.237 4.237 3.806 0.431 18231 5563 1 11 . 1 1 85 85 CYS CA C 85 56.651 56.651 63.870 -7.219 18231 5564 1 11 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.166 11.804 18231 5565 1 11 . 1 1 85 85 CYS H H 85 8.244 8.244 8.175 0.069 18231 5566 1 11 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.472 -0.089 18231 5567 1 11 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.427 -1.448 18231 5568 1 11 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.380 2.111 18231 5569 1 11 . 1 1 87 87 ASN N N 87 120.372 120.372 119.122 1.250 18231 5570 1 11 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.792 -0.395 18231 5571 1 11 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.111 -1.142 18231 5572 1 11 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.340 -0.952 18231 5573 1 11 . 1 1 87 87 ASN H H 87 7.539 7.539 7.782 -0.243 18231 5574 1 11 . 1 1 88 88 PHE N N 88 118.684 118.684 119.466 -0.782 18231 5575 1 11 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.339 0.033 18231 5576 1 11 . 1 1 88 88 PHE C C 88 177.050 177.050 178.159 -1.109 18231 5577 1 11 . 1 1 88 88 PHE CA C 88 59.373 59.373 60.659 -1.286 18231 5578 1 11 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.546 0.473 18231 5579 1 11 . 1 1 88 88 PHE H H 88 7.862 7.862 8.684 -0.822 18231 5580 1 11 . 1 1 89 89 PHE N N 89 118.515 118.515 120.570 -2.055 18231 5581 1 11 . 1 1 89 89 PHE HA H 89 4.288 4.288 3.996 0.292 18231 5582 1 11 . 1 1 89 89 PHE CA C 89 59.258 59.258 62.025 -2.767 18231 5583 1 11 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.851 0.381 18231 5584 1 11 . 1 1 89 89 PHE H H 89 7.898 7.898 7.945 -0.047 18231 5585 1 11 . 1 1 90 90 TRP N N 90 118.964 118.964 118.143 0.821 18231 5586 1 11 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.318 0.167 18231 5587 1 11 . 1 1 90 90 TRP C C 90 174.481 174.481 178.345 -3.864 18231 5588 1 11 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.206 -1.835 18231 5589 1 11 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.536 -0.260 18231 5590 1 11 . 1 1 90 90 TRP H H 90 7.773 7.773 7.660 0.113 18231 5591 1 11 . 1 1 91 91 GLU N N 91 120.150 120.150 118.913 1.237 18231 5592 1 11 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.006 0.051 18231 5593 1 11 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.805 0.172 18231 5594 1 11 . 1 1 91 91 GLU CB C 91 30.094 30.094 30.012 0.082 18231 5595 1 11 . 1 1 91 91 GLU H H 91 7.812 7.812 7.665 0.147 18231 5596 1 11 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.266 0.402 18231 5597 1 11 . 1 1 92 92 ASN C C 92 175.577 175.577 174.858 0.719 18231 5598 1 11 . 1 1 92 92 ASN CA C 92 52.806 52.806 53.576 -0.770 18231 5599 1 11 . 1 1 92 92 ASN CB C 92 38.795 38.795 37.095 1.700 18231 5600 1 12 . 1 1 2 2 SER N N 2 118.234 118.234 116.722 1.512 18231 5601 1 12 . 1 1 2 2 SER HA H 2 4.750 4.750 4.787 -0.037 18231 5602 1 12 . 1 1 2 2 SER C C 2 178.105 178.105 175.555 2.550 18231 5603 1 12 . 1 1 2 2 SER CA C 2 57.133 57.133 57.218 -0.085 18231 5604 1 12 . 1 1 2 2 SER CB C 2 64.624 64.624 65.321 -0.697 18231 5605 1 12 . 1 1 2 2 SER H H 2 9.007 9.007 8.488 0.519 18231 5606 1 12 . 1 1 3 3 GLU N N 3 123.466 123.466 126.075 -2.609 18231 5607 1 12 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.063 0.076 18231 5608 1 12 . 1 1 3 3 GLU C C 3 173.854 173.854 178.078 -4.224 18231 5609 1 12 . 1 1 3 3 GLU CA C 3 60.110 60.110 59.118 0.992 18231 5610 1 12 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.578 -0.678 18231 5611 1 12 . 1 1 3 3 GLU H H 3 9.436 9.436 9.031 0.405 18231 5612 1 12 . 1 1 4 4 LEU N N 4 119.878 119.878 119.915 -0.037 18231 5613 1 12 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.019 0.067 18231 5614 1 12 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.967 -0.058 18231 5615 1 12 . 1 1 4 4 LEU CB C 4 41.405 41.405 42.081 -0.676 18231 5616 1 12 . 1 1 4 4 LEU H H 4 8.891 8.891 7.602 1.289 18231 5617 1 12 . 1 1 5 5 GLU HA H 5 4.011 4.011 3.998 0.013 18231 5618 1 12 . 1 1 5 5 GLU C C 5 173.709 173.709 178.872 -5.163 18231 5619 1 12 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.516 0.080 18231 5620 1 12 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.415 -0.360 18231 5621 1 12 . 1 1 6 6 THR N N 6 116.614 116.614 116.050 0.564 18231 5622 1 12 . 1 1 6 6 THR HA H 6 4.019 4.019 4.070 -0.051 18231 5623 1 12 . 1 1 6 6 THR C C 6 176.965 176.965 176.219 0.746 18231 5624 1 12 . 1 1 6 6 THR CA C 6 66.175 66.175 66.481 -0.306 18231 5625 1 12 . 1 1 6 6 THR CB C 6 68.280 68.280 68.738 -0.458 18231 5626 1 12 . 1 1 6 6 THR H H 6 8.316 8.316 7.505 0.811 18231 5627 1 12 . 1 1 7 7 ALA N N 7 126.118 126.118 125.072 1.046 18231 5628 1 12 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.114 0.022 18231 5629 1 12 . 1 1 7 7 ALA C C 7 173.544 173.544 179.636 -6.092 18231 5630 1 12 . 1 1 7 7 ALA CA C 7 54.838 54.838 55.108 -0.271 18231 5631 1 12 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.223 -0.773 18231 5632 1 12 . 1 1 7 7 ALA H H 7 8.167 8.167 7.847 0.320 18231 5633 1 12 . 1 1 8 8 MET N N 8 117.610 117.610 116.826 0.784 18231 5634 1 12 . 1 1 8 8 MET HA H 8 4.174 4.174 4.061 0.113 18231 5635 1 12 . 1 1 8 8 MET C C 8 175.513 175.513 178.779 -3.266 18231 5636 1 12 . 1 1 8 8 MET CA C 8 61.988 61.988 59.446 2.542 18231 5637 1 12 . 1 1 8 8 MET CB C 8 26.277 26.277 32.570 -6.293 18231 5638 1 12 . 1 1 8 8 MET H H 8 8.286 8.286 7.588 0.698 18231 5639 1 12 . 1 1 9 9 GLU N N 9 117.751 117.751 118.594 -0.843 18231 5640 1 12 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.042 -0.122 18231 5641 1 12 . 1 1 9 9 GLU C C 9 174.479 174.479 179.024 -4.545 18231 5642 1 12 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.494 -0.075 18231 5643 1 12 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.603 -0.589 18231 5644 1 12 . 1 1 9 9 GLU H H 9 8.055 8.055 7.723 0.332 18231 5645 1 12 . 1 1 10 10 THR N N 10 117.936 117.936 114.584 3.352 18231 5646 1 12 . 1 1 10 10 THR HA H 10 4.083 4.083 4.062 0.021 18231 5647 1 12 . 1 1 10 10 THR C C 10 177.781 177.781 176.832 0.949 18231 5648 1 12 . 1 1 10 10 THR CA C 10 66.869 66.869 66.201 0.668 18231 5649 1 12 . 1 1 10 10 THR CB C 10 67.663 67.663 68.728 -1.065 18231 5650 1 12 . 1 1 10 10 THR H H 10 8.398 8.398 8.268 0.130 18231 5651 1 12 . 1 1 11 11 LEU N N 11 119.632 119.632 121.863 -2.231 18231 5652 1 12 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.248 -0.292 18231 5653 1 12 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.404 0.464 18231 5654 1 12 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.113 0.484 18231 5655 1 12 . 1 1 11 11 LEU H H 11 8.134 8.134 7.593 0.541 18231 5656 1 12 . 1 1 12 12 ILE N N 12 119.532 119.532 120.157 -0.625 18231 5657 1 12 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.027 0.941 18231 5658 1 12 . 1 1 12 12 ILE C C 12 175.378 175.378 177.922 -2.544 18231 5659 1 12 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.494 -0.122 18231 5660 1 12 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.287 1.645 18231 5661 1 12 . 1 1 12 12 ILE H H 12 7.751 7.751 7.712 0.039 18231 5662 1 12 . 1 1 13 13 ASN N N 13 121.617 121.617 118.956 2.661 18231 5663 1 12 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.590 -0.063 18231 5664 1 12 . 1 1 13 13 ASN C C 13 174.457 174.457 178.007 -3.550 18231 5665 1 12 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.305 -0.245 18231 5666 1 12 . 1 1 13 13 ASN CB C 13 37.657 37.657 37.902 -0.245 18231 5667 1 12 . 1 1 13 13 ASN H H 13 9.012 9.012 8.246 0.766 18231 5668 1 12 . 1 1 14 14 VAL N N 14 120.538 120.538 120.254 0.284 18231 5669 1 12 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.452 0.363 18231 5670 1 12 . 1 1 14 14 VAL C C 14 176.194 176.194 177.470 -1.276 18231 5671 1 12 . 1 1 14 14 VAL CA C 14 66.080 66.080 66.723 -0.643 18231 5672 1 12 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.411 0.160 18231 5673 1 12 . 1 1 14 14 VAL H H 14 8.951 8.951 8.317 0.634 18231 5674 1 12 . 1 1 15 15 PHE N N 15 117.397 117.397 121.581 -4.184 18231 5675 1 12 . 1 1 15 15 PHE HA H 15 3.469 3.469 3.959 -0.490 18231 5676 1 12 . 1 1 15 15 PHE C C 15 176.028 176.028 177.799 -1.771 18231 5677 1 12 . 1 1 15 15 PHE CA C 15 62.163 62.163 61.592 0.571 18231 5678 1 12 . 1 1 15 15 PHE CB C 15 38.935 38.935 38.978 -0.043 18231 5679 1 12 . 1 1 15 15 PHE H H 15 6.953 6.953 8.408 -1.455 18231 5680 1 12 . 1 1 16 16 HIS N N 16 115.032 115.032 117.859 -2.827 18231 5681 1 12 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.212 0.624 18231 5682 1 12 . 1 1 16 16 HIS C C 16 176.028 176.028 177.817 -1.789 18231 5683 1 12 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.732 -1.715 18231 5684 1 12 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.500 -1.219 18231 5685 1 12 . 1 1 16 16 HIS H H 16 7.736 7.736 8.331 -0.595 18231 5686 1 12 . 1 1 17 17 ALA N N 17 123.252 123.252 121.763 1.489 18231 5687 1 12 . 1 1 17 17 ALA HA H 17 4.048 4.048 4.008 0.040 18231 5688 1 12 . 1 1 17 17 ALA C C 17 174.507 174.507 179.685 -5.178 18231 5689 1 12 . 1 1 17 17 ALA CA C 17 53.695 53.695 55.047 -1.352 18231 5690 1 12 . 1 1 17 17 ALA CB C 17 17.354 17.354 18.101 -0.747 18231 5691 1 12 . 1 1 17 17 ALA H H 17 8.070 8.070 8.236 -0.166 18231 5692 1 12 . 1 1 18 18 HIS N N 18 113.812 113.812 117.173 -3.361 18231 5693 1 12 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.197 0.193 18231 5694 1 12 . 1 1 18 18 HIS C C 18 177.747 177.747 178.613 -0.866 18231 5695 1 12 . 1 1 18 18 HIS CA C 18 56.935 56.935 58.031 -1.096 18231 5696 1 12 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.867 2.273 18231 5697 1 12 . 1 1 18 18 HIS H H 18 7.043 7.043 8.175 -1.132 18231 5698 1 12 . 1 1 19 19 SER N N 19 113.634 113.634 116.767 -3.133 18231 5699 1 12 . 1 1 19 19 SER HA H 19 3.673 3.673 4.145 -0.472 18231 5700 1 12 . 1 1 19 19 SER C C 19 176.511 176.511 176.747 -0.236 18231 5701 1 12 . 1 1 19 19 SER CA C 19 60.926 60.926 61.454 -0.528 18231 5702 1 12 . 1 1 19 19 SER CB C 19 60.919 60.919 62.731 -1.812 18231 5703 1 12 . 1 1 19 19 SER H H 19 8.489 8.489 8.322 0.167 18231 5704 1 12 . 1 1 20 20 GLY N N 20 111.572 111.572 109.025 2.547 18231 5705 1 12 . 1 1 20 20 GLY C C 20 179.798 179.798 175.399 4.399 18231 5706 1 12 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.414 -1.322 18231 5707 1 12 . 1 1 20 20 GLY H H 20 7.734 7.734 8.211 -0.477 18231 5708 1 12 . 1 1 21 21 LYS N N 21 122.204 122.204 121.590 0.614 18231 5709 1 12 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.070 -0.146 18231 5710 1 12 . 1 1 21 21 LYS C C 21 176.162 176.162 177.059 -0.897 18231 5711 1 12 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.575 0.521 18231 5712 1 12 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.723 -0.823 18231 5713 1 12 . 1 1 21 21 LYS H H 21 7.196 7.196 7.751 -0.555 18231 5714 1 12 . 1 1 22 22 GLU N N 22 115.840 115.840 118.545 -2.705 18231 5715 1 12 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.514 0.153 18231 5716 1 12 . 1 1 22 22 GLU C C 22 176.511 176.511 175.747 0.764 18231 5717 1 12 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.115 -1.334 18231 5718 1 12 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.373 3.268 18231 5719 1 12 . 1 1 22 22 GLU H H 22 9.363 9.363 7.655 1.708 18231 5720 1 12 . 1 1 23 23 GLY N N 23 111.558 111.558 110.204 1.354 18231 5721 1 12 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.361 0.139 18231 5722 1 12 . 1 1 23 23 GLY H H 23 7.710 7.710 8.038 -0.328 18231 5723 1 12 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.289 0.119 18231 5724 1 12 . 1 1 24 24 ASP C C 24 173.495 173.495 177.030 -3.535 18231 5725 1 12 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.778 -0.061 18231 5726 1 12 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.519 2.541 18231 5727 1 12 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.898 0.389 18231 5728 1 12 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.225 -1.696 18231 5729 1 12 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.560 -1.651 18231 5730 1 12 . 1 1 26 26 TYR N N 26 119.467 119.467 114.589 4.878 18231 5731 1 12 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.708 0.003 18231 5732 1 12 . 1 1 26 26 TYR C C 26 179.682 179.682 176.160 3.522 18231 5733 1 12 . 1 1 26 26 TYR CA C 26 55.824 55.824 57.437 -1.613 18231 5734 1 12 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.063 -0.392 18231 5735 1 12 . 1 1 26 26 TYR H H 26 9.377 9.377 8.007 1.370 18231 5736 1 12 . 1 1 27 27 LYS N N 27 114.770 114.770 118.728 -3.958 18231 5737 1 12 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.709 0.413 18231 5738 1 12 . 1 1 27 27 LYS C C 27 178.721 178.721 175.519 3.202 18231 5739 1 12 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.899 -0.172 18231 5740 1 12 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.607 2.882 18231 5741 1 12 . 1 1 27 27 LYS H H 27 7.100 7.100 7.654 -0.554 18231 5742 1 12 . 1 1 28 28 LEU N N 28 125.858 125.858 126.115 -0.257 18231 5743 1 12 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.806 0.377 18231 5744 1 12 . 1 1 28 28 LEU C C 28 177.490 177.490 176.585 0.905 18231 5745 1 12 . 1 1 28 28 LEU CA C 28 52.333 52.333 54.045 -1.712 18231 5746 1 12 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.174 -1.588 18231 5747 1 12 . 1 1 28 28 LEU H H 28 9.750 9.750 8.205 1.545 18231 5748 1 12 . 1 1 29 29 SER N N 29 120.926 120.926 116.425 4.501 18231 5749 1 12 . 1 1 29 29 SER HA H 29 4.560 4.560 4.764 -0.204 18231 5750 1 12 . 1 1 29 29 SER C C 29 178.943 178.943 174.930 4.013 18231 5751 1 12 . 1 1 29 29 SER CA C 29 55.907 55.907 57.013 -1.106 18231 5752 1 12 . 1 1 29 29 SER CB C 29 65.035 65.035 65.663 -0.628 18231 5753 1 12 . 1 1 29 29 SER H H 29 9.907 9.907 8.571 1.336 18231 5754 1 12 . 1 1 30 30 LYS N N 30 120.263 120.263 125.228 -4.965 18231 5755 1 12 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.868 -0.017 18231 5756 1 12 . 1 1 30 30 LYS C C 30 175.519 175.519 178.195 -2.676 18231 5757 1 12 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.582 0.078 18231 5758 1 12 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.329 -0.591 18231 5759 1 12 . 1 1 30 30 LYS H H 30 8.838 8.838 8.974 -0.136 18231 5760 1 12 . 1 1 31 31 LYS N N 31 118.292 118.292 117.684 0.608 18231 5761 1 12 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.017 -0.095 18231 5762 1 12 . 1 1 31 31 LYS C C 31 174.664 174.664 179.214 -4.550 18231 5763 1 12 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.635 -0.337 18231 5764 1 12 . 1 1 31 31 LYS CB C 31 32.665 32.665 31.785 0.881 18231 5765 1 12 . 1 1 31 31 LYS H H 31 7.903 7.903 8.570 -0.667 18231 5766 1 12 . 1 1 32 32 GLU N N 32 119.243 119.243 119.261 -0.018 18231 5767 1 12 . 1 1 32 32 GLU HA H 32 3.907 3.907 3.977 -0.070 18231 5768 1 12 . 1 1 32 32 GLU C C 32 174.836 174.836 178.962 -4.126 18231 5769 1 12 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.154 -0.838 18231 5770 1 12 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.626 1.251 18231 5771 1 12 . 1 1 32 32 GLU H H 32 7.499 7.499 7.480 0.019 18231 5772 1 12 . 1 1 33 33 LEU N N 33 119.432 119.432 119.266 0.166 18231 5773 1 12 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.172 -0.254 18231 5774 1 12 . 1 1 33 33 LEU C C 33 175.740 175.740 177.954 -2.214 18231 5775 1 12 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.176 0.093 18231 5776 1 12 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.021 -0.040 18231 5777 1 12 . 1 1 33 33 LEU H H 33 9.062 9.062 8.316 0.746 18231 5778 1 12 . 1 1 34 34 LYS N N 34 119.090 119.090 120.773 -1.683 18231 5779 1 12 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.837 -0.183 18231 5780 1 12 . 1 1 34 34 LYS C C 34 175.916 175.916 178.341 -2.425 18231 5781 1 12 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.274 0.010 18231 5782 1 12 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.047 -0.647 18231 5783 1 12 . 1 1 34 34 LYS H H 34 8.236 8.236 8.502 -0.266 18231 5784 1 12 . 1 1 35 35 GLU N N 35 117.482 117.482 119.171 -1.689 18231 5785 1 12 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.994 0.003 18231 5786 1 12 . 1 1 35 35 GLU C C 35 174.549 174.549 178.683 -4.134 18231 5787 1 12 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.455 -0.226 18231 5788 1 12 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.338 -0.505 18231 5789 1 12 . 1 1 35 35 GLU H H 35 7.734 7.734 7.648 0.086 18231 5790 1 12 . 1 1 36 36 LEU N N 36 124.601 124.601 119.558 5.043 18231 5791 1 12 . 1 1 36 36 LEU HA H 36 2.688 2.688 4.057 -1.369 18231 5792 1 12 . 1 1 36 36 LEU C C 36 174.780 174.780 179.160 -4.380 18231 5793 1 12 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.965 1.361 18231 5794 1 12 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.218 0.417 18231 5795 1 12 . 1 1 36 36 LEU H H 36 8.308 8.308 7.404 0.904 18231 5796 1 12 . 1 1 37 37 LEU N N 37 118.901 118.901 118.691 0.210 18231 5797 1 12 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.999 -0.266 18231 5798 1 12 . 1 1 37 37 LEU C C 37 174.771 174.771 179.424 -4.653 18231 5799 1 12 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.898 0.015 18231 5800 1 12 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.271 0.015 18231 5801 1 12 . 1 1 37 37 LEU H H 37 8.663 8.663 8.350 0.313 18231 5802 1 12 . 1 1 38 38 GLN N N 38 114.582 114.582 118.291 -3.709 18231 5803 1 12 . 1 1 38 38 GLN HA H 38 3.957 3.957 3.978 -0.021 18231 5804 1 12 . 1 1 38 38 GLN C C 38 175.747 175.747 177.706 -1.959 18231 5805 1 12 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.917 -0.746 18231 5806 1 12 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.803 -0.174 18231 5807 1 12 . 1 1 38 38 GLN H H 38 8.507 8.507 8.156 0.351 18231 5808 1 12 . 1 1 39 39 THR N N 39 110.227 110.227 113.783 -3.556 18231 5809 1 12 . 1 1 39 39 THR HA H 39 4.252 4.252 3.839 0.413 18231 5810 1 12 . 1 1 39 39 THR C C 39 176.966 176.966 176.134 0.832 18231 5811 1 12 . 1 1 39 39 THR CA C 39 64.485 64.485 65.505 -1.020 18231 5812 1 12 . 1 1 39 39 THR CB C 39 69.254 69.254 68.878 0.376 18231 5813 1 12 . 1 1 39 39 THR H H 39 7.845 7.845 7.829 0.016 18231 5814 1 12 . 1 1 40 40 GLU N N 40 117.400 117.400 119.514 -2.114 18231 5815 1 12 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.170 -0.020 18231 5816 1 12 . 1 1 40 40 GLU C C 40 177.343 177.343 176.999 0.344 18231 5817 1 12 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.507 -1.938 18231 5818 1 12 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.195 -0.614 18231 5819 1 12 . 1 1 40 40 GLU H H 40 8.460 8.460 8.005 0.455 18231 5820 1 12 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.644 0.383 18231 5821 1 12 . 1 1 41 41 LEU C C 41 176.458 176.458 177.964 -1.506 18231 5822 1 12 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.889 -1.454 18231 5823 1 12 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.363 0.944 18231 5824 1 12 . 1 1 42 42 SER N N 42 116.528 116.528 120.633 -4.105 18231 5825 1 12 . 1 1 42 42 SER HA H 42 4.062 4.062 4.421 -0.359 18231 5826 1 12 . 1 1 42 42 SER CA C 42 61.213 61.213 61.601 -0.388 18231 5827 1 12 . 1 1 42 42 SER CB C 42 62.378 62.378 62.949 -0.571 18231 5828 1 12 . 1 1 42 42 SER H H 42 8.246 8.246 9.092 -0.846 18231 5829 1 12 . 1 1 43 43 GLY N N 43 111.367 111.367 109.538 1.829 18231 5830 1 12 . 1 1 43 43 GLY C C 43 177.750 177.750 175.768 1.982 18231 5831 1 12 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.452 -0.714 18231 5832 1 12 . 1 1 43 43 GLY H H 43 8.850 8.850 8.679 0.171 18231 5833 1 12 . 1 1 44 44 PHE N N 44 122.213 122.213 121.546 0.667 18231 5834 1 12 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.121 0.242 18231 5835 1 12 . 1 1 44 44 PHE C C 44 176.428 176.428 177.344 -0.916 18231 5836 1 12 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.579 -0.066 18231 5837 1 12 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.187 1.145 18231 5838 1 12 . 1 1 44 44 PHE H H 44 7.936 7.936 8.073 -0.137 18231 5839 1 12 . 1 1 45 45 LEU N N 45 119.395 119.395 119.851 -0.456 18231 5840 1 12 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.372 0.659 18231 5841 1 12 . 1 1 45 45 LEU C C 45 177.212 177.212 178.373 -1.161 18231 5842 1 12 . 1 1 45 45 LEU CA C 45 57.368 57.368 56.899 0.469 18231 5843 1 12 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.841 -0.800 18231 5844 1 12 . 1 1 45 45 LEU H H 45 8.133 8.133 6.699 1.434 18231 5845 1 12 . 1 1 46 46 ASP N N 46 117.384 117.384 116.934 0.450 18231 5846 1 12 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.685 -0.303 18231 5847 1 12 . 1 1 46 46 ASP C C 46 176.684 176.684 177.083 -0.399 18231 5848 1 12 . 1 1 46 46 ASP CA C 46 55.312 55.312 54.941 0.371 18231 5849 1 12 . 1 1 46 46 ASP CB C 46 40.540 40.540 40.377 0.163 18231 5850 1 12 . 1 1 46 46 ASP H H 46 8.139 8.139 8.202 -0.063 18231 5851 1 12 . 1 1 47 47 ALA N N 47 121.052 121.052 122.639 -1.587 18231 5852 1 12 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.045 0.119 18231 5853 1 12 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.587 -2.042 18231 5854 1 12 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.607 -0.258 18231 5855 1 12 . 1 1 47 47 ALA H H 47 7.637 7.637 7.730 -0.093 18231 5856 1 12 . 1 1 48 48 GLN N N 48 116.271 116.271 118.076 -1.805 18231 5857 1 12 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.017 0.123 18231 5858 1 12 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.687 -3.708 18231 5859 1 12 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.328 -0.257 18231 5860 1 12 . 1 1 48 48 GLN H H 48 7.661 7.661 8.361 -0.700 18231 5861 1 12 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.094 0.035 18231 5862 1 12 . 1 1 49 49 LYS C C 49 177.345 177.345 178.393 -1.048 18231 5863 1 12 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.634 -2.387 18231 5864 1 12 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.381 -0.601 18231 5865 1 12 . 1 1 50 50 ASP N N 50 118.526 118.526 118.724 -0.198 18231 5866 1 12 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.803 -0.146 18231 5867 1 12 . 1 1 50 50 ASP C C 50 177.422 177.422 177.460 -0.038 18231 5868 1 12 . 1 1 50 50 ASP CA C 50 53.834 53.834 54.156 -0.322 18231 5869 1 12 . 1 1 50 50 ASP CB C 50 41.689 41.689 40.790 0.899 18231 5870 1 12 . 1 1 50 50 ASP H H 50 7.975 7.975 7.796 0.179 18231 5871 1 12 . 1 1 51 51 VAL N N 51 120.868 120.868 121.286 -0.418 18231 5872 1 12 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.679 0.301 18231 5873 1 12 . 1 1 51 51 VAL C C 51 177.212 177.212 177.016 0.196 18231 5874 1 12 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.951 -2.602 18231 5875 1 12 . 1 1 51 51 VAL CB C 51 31.736 31.736 31.960 -0.224 18231 5876 1 12 . 1 1 51 51 VAL H H 51 8.225 8.225 7.317 0.908 18231 5877 1 12 . 1 1 52 52 ASP N N 52 121.054 121.054 120.135 0.919 18231 5878 1 12 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.365 0.413 18231 5879 1 12 . 1 1 52 52 ASP C C 52 176.912 176.912 178.057 -1.145 18231 5880 1 12 . 1 1 52 52 ASP CA C 52 53.389 53.389 56.952 -3.563 18231 5881 1 12 . 1 1 52 52 ASP CB C 52 40.072 40.072 40.394 -0.322 18231 5882 1 12 . 1 1 52 52 ASP H H 52 8.403 8.403 8.526 -0.123 18231 5883 1 12 . 1 1 53 53 ALA N N 53 123.449 123.449 122.085 1.364 18231 5884 1 12 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.103 -0.166 18231 5885 1 12 . 1 1 53 53 ALA C C 53 174.124 174.124 179.595 -5.471 18231 5886 1 12 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.879 0.084 18231 5887 1 12 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.160 0.713 18231 5888 1 12 . 1 1 53 53 ALA H H 53 7.757 7.757 8.000 -0.243 18231 5889 1 12 . 1 1 54 54 VAL N N 54 116.105 116.105 115.329 0.776 18231 5890 1 12 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.660 -0.202 18231 5891 1 12 . 1 1 54 54 VAL C C 54 176.953 176.953 177.091 -0.138 18231 5892 1 12 . 1 1 54 54 VAL CA C 54 65.895 65.895 65.996 -0.101 18231 5893 1 12 . 1 1 54 54 VAL CB C 54 30.580 30.580 30.977 -0.397 18231 5894 1 12 . 1 1 54 54 VAL H H 54 8.281 8.281 7.915 0.366 18231 5895 1 12 . 1 1 55 55 ASP N N 55 120.466 120.466 120.658 -0.192 18231 5896 1 12 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.411 -0.246 18231 5897 1 12 . 1 1 55 55 ASP C C 55 174.997 174.997 179.103 -4.106 18231 5898 1 12 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.102 0.098 18231 5899 1 12 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.627 -0.106 18231 5900 1 12 . 1 1 55 55 ASP H H 55 7.667 7.667 8.151 -0.484 18231 5901 1 12 . 1 1 56 56 LYS N N 56 119.065 119.065 120.130 -1.065 18231 5902 1 12 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.051 -0.072 18231 5903 1 12 . 1 1 56 56 LYS C C 56 174.602 174.602 179.044 -4.442 18231 5904 1 12 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.165 -0.620 18231 5905 1 12 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.595 -0.995 18231 5906 1 12 . 1 1 56 56 LYS H H 56 7.628 7.628 7.353 0.275 18231 5907 1 12 . 1 1 57 57 VAL N N 57 119.756 119.756 119.656 0.100 18231 5908 1 12 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.657 0.070 18231 5909 1 12 . 1 1 57 57 VAL C C 57 175.782 175.782 178.116 -2.334 18231 5910 1 12 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.102 -0.503 18231 5911 1 12 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.966 -0.719 18231 5912 1 12 . 1 1 57 57 VAL H H 57 7.920 7.920 8.166 -0.246 18231 5913 1 12 . 1 1 58 58 MET N N 58 118.541 118.541 119.000 -0.459 18231 5914 1 12 . 1 1 58 58 MET HA H 58 3.936 3.936 4.184 -0.248 18231 5915 1 12 . 1 1 58 58 MET C C 58 176.330 176.330 177.290 -0.960 18231 5916 1 12 . 1 1 58 58 MET CA C 58 58.620 58.620 57.787 0.833 18231 5917 1 12 . 1 1 58 58 MET CB C 58 32.002 32.002 32.021 -0.019 18231 5918 1 12 . 1 1 58 58 MET H H 58 8.426 8.426 8.415 0.011 18231 5919 1 12 . 1 1 59 59 LYS N N 59 116.084 116.084 117.928 -1.844 18231 5920 1 12 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.974 -0.038 18231 5921 1 12 . 1 1 59 59 LYS C C 59 176.918 176.918 178.061 -1.143 18231 5922 1 12 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.454 -0.780 18231 5923 1 12 . 1 1 59 59 LYS CB C 59 32.602 32.602 31.917 0.685 18231 5924 1 12 . 1 1 59 59 LYS H H 59 7.623 7.623 7.503 0.120 18231 5925 1 12 . 1 1 60 60 GLU N N 60 117.227 117.227 116.552 0.675 18231 5926 1 12 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.161 -0.106 18231 5927 1 12 . 1 1 60 60 GLU C C 60 175.146 175.146 178.310 -3.164 18231 5928 1 12 . 1 1 60 60 GLU CA C 60 58.031 58.031 57.683 0.348 18231 5929 1 12 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.628 -0.313 18231 5930 1 12 . 1 1 60 60 GLU H H 60 7.592 7.592 7.642 -0.050 18231 5931 1 12 . 1 1 61 61 LEU N N 61 116.051 116.051 117.839 -1.788 18231 5932 1 12 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.164 0.199 18231 5933 1 12 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.821 -1.962 18231 5934 1 12 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.343 1.234 18231 5935 1 12 . 1 1 61 61 LEU H H 61 8.045 8.045 7.348 0.697 18231 5936 1 12 . 1 1 62 62 ASP N N 62 116.891 116.891 117.435 -0.544 18231 5937 1 12 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.852 -0.152 18231 5938 1 12 . 1 1 62 62 ASP C C 62 176.806 176.806 176.343 0.463 18231 5939 1 12 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.515 -0.399 18231 5940 1 12 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.009 -1.358 18231 5941 1 12 . 1 1 62 62 ASP H H 62 8.008 8.008 8.035 -0.027 18231 5942 1 12 . 1 1 63 63 GLU N N 63 129.185 129.185 125.383 3.802 18231 5943 1 12 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.059 -0.005 18231 5944 1 12 . 1 1 63 63 GLU C C 63 175.826 175.826 177.883 -2.057 18231 5945 1 12 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.554 -0.236 18231 5946 1 12 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.945 0.273 18231 5947 1 12 . 1 1 63 63 GLU H H 63 8.347 8.347 8.205 0.142 18231 5948 1 12 . 1 1 64 64 ASN N N 64 112.618 112.618 116.222 -3.604 18231 5949 1 12 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.526 0.222 18231 5950 1 12 . 1 1 64 64 ASN C C 64 176.855 176.855 176.138 0.717 18231 5951 1 12 . 1 1 64 64 ASN CA C 64 51.626 51.626 54.421 -2.795 18231 5952 1 12 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.908 -2.035 18231 5953 1 12 . 1 1 64 64 ASN H H 64 7.978 7.978 7.788 0.190 18231 5954 1 12 . 1 1 65 65 GLY N N 65 109.111 109.111 106.872 2.239 18231 5955 1 12 . 1 1 65 65 GLY C C 65 178.426 178.426 174.730 3.696 18231 5956 1 12 . 1 1 65 65 GLY CA C 65 47.039 47.039 45.550 1.489 18231 5957 1 12 . 1 1 65 65 GLY H H 65 7.543 7.543 8.407 -0.864 18231 5958 1 12 . 1 1 66 66 ASP N N 66 119.205 119.205 121.916 -2.711 18231 5959 1 12 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.481 0.060 18231 5960 1 12 . 1 1 66 66 ASP C C 66 176.015 176.015 177.782 -1.767 18231 5961 1 12 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.308 -1.469 18231 5962 1 12 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.906 -1.030 18231 5963 1 12 . 1 1 66 66 ASP H H 66 8.113 8.113 8.036 0.077 18231 5964 1 12 . 1 1 67 67 GLY N N 67 113.254 113.254 108.297 4.957 18231 5965 1 12 . 1 1 67 67 GLY C C 67 180.780 180.780 173.566 7.214 18231 5966 1 12 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.961 0.253 18231 5967 1 12 . 1 1 67 67 GLY H H 67 10.267 10.267 9.203 1.064 18231 5968 1 12 . 1 1 68 68 GLU N N 68 116.975 116.975 119.299 -2.324 18231 5969 1 12 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.716 0.094 18231 5970 1 12 . 1 1 68 68 GLU C C 68 178.130 178.130 174.578 3.552 18231 5971 1 12 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.450 -0.320 18231 5972 1 12 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.537 2.215 18231 5973 1 12 . 1 1 68 68 GLU H H 68 7.714 7.714 8.928 -1.214 18231 5974 1 12 . 1 1 69 69 VAL N N 69 125.146 125.146 120.476 4.670 18231 5975 1 12 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.825 0.424 18231 5976 1 12 . 1 1 69 69 VAL C C 69 177.413 177.413 175.072 2.341 18231 5977 1 12 . 1 1 69 69 VAL CA C 69 60.702 60.702 60.226 0.476 18231 5978 1 12 . 1 1 69 69 VAL CB C 69 33.487 33.487 32.786 0.701 18231 5979 1 12 . 1 1 69 69 VAL H H 69 9.389 9.389 8.090 1.299 18231 5980 1 12 . 1 1 70 70 ASP N N 70 129.202 129.202 124.256 4.946 18231 5981 1 12 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.117 0.052 18231 5982 1 12 . 1 1 70 70 ASP C C 70 178.332 178.332 176.850 1.482 18231 5983 1 12 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.782 0.363 18231 5984 1 12 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.576 -3.479 18231 5985 1 12 . 1 1 70 70 ASP H H 70 9.109 9.109 8.759 0.350 18231 5986 1 12 . 1 1 71 71 PHE N N 71 118.298 118.298 123.405 -5.107 18231 5987 1 12 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.954 -1.027 18231 5988 1 12 . 1 1 71 71 PHE C C 71 176.763 176.763 176.735 0.028 18231 5989 1 12 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.708 1.343 18231 5990 1 12 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.883 0.106 18231 5991 1 12 . 1 1 71 71 PHE H H 71 8.938 8.938 8.959 -0.021 18231 5992 1 12 . 1 1 72 72 GLN N N 72 116.762 116.762 116.749 0.013 18231 5993 1 12 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.764 -0.070 18231 5994 1 12 . 1 1 72 72 GLN C C 72 175.208 175.208 178.466 -3.258 18231 5995 1 12 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.280 -0.061 18231 5996 1 12 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.303 -0.497 18231 5997 1 12 . 1 1 72 72 GLN H H 72 7.997 7.997 8.938 -0.941 18231 5998 1 12 . 1 1 73 73 GLU N N 73 120.146 120.146 120.434 -0.288 18231 5999 1 12 . 1 1 73 73 GLU HA H 73 4.096 4.096 4.021 0.075 18231 6000 1 12 . 1 1 73 73 GLU C C 73 174.746 174.746 178.704 -3.958 18231 6001 1 12 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.414 -1.310 18231 6002 1 12 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.587 0.259 18231 6003 1 12 . 1 1 73 73 GLU H H 73 8.289 8.289 7.597 0.692 18231 6004 1 12 . 1 1 74 74 TYR N N 74 121.506 121.506 121.247 0.259 18231 6005 1 12 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.123 -0.010 18231 6006 1 12 . 1 1 74 74 TYR C C 74 176.925 176.925 177.533 -0.608 18231 6007 1 12 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.339 -2.238 18231 6008 1 12 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.682 -1.310 18231 6009 1 12 . 1 1 74 74 TYR H H 74 8.324 8.324 8.515 -0.191 18231 6010 1 12 . 1 1 75 75 VAL N N 75 120.725 120.725 116.229 4.496 18231 6011 1 12 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.125 -0.252 18231 6012 1 12 . 1 1 75 75 VAL C C 75 176.738 176.738 177.207 -0.469 18231 6013 1 12 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.124 -0.244 18231 6014 1 12 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.940 0.060 18231 6015 1 12 . 1 1 75 75 VAL H H 75 8.074 8.074 8.169 -0.095 18231 6016 1 12 . 1 1 76 76 VAL N N 76 120.118 120.118 120.501 -0.383 18231 6017 1 12 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.575 -0.155 18231 6018 1 12 . 1 1 76 76 VAL C C 76 174.620 174.620 178.154 -3.534 18231 6019 1 12 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.153 0.256 18231 6020 1 12 . 1 1 76 76 VAL CB C 76 30.776 30.776 30.930 -0.154 18231 6021 1 12 . 1 1 76 76 VAL H H 76 7.119 7.119 7.191 -0.071 18231 6022 1 12 . 1 1 77 77 LEU N N 77 120.709 120.709 120.988 -0.279 18231 6023 1 12 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.034 -0.004 18231 6024 1 12 . 1 1 77 77 LEU C C 77 175.943 175.943 178.822 -2.879 18231 6025 1 12 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.240 -1.300 18231 6026 1 12 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.839 -0.731 18231 6027 1 12 . 1 1 77 77 LEU H H 77 6.865 6.865 7.928 -1.063 18231 6028 1 12 . 1 1 78 78 VAL N N 78 116.930 116.930 115.932 0.998 18231 6029 1 12 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.729 -0.589 18231 6030 1 12 . 1 1 78 78 VAL C C 78 174.150 174.150 177.696 -3.546 18231 6031 1 12 . 1 1 78 78 VAL CA C 78 66.378 66.378 64.665 1.713 18231 6032 1 12 . 1 1 78 78 VAL CB C 78 30.229 30.229 29.970 0.259 18231 6033 1 12 . 1 1 78 78 VAL H H 78 7.539 7.539 7.954 -0.415 18231 6034 1 12 . 1 1 79 79 ALA N N 79 124.551 124.551 123.213 1.338 18231 6035 1 12 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.910 -0.218 18231 6036 1 12 . 1 1 79 79 ALA C C 79 175.111 175.111 179.224 -4.113 18231 6037 1 12 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.275 0.217 18231 6038 1 12 . 1 1 79 79 ALA CB C 79 17.463 17.463 18.002 -0.539 18231 6039 1 12 . 1 1 79 79 ALA H H 79 8.918 8.918 8.171 0.747 18231 6040 1 12 . 1 1 80 80 ALA N N 80 120.223 120.223 120.818 -0.595 18231 6041 1 12 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.157 -0.092 18231 6042 1 12 . 1 1 80 80 ALA C C 80 171.473 171.473 179.352 -7.879 18231 6043 1 12 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.524 0.402 18231 6044 1 12 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.490 -1.064 18231 6045 1 12 . 1 1 80 80 ALA H H 80 7.760 7.760 7.650 0.110 18231 6046 1 12 . 1 1 81 81 LEU N N 81 119.090 119.090 119.768 -0.678 18231 6047 1 12 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.053 0.035 18231 6048 1 12 . 1 1 81 81 LEU C C 81 174.008 174.008 178.618 -4.610 18231 6049 1 12 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.772 -0.115 18231 6050 1 12 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.743 0.488 18231 6051 1 12 . 1 1 81 81 LEU H H 81 8.542 8.542 8.104 0.438 18231 6052 1 12 . 1 1 82 82 THR N N 82 119.585 119.585 113.909 5.676 18231 6053 1 12 . 1 1 82 82 THR HA H 82 4.332 4.332 3.976 0.356 18231 6054 1 12 . 1 1 82 82 THR C C 82 176.758 176.758 176.661 0.097 18231 6055 1 12 . 1 1 82 82 THR CA C 82 67.286 67.286 66.107 1.179 18231 6056 1 12 . 1 1 82 82 THR CB C 82 68.127 68.127 68.692 -0.565 18231 6057 1 12 . 1 1 82 82 THR H H 82 8.421 8.421 8.100 0.321 18231 6058 1 12 . 1 1 83 83 VAL N N 83 121.934 121.934 120.740 1.194 18231 6059 1 12 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.734 -0.019 18231 6060 1 12 . 1 1 83 83 VAL C C 83 175.556 175.556 177.869 -2.313 18231 6061 1 12 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.339 0.564 18231 6062 1 12 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.467 0.079 18231 6063 1 12 . 1 1 83 83 VAL H H 83 8.077 8.077 7.457 0.620 18231 6064 1 12 . 1 1 84 84 ALA N N 84 121.367 121.367 122.692 -1.325 18231 6065 1 12 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.065 0.136 18231 6066 1 12 . 1 1 84 84 ALA C C 84 173.936 173.936 179.542 -5.606 18231 6067 1 12 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.327 -0.047 18231 6068 1 12 . 1 1 84 84 ALA CB C 84 17.607 17.607 18.086 -0.479 18231 6069 1 12 . 1 1 84 84 ALA H H 84 7.835 7.835 8.343 -0.508 18231 6070 1 12 . 1 1 85 85 CYS N N 85 116.731 116.731 116.523 0.208 18231 6071 1 12 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.264 -0.027 18231 6072 1 12 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.940 -8.289 18231 6073 1 12 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.278 11.692 18231 6074 1 12 . 1 1 85 85 CYS H H 85 8.244 8.244 8.383 -0.139 18231 6075 1 12 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.490 -0.107 18231 6076 1 12 . 1 1 86 86 ASN CA C 86 54.979 54.979 55.958 -0.979 18231 6077 1 12 . 1 1 86 86 ASN CB C 86 40.491 40.491 37.823 2.668 18231 6078 1 12 . 1 1 87 87 ASN N N 87 120.372 120.372 119.795 0.577 18231 6079 1 12 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.689 -0.292 18231 6080 1 12 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.260 -1.291 18231 6081 1 12 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.485 -1.097 18231 6082 1 12 . 1 1 87 87 ASN H H 87 7.539 7.539 7.724 -0.185 18231 6083 1 12 . 1 1 88 88 PHE N N 88 118.684 118.684 119.127 -0.443 18231 6084 1 12 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.314 0.058 18231 6085 1 12 . 1 1 88 88 PHE C C 88 177.050 177.050 178.024 -0.974 18231 6086 1 12 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.389 -2.016 18231 6087 1 12 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.748 0.271 18231 6088 1 12 . 1 1 88 88 PHE H H 88 7.862 7.862 8.361 -0.499 18231 6089 1 12 . 1 1 89 89 PHE N N 89 118.515 118.515 120.306 -1.791 18231 6090 1 12 . 1 1 89 89 PHE HA H 89 4.288 4.288 3.986 0.302 18231 6091 1 12 . 1 1 89 89 PHE CA C 89 59.258 59.258 62.032 -2.774 18231 6092 1 12 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.850 0.382 18231 6093 1 12 . 1 1 89 89 PHE H H 89 7.898 7.898 7.752 0.146 18231 6094 1 12 . 1 1 90 90 TRP N N 90 118.964 118.964 116.575 2.389 18231 6095 1 12 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.325 0.160 18231 6096 1 12 . 1 1 90 90 TRP C C 90 174.481 174.481 178.028 -3.547 18231 6097 1 12 . 1 1 90 90 TRP CA C 90 57.371 57.371 58.941 -1.570 18231 6098 1 12 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.527 -0.251 18231 6099 1 12 . 1 1 90 90 TRP H H 90 7.773 7.773 7.452 0.321 18231 6100 1 12 . 1 1 91 91 GLU N N 91 120.150 120.150 117.576 2.574 18231 6101 1 12 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.181 -0.124 18231 6102 1 12 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.214 -0.237 18231 6103 1 12 . 1 1 91 91 GLU CB C 91 30.094 30.094 30.169 -0.075 18231 6104 1 12 . 1 1 91 91 GLU H H 91 7.812 7.812 7.569 0.243 18231 6105 1 12 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.813 -0.145 18231 6106 1 12 . 1 1 92 92 ASN C C 92 175.577 175.577 173.889 1.688 18231 6107 1 12 . 1 1 92 92 ASN CA C 92 52.806 52.806 52.623 0.182 18231 6108 1 12 . 1 1 92 92 ASN CB C 92 38.795 38.795 39.163 -0.368 18231 6109 1 13 . 1 1 2 2 SER N N 2 118.234 118.234 115.766 2.468 18231 6110 1 13 . 1 1 2 2 SER HA H 2 4.750 4.750 4.557 0.193 18231 6111 1 13 . 1 1 2 2 SER C C 2 178.105 178.105 175.541 2.564 18231 6112 1 13 . 1 1 2 2 SER CA C 2 57.133 57.133 57.630 -0.497 18231 6113 1 13 . 1 1 2 2 SER CB C 2 64.624 64.624 64.990 -0.366 18231 6114 1 13 . 1 1 2 2 SER H H 2 9.007 9.007 8.159 0.848 18231 6115 1 13 . 1 1 3 3 GLU N N 3 123.466 123.466 121.183 2.283 18231 6116 1 13 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.091 0.048 18231 6117 1 13 . 1 1 3 3 GLU C C 3 173.854 173.854 178.774 -4.920 18231 6118 1 13 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.927 1.183 18231 6119 1 13 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.398 -0.498 18231 6120 1 13 . 1 1 3 3 GLU H H 3 9.436 9.436 8.865 0.571 18231 6121 1 13 . 1 1 4 4 LEU N N 4 119.878 119.878 119.108 0.770 18231 6122 1 13 . 1 1 4 4 LEU HA H 4 4.086 4.086 3.954 0.132 18231 6123 1 13 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.581 0.328 18231 6124 1 13 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.410 -0.005 18231 6125 1 13 . 1 1 4 4 LEU H H 4 8.891 8.891 8.077 0.814 18231 6126 1 13 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.024 -0.013 18231 6127 1 13 . 1 1 5 5 GLU C C 5 173.709 173.709 179.051 -5.342 18231 6128 1 13 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.396 0.200 18231 6129 1 13 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.575 -0.520 18231 6130 1 13 . 1 1 6 6 THR N N 6 116.614 116.614 116.296 0.318 18231 6131 1 13 . 1 1 6 6 THR HA H 6 4.019 4.019 4.071 -0.052 18231 6132 1 13 . 1 1 6 6 THR C C 6 176.965 176.965 176.250 0.715 18231 6133 1 13 . 1 1 6 6 THR CA C 6 66.175 66.175 66.480 -0.304 18231 6134 1 13 . 1 1 6 6 THR CB C 6 68.280 68.280 68.765 -0.485 18231 6135 1 13 . 1 1 6 6 THR H H 6 8.316 8.316 7.470 0.846 18231 6136 1 13 . 1 1 7 7 ALA N N 7 126.118 126.118 124.844 1.274 18231 6137 1 13 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.119 0.017 18231 6138 1 13 . 1 1 7 7 ALA C C 7 173.544 173.544 180.250 -6.706 18231 6139 1 13 . 1 1 7 7 ALA CA C 7 54.838 54.838 55.063 -0.225 18231 6140 1 13 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.219 -0.769 18231 6141 1 13 . 1 1 7 7 ALA H H 7 8.167 8.167 8.152 0.015 18231 6142 1 13 . 1 1 8 8 MET N N 8 117.610 117.610 117.426 0.184 18231 6143 1 13 . 1 1 8 8 MET HA H 8 4.174 4.174 4.072 0.102 18231 6144 1 13 . 1 1 8 8 MET C C 8 175.513 175.513 178.566 -3.053 18231 6145 1 13 . 1 1 8 8 MET CA C 8 61.988 61.988 59.540 2.448 18231 6146 1 13 . 1 1 8 8 MET CB C 8 26.277 26.277 32.508 -6.231 18231 6147 1 13 . 1 1 8 8 MET H H 8 8.286 8.286 7.648 0.638 18231 6148 1 13 . 1 1 9 9 GLU N N 9 117.751 117.751 118.410 -0.659 18231 6149 1 13 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.035 -0.115 18231 6150 1 13 . 1 1 9 9 GLU C C 9 174.479 174.479 179.131 -4.652 18231 6151 1 13 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.532 -0.113 18231 6152 1 13 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.613 -0.599 18231 6153 1 13 . 1 1 9 9 GLU H H 9 8.055 8.055 7.686 0.369 18231 6154 1 13 . 1 1 10 10 THR N N 10 117.936 117.936 114.747 3.189 18231 6155 1 13 . 1 1 10 10 THR HA H 10 4.083 4.083 4.087 -0.004 18231 6156 1 13 . 1 1 10 10 THR C C 10 177.781 177.781 176.708 1.073 18231 6157 1 13 . 1 1 10 10 THR CA C 10 66.869 66.869 66.323 0.546 18231 6158 1 13 . 1 1 10 10 THR CB C 10 67.663 67.663 68.703 -1.040 18231 6159 1 13 . 1 1 10 10 THR H H 10 8.398 8.398 8.327 0.071 18231 6160 1 13 . 1 1 11 11 LEU N N 11 119.632 119.632 122.063 -2.431 18231 6161 1 13 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.300 -0.344 18231 6162 1 13 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.246 0.622 18231 6163 1 13 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.005 0.592 18231 6164 1 13 . 1 1 11 11 LEU H H 11 8.134 8.134 7.488 0.646 18231 6165 1 13 . 1 1 12 12 ILE N N 12 119.532 119.532 120.312 -0.780 18231 6166 1 13 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.374 0.594 18231 6167 1 13 . 1 1 12 12 ILE C C 12 175.378 175.378 178.111 -2.733 18231 6168 1 13 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.616 -0.244 18231 6169 1 13 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.348 1.584 18231 6170 1 13 . 1 1 12 12 ILE H H 12 7.751 7.751 7.718 0.033 18231 6171 1 13 . 1 1 13 13 ASN N N 13 121.617 121.617 118.911 2.706 18231 6172 1 13 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.526 0.001 18231 6173 1 13 . 1 1 13 13 ASN C C 13 174.457 174.457 177.908 -3.451 18231 6174 1 13 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.290 -0.230 18231 6175 1 13 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.127 -0.470 18231 6176 1 13 . 1 1 13 13 ASN H H 13 9.012 9.012 8.506 0.506 18231 6177 1 13 . 1 1 14 14 VAL N N 14 120.538 120.538 118.431 2.107 18231 6178 1 13 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.936 -0.121 18231 6179 1 13 . 1 1 14 14 VAL C C 14 176.194 176.194 177.664 -1.470 18231 6180 1 13 . 1 1 14 14 VAL CA C 14 66.080 66.080 65.299 0.781 18231 6181 1 13 . 1 1 14 14 VAL CB C 14 31.571 31.571 30.911 0.660 18231 6182 1 13 . 1 1 14 14 VAL H H 14 8.951 8.951 8.348 0.603 18231 6183 1 13 . 1 1 15 15 PHE N N 15 117.397 117.397 122.373 -4.976 18231 6184 1 13 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.148 -0.679 18231 6185 1 13 . 1 1 15 15 PHE C C 15 176.028 176.028 177.112 -1.084 18231 6186 1 13 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.541 -0.378 18231 6187 1 13 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.187 -0.252 18231 6188 1 13 . 1 1 15 15 PHE H H 15 6.953 6.953 8.624 -1.671 18231 6189 1 13 . 1 1 16 16 HIS N N 16 115.032 115.032 120.152 -5.120 18231 6190 1 13 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.100 0.736 18231 6191 1 13 . 1 1 16 16 HIS C C 16 176.028 176.028 177.325 -1.297 18231 6192 1 13 . 1 1 16 16 HIS CA C 16 58.017 58.017 58.447 -0.430 18231 6193 1 13 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.546 -1.265 18231 6194 1 13 . 1 1 16 16 HIS H H 16 7.736 7.736 8.790 -1.054 18231 6195 1 13 . 1 1 17 17 ALA N N 17 123.252 123.252 121.273 1.979 18231 6196 1 13 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.631 0.417 18231 6197 1 13 . 1 1 17 17 ALA C C 17 174.507 174.507 179.783 -5.276 18231 6198 1 13 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.726 -1.031 18231 6199 1 13 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.907 -0.553 18231 6200 1 13 . 1 1 17 17 ALA H H 17 8.070 8.070 8.043 0.027 18231 6201 1 13 . 1 1 18 18 HIS N N 18 113.812 113.812 116.774 -2.962 18231 6202 1 13 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.258 0.132 18231 6203 1 13 . 1 1 18 18 HIS C C 18 177.747 177.747 178.418 -0.671 18231 6204 1 13 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.274 -2.339 18231 6205 1 13 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.618 2.522 18231 6206 1 13 . 1 1 18 18 HIS H H 18 7.043 7.043 8.212 -1.169 18231 6207 1 13 . 1 1 19 19 SER N N 19 113.634 113.634 115.909 -2.275 18231 6208 1 13 . 1 1 19 19 SER HA H 19 3.673 3.673 4.192 -0.519 18231 6209 1 13 . 1 1 19 19 SER C C 19 176.511 176.511 177.163 -0.652 18231 6210 1 13 . 1 1 19 19 SER CA C 19 60.926 60.926 60.608 0.318 18231 6211 1 13 . 1 1 19 19 SER CB C 19 60.919 60.919 62.493 -1.574 18231 6212 1 13 . 1 1 19 19 SER H H 19 8.489 8.489 8.160 0.329 18231 6213 1 13 . 1 1 20 20 GLY N N 20 111.572 111.572 108.901 2.671 18231 6214 1 13 . 1 1 20 20 GLY C C 20 179.798 179.798 175.755 4.043 18231 6215 1 13 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.533 -1.441 18231 6216 1 13 . 1 1 20 20 GLY H H 20 7.734 7.734 8.211 -0.477 18231 6217 1 13 . 1 1 21 21 LYS N N 21 122.204 122.204 121.276 0.928 18231 6218 1 13 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.018 -0.094 18231 6219 1 13 . 1 1 21 21 LYS C C 21 176.162 176.162 177.639 -1.477 18231 6220 1 13 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.864 0.232 18231 6221 1 13 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.519 -0.619 18231 6222 1 13 . 1 1 21 21 LYS H H 21 7.196 7.196 7.806 -0.610 18231 6223 1 13 . 1 1 22 22 GLU N N 22 115.840 115.840 117.241 -1.401 18231 6224 1 13 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.498 0.169 18231 6225 1 13 . 1 1 22 22 GLU C C 22 176.511 176.511 176.406 0.105 18231 6226 1 13 . 1 1 22 22 GLU CA C 22 53.781 53.781 54.919 -1.138 18231 6227 1 13 . 1 1 22 22 GLU CB C 22 32.641 32.641 28.632 4.009 18231 6228 1 13 . 1 1 22 22 GLU H H 22 9.363 9.363 8.021 1.342 18231 6229 1 13 . 1 1 23 23 GLY N N 23 111.558 111.558 110.029 1.529 18231 6230 1 13 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.352 0.148 18231 6231 1 13 . 1 1 23 23 GLY H H 23 7.710 7.710 7.950 -0.240 18231 6232 1 13 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.363 0.045 18231 6233 1 13 . 1 1 24 24 ASP C C 24 173.495 173.495 176.950 -3.455 18231 6234 1 13 . 1 1 24 24 ASP CA C 24 54.717 54.717 55.314 -0.597 18231 6235 1 13 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.344 2.716 18231 6236 1 13 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.921 0.366 18231 6237 1 13 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.202 -1.673 18231 6238 1 13 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.440 -1.531 18231 6239 1 13 . 1 1 26 26 TYR N N 26 119.467 119.467 115.942 3.525 18231 6240 1 13 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.477 0.234 18231 6241 1 13 . 1 1 26 26 TYR C C 26 179.682 179.682 175.972 3.710 18231 6242 1 13 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.695 -3.871 18231 6243 1 13 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.467 -0.796 18231 6244 1 13 . 1 1 26 26 TYR H H 26 9.377 9.377 8.417 0.960 18231 6245 1 13 . 1 1 27 27 LYS N N 27 114.770 114.770 118.532 -3.762 18231 6246 1 13 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.652 0.470 18231 6247 1 13 . 1 1 27 27 LYS C C 27 178.721 178.721 175.166 3.555 18231 6248 1 13 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.782 -0.055 18231 6249 1 13 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.351 3.138 18231 6250 1 13 . 1 1 27 27 LYS H H 27 7.100 7.100 7.705 -0.605 18231 6251 1 13 . 1 1 28 28 LEU N N 28 125.858 125.858 126.998 -1.140 18231 6252 1 13 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.756 0.427 18231 6253 1 13 . 1 1 28 28 LEU C C 28 177.490 177.490 175.317 2.173 18231 6254 1 13 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.598 -1.265 18231 6255 1 13 . 1 1 28 28 LEU CB C 28 42.586 42.586 45.394 -2.808 18231 6256 1 13 . 1 1 28 28 LEU H H 28 9.750 9.750 8.394 1.356 18231 6257 1 13 . 1 1 29 29 SER N N 29 120.926 120.926 120.769 0.157 18231 6258 1 13 . 1 1 29 29 SER HA H 29 4.560 4.560 4.821 -0.261 18231 6259 1 13 . 1 1 29 29 SER C C 29 178.943 178.943 175.556 3.387 18231 6260 1 13 . 1 1 29 29 SER CA C 29 55.907 55.907 56.120 -0.213 18231 6261 1 13 . 1 1 29 29 SER CB C 29 65.035 65.035 66.216 -1.181 18231 6262 1 13 . 1 1 29 29 SER H H 29 9.907 9.907 9.350 0.557 18231 6263 1 13 . 1 1 30 30 LYS N N 30 120.263 120.263 123.504 -3.241 18231 6264 1 13 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.946 -0.095 18231 6265 1 13 . 1 1 30 30 LYS C C 30 175.519 175.519 178.529 -3.010 18231 6266 1 13 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.421 0.239 18231 6267 1 13 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.393 -0.655 18231 6268 1 13 . 1 1 30 30 LYS H H 30 8.838 8.838 8.908 -0.070 18231 6269 1 13 . 1 1 31 31 LYS N N 31 118.292 118.292 117.570 0.722 18231 6270 1 13 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.009 -0.087 18231 6271 1 13 . 1 1 31 31 LYS C C 31 174.664 174.664 179.085 -4.421 18231 6272 1 13 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.560 -0.262 18231 6273 1 13 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.159 0.506 18231 6274 1 13 . 1 1 31 31 LYS H H 31 7.903 7.903 8.303 -0.400 18231 6275 1 13 . 1 1 32 32 GLU N N 32 119.243 119.243 119.006 0.237 18231 6276 1 13 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.021 -0.114 18231 6277 1 13 . 1 1 32 32 GLU C C 32 174.836 174.836 179.016 -4.180 18231 6278 1 13 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.122 -0.806 18231 6279 1 13 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.753 1.124 18231 6280 1 13 . 1 1 32 32 GLU H H 32 7.499 7.499 7.594 -0.095 18231 6281 1 13 . 1 1 33 33 LEU N N 33 119.432 119.432 119.350 0.082 18231 6282 1 13 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.097 -0.179 18231 6283 1 13 . 1 1 33 33 LEU C C 33 175.740 175.740 178.007 -2.267 18231 6284 1 13 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.045 0.224 18231 6285 1 13 . 1 1 33 33 LEU CB C 33 40.981 40.981 40.897 0.084 18231 6286 1 13 . 1 1 33 33 LEU H H 33 9.062 9.062 8.278 0.784 18231 6287 1 13 . 1 1 34 34 LYS N N 34 119.090 119.090 120.807 -1.717 18231 6288 1 13 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.858 -0.204 18231 6289 1 13 . 1 1 34 34 LYS C C 34 175.916 175.916 178.456 -2.540 18231 6290 1 13 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.261 0.023 18231 6291 1 13 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.173 -0.773 18231 6292 1 13 . 1 1 34 34 LYS H H 34 8.236 8.236 8.489 -0.253 18231 6293 1 13 . 1 1 35 35 GLU N N 35 117.482 117.482 118.837 -1.355 18231 6294 1 13 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.990 0.007 18231 6295 1 13 . 1 1 35 35 GLU C C 35 174.549 174.549 178.745 -4.196 18231 6296 1 13 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.368 -0.139 18231 6297 1 13 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.272 -0.439 18231 6298 1 13 . 1 1 35 35 GLU H H 35 7.734 7.734 7.646 0.088 18231 6299 1 13 . 1 1 36 36 LEU N N 36 124.601 124.601 119.716 4.885 18231 6300 1 13 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.887 -1.199 18231 6301 1 13 . 1 1 36 36 LEU C C 36 174.780 174.780 178.929 -4.149 18231 6302 1 13 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.846 1.481 18231 6303 1 13 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.019 0.616 18231 6304 1 13 . 1 1 36 36 LEU H H 36 8.308 8.308 7.230 1.078 18231 6305 1 13 . 1 1 37 37 LEU N N 37 118.901 118.901 119.008 -0.107 18231 6306 1 13 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.885 -0.152 18231 6307 1 13 . 1 1 37 37 LEU C C 37 174.771 174.771 179.091 -4.320 18231 6308 1 13 . 1 1 37 37 LEU CA C 37 57.913 57.913 58.137 -0.224 18231 6309 1 13 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.224 0.062 18231 6310 1 13 . 1 1 37 37 LEU H H 37 8.663 8.663 8.237 0.426 18231 6311 1 13 . 1 1 38 38 GLN N N 38 114.582 114.582 118.753 -4.171 18231 6312 1 13 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.016 -0.059 18231 6313 1 13 . 1 1 38 38 GLN C C 38 175.747 175.747 177.736 -1.989 18231 6314 1 13 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.949 -0.778 18231 6315 1 13 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.934 -0.305 18231 6316 1 13 . 1 1 38 38 GLN H H 38 8.507 8.507 8.217 0.290 18231 6317 1 13 . 1 1 39 39 THR N N 39 110.227 110.227 113.840 -3.613 18231 6318 1 13 . 1 1 39 39 THR HA H 39 4.252 4.252 3.810 0.442 18231 6319 1 13 . 1 1 39 39 THR C C 39 176.966 176.966 176.029 0.937 18231 6320 1 13 . 1 1 39 39 THR CA C 39 64.485 64.485 65.570 -1.085 18231 6321 1 13 . 1 1 39 39 THR CB C 39 69.254 69.254 68.888 0.366 18231 6322 1 13 . 1 1 39 39 THR H H 39 7.845 7.845 7.861 -0.016 18231 6323 1 13 . 1 1 40 40 GLU N N 40 117.400 117.400 118.967 -1.567 18231 6324 1 13 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.182 -0.032 18231 6325 1 13 . 1 1 40 40 GLU C C 40 177.343 177.343 176.970 0.373 18231 6326 1 13 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.031 -1.462 18231 6327 1 13 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.168 -0.587 18231 6328 1 13 . 1 1 40 40 GLU H H 40 8.460 8.460 8.098 0.362 18231 6329 1 13 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.632 0.395 18231 6330 1 13 . 1 1 41 41 LEU C C 41 176.458 176.458 177.856 -1.398 18231 6331 1 13 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.723 -1.288 18231 6332 1 13 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.570 0.737 18231 6333 1 13 . 1 1 42 42 SER N N 42 116.528 116.528 120.421 -3.893 18231 6334 1 13 . 1 1 42 42 SER HA H 42 4.062 4.062 4.439 -0.377 18231 6335 1 13 . 1 1 42 42 SER CA C 42 61.213 61.213 61.172 0.041 18231 6336 1 13 . 1 1 42 42 SER CB C 42 62.378 62.378 62.857 -0.479 18231 6337 1 13 . 1 1 42 42 SER H H 42 8.246 8.246 9.028 -0.782 18231 6338 1 13 . 1 1 43 43 GLY N N 43 111.367 111.367 108.907 2.460 18231 6339 1 13 . 1 1 43 43 GLY C C 43 177.750 177.750 175.780 1.970 18231 6340 1 13 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.377 -0.639 18231 6341 1 13 . 1 1 43 43 GLY H H 43 8.850 8.850 8.610 0.240 18231 6342 1 13 . 1 1 44 44 PHE N N 44 122.213 122.213 121.370 0.843 18231 6343 1 13 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.134 0.229 18231 6344 1 13 . 1 1 44 44 PHE C C 44 176.428 176.428 177.112 -0.684 18231 6345 1 13 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.367 0.146 18231 6346 1 13 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.145 1.187 18231 6347 1 13 . 1 1 44 44 PHE H H 44 7.936 7.936 8.094 -0.158 18231 6348 1 13 . 1 1 45 45 LEU N N 45 119.395 119.395 121.037 -1.642 18231 6349 1 13 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.355 0.676 18231 6350 1 13 . 1 1 45 45 LEU C C 45 177.212 177.212 178.780 -1.568 18231 6351 1 13 . 1 1 45 45 LEU CA C 45 57.368 57.368 56.962 0.406 18231 6352 1 13 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.760 -0.719 18231 6353 1 13 . 1 1 45 45 LEU H H 45 8.133 8.133 6.785 1.348 18231 6354 1 13 . 1 1 46 46 ASP N N 46 117.384 117.384 116.981 0.403 18231 6355 1 13 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.543 -0.161 18231 6356 1 13 . 1 1 46 46 ASP C C 46 176.684 176.684 177.547 -0.863 18231 6357 1 13 . 1 1 46 46 ASP CA C 46 55.312 55.312 54.879 0.433 18231 6358 1 13 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.919 0.622 18231 6359 1 13 . 1 1 46 46 ASP H H 46 8.139 8.139 8.343 -0.204 18231 6360 1 13 . 1 1 47 47 ALA N N 47 121.052 121.052 122.901 -1.849 18231 6361 1 13 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.011 0.153 18231 6362 1 13 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.825 -2.280 18231 6363 1 13 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.666 -0.317 18231 6364 1 13 . 1 1 47 47 ALA H H 47 7.637 7.637 7.904 -0.267 18231 6365 1 13 . 1 1 48 48 GLN N N 48 116.271 116.271 116.295 -0.024 18231 6366 1 13 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.031 0.109 18231 6367 1 13 . 1 1 48 48 GLN CA C 48 54.979 54.979 57.556 -2.577 18231 6368 1 13 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.828 -0.757 18231 6369 1 13 . 1 1 48 48 GLN H H 48 7.661 7.661 8.094 -0.433 18231 6370 1 13 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.210 -0.081 18231 6371 1 13 . 1 1 49 49 LYS C C 49 177.345 177.345 175.281 2.064 18231 6372 1 13 . 1 1 49 49 LYS CA C 49 56.247 56.247 56.585 -0.338 18231 6373 1 13 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.945 -1.165 18231 6374 1 13 . 1 1 50 50 ASP N N 50 118.526 118.526 120.795 -2.269 18231 6375 1 13 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.382 0.275 18231 6376 1 13 . 1 1 50 50 ASP C C 50 177.422 177.422 176.990 0.432 18231 6377 1 13 . 1 1 50 50 ASP CA C 50 53.834 53.834 55.192 -1.358 18231 6378 1 13 . 1 1 50 50 ASP CB C 50 41.689 41.689 39.676 2.013 18231 6379 1 13 . 1 1 50 50 ASP H H 50 7.975 7.975 8.850 -0.875 18231 6380 1 13 . 1 1 51 51 VAL N N 51 120.868 120.868 118.811 2.057 18231 6381 1 13 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.664 0.316 18231 6382 1 13 . 1 1 51 51 VAL C C 51 177.212 177.212 176.607 0.605 18231 6383 1 13 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.682 -2.333 18231 6384 1 13 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.145 -0.409 18231 6385 1 13 . 1 1 51 51 VAL H H 51 8.225 8.225 8.083 0.142 18231 6386 1 13 . 1 1 52 52 ASP N N 52 121.054 121.054 120.035 1.019 18231 6387 1 13 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.301 0.477 18231 6388 1 13 . 1 1 52 52 ASP C C 52 176.912 176.912 177.543 -0.631 18231 6389 1 13 . 1 1 52 52 ASP CA C 52 53.389 53.389 56.784 -3.395 18231 6390 1 13 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.464 0.608 18231 6391 1 13 . 1 1 52 52 ASP H H 52 8.403 8.403 8.291 0.112 18231 6392 1 13 . 1 1 53 53 ALA N N 53 123.449 123.449 121.723 1.726 18231 6393 1 13 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.066 -0.129 18231 6394 1 13 . 1 1 53 53 ALA C C 53 174.124 174.124 179.621 -5.497 18231 6395 1 13 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.762 0.201 18231 6396 1 13 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.382 0.491 18231 6397 1 13 . 1 1 53 53 ALA H H 53 7.757 7.757 7.908 -0.151 18231 6398 1 13 . 1 1 54 54 VAL N N 54 116.105 116.105 118.726 -2.621 18231 6399 1 13 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.643 -0.185 18231 6400 1 13 . 1 1 54 54 VAL C C 54 176.953 176.953 177.792 -0.839 18231 6401 1 13 . 1 1 54 54 VAL CA C 54 65.895 65.895 65.832 0.063 18231 6402 1 13 . 1 1 54 54 VAL CB C 54 30.580 30.580 30.629 -0.049 18231 6403 1 13 . 1 1 54 54 VAL H H 54 8.281 8.281 8.038 0.243 18231 6404 1 13 . 1 1 55 55 ASP N N 55 120.466 120.466 120.034 0.432 18231 6405 1 13 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.373 -0.208 18231 6406 1 13 . 1 1 55 55 ASP C C 55 174.997 174.997 178.436 -3.439 18231 6407 1 13 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.476 -0.276 18231 6408 1 13 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.539 -0.020 18231 6409 1 13 . 1 1 55 55 ASP H H 55 7.667 7.667 8.107 -0.440 18231 6410 1 13 . 1 1 56 56 LYS N N 56 119.065 119.065 119.625 -0.560 18231 6411 1 13 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.028 -0.049 18231 6412 1 13 . 1 1 56 56 LYS C C 56 174.602 174.602 179.320 -4.718 18231 6413 1 13 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.482 -0.937 18231 6414 1 13 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.496 -0.896 18231 6415 1 13 . 1 1 56 56 LYS H H 56 7.628 7.628 7.425 0.203 18231 6416 1 13 . 1 1 57 57 VAL N N 57 119.756 119.756 119.919 -0.163 18231 6417 1 13 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.711 0.016 18231 6418 1 13 . 1 1 57 57 VAL C C 57 175.782 175.782 178.022 -2.240 18231 6419 1 13 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.616 -1.017 18231 6420 1 13 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.576 -0.329 18231 6421 1 13 . 1 1 57 57 VAL H H 57 7.920 7.920 8.156 -0.236 18231 6422 1 13 . 1 1 58 58 MET N N 58 118.541 118.541 120.215 -1.674 18231 6423 1 13 . 1 1 58 58 MET HA H 58 3.936 3.936 4.023 -0.087 18231 6424 1 13 . 1 1 58 58 MET C C 58 176.330 176.330 177.946 -1.616 18231 6425 1 13 . 1 1 58 58 MET CA C 58 58.620 58.620 59.489 -0.869 18231 6426 1 13 . 1 1 58 58 MET CB C 58 32.002 32.002 32.389 -0.387 18231 6427 1 13 . 1 1 58 58 MET H H 58 8.426 8.426 8.519 -0.093 18231 6428 1 13 . 1 1 59 59 LYS N N 59 116.084 116.084 118.086 -2.002 18231 6429 1 13 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.970 -0.034 18231 6430 1 13 . 1 1 59 59 LYS C C 59 176.918 176.918 178.632 -1.714 18231 6431 1 13 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.587 -0.912 18231 6432 1 13 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.178 0.423 18231 6433 1 13 . 1 1 59 59 LYS H H 59 7.623 7.623 8.397 -0.774 18231 6434 1 13 . 1 1 60 60 GLU N N 60 117.227 117.227 116.796 0.431 18231 6435 1 13 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.142 -0.087 18231 6436 1 13 . 1 1 60 60 GLU C C 60 175.146 175.146 178.262 -3.116 18231 6437 1 13 . 1 1 60 60 GLU CA C 60 58.031 58.031 57.869 0.162 18231 6438 1 13 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.731 -0.416 18231 6439 1 13 . 1 1 60 60 GLU H H 60 7.592 7.592 7.550 0.042 18231 6440 1 13 . 1 1 61 61 LEU N N 61 116.051 116.051 119.325 -3.274 18231 6441 1 13 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.143 0.220 18231 6442 1 13 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.510 -1.651 18231 6443 1 13 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.688 0.889 18231 6444 1 13 . 1 1 61 61 LEU H H 61 8.045 8.045 7.499 0.546 18231 6445 1 13 . 1 1 62 62 ASP N N 62 116.891 116.891 116.921 -0.030 18231 6446 1 13 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.958 -0.258 18231 6447 1 13 . 1 1 62 62 ASP C C 62 176.806 176.806 176.411 0.395 18231 6448 1 13 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.545 -0.429 18231 6449 1 13 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.531 -1.880 18231 6450 1 13 . 1 1 62 62 ASP H H 62 8.008 8.008 7.914 0.094 18231 6451 1 13 . 1 1 63 63 GLU N N 63 129.185 129.185 127.446 1.739 18231 6452 1 13 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.122 -0.068 18231 6453 1 13 . 1 1 63 63 GLU C C 63 175.826 175.826 177.498 -1.672 18231 6454 1 13 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.525 -0.207 18231 6455 1 13 . 1 1 63 63 GLU CB C 63 30.218 30.218 30.071 0.147 18231 6456 1 13 . 1 1 63 63 GLU H H 63 8.347 8.347 8.687 -0.340 18231 6457 1 13 . 1 1 64 64 ASN N N 64 112.618 112.618 114.878 -2.260 18231 6458 1 13 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.741 0.007 18231 6459 1 13 . 1 1 64 64 ASN C C 64 176.855 176.855 175.904 0.951 18231 6460 1 13 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.417 -0.791 18231 6461 1 13 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.265 -1.392 18231 6462 1 13 . 1 1 64 64 ASN H H 64 7.978 7.978 7.935 0.043 18231 6463 1 13 . 1 1 65 65 GLY N N 65 109.111 109.111 108.642 0.469 18231 6464 1 13 . 1 1 65 65 GLY C C 65 178.426 178.426 175.112 3.314 18231 6465 1 13 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.219 0.820 18231 6466 1 13 . 1 1 65 65 GLY H H 65 7.543 7.543 7.866 -0.323 18231 6467 1 13 . 1 1 66 66 ASP N N 66 119.205 119.205 119.680 -0.475 18231 6468 1 13 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.399 0.142 18231 6469 1 13 . 1 1 66 66 ASP C C 66 176.015 176.015 177.489 -1.474 18231 6470 1 13 . 1 1 66 66 ASP CA C 66 52.839 52.839 55.054 -2.216 18231 6471 1 13 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.973 -1.097 18231 6472 1 13 . 1 1 66 66 ASP H H 66 8.113 8.113 8.502 -0.389 18231 6473 1 13 . 1 1 67 67 GLY N N 67 113.254 113.254 109.220 4.034 18231 6474 1 13 . 1 1 67 67 GLY C C 67 180.780 180.780 173.470 7.310 18231 6475 1 13 . 1 1 67 67 GLY CA C 67 45.213 45.213 45.004 0.209 18231 6476 1 13 . 1 1 67 67 GLY H H 67 10.267 10.267 9.007 1.260 18231 6477 1 13 . 1 1 68 68 GLU N N 68 116.975 116.975 119.086 -2.111 18231 6478 1 13 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.600 0.210 18231 6479 1 13 . 1 1 68 68 GLU C C 68 178.130 178.130 174.421 3.709 18231 6480 1 13 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.849 -0.719 18231 6481 1 13 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.450 2.302 18231 6482 1 13 . 1 1 68 68 GLU H H 68 7.714 7.714 8.745 -1.031 18231 6483 1 13 . 1 1 69 69 VAL N N 69 125.146 125.146 120.984 4.162 18231 6484 1 13 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.575 0.674 18231 6485 1 13 . 1 1 69 69 VAL C C 69 177.413 177.413 174.770 2.643 18231 6486 1 13 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.657 -0.956 18231 6487 1 13 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.206 0.281 18231 6488 1 13 . 1 1 69 69 VAL H H 69 9.389 9.389 7.934 1.455 18231 6489 1 13 . 1 1 70 70 ASP N N 70 129.202 129.202 125.227 3.975 18231 6490 1 13 . 1 1 70 70 ASP HA H 70 5.169 5.169 4.984 0.185 18231 6491 1 13 . 1 1 70 70 ASP C C 70 178.332 178.332 177.002 1.330 18231 6492 1 13 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.477 0.668 18231 6493 1 13 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.322 -3.225 18231 6494 1 13 . 1 1 70 70 ASP H H 70 9.109 9.109 8.264 0.845 18231 6495 1 13 . 1 1 71 71 PHE N N 71 118.298 118.298 124.889 -6.591 18231 6496 1 13 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.815 -0.888 18231 6497 1 13 . 1 1 71 71 PHE C C 71 176.763 176.763 176.850 -0.087 18231 6498 1 13 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.864 1.187 18231 6499 1 13 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.853 0.135 18231 6500 1 13 . 1 1 71 71 PHE H H 71 8.938 8.938 8.677 0.261 18231 6501 1 13 . 1 1 72 72 GLN N N 72 116.762 116.762 117.638 -0.876 18231 6502 1 13 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.765 -0.071 18231 6503 1 13 . 1 1 72 72 GLN C C 72 175.208 175.208 178.118 -2.910 18231 6504 1 13 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.389 -0.170 18231 6505 1 13 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.235 -0.429 18231 6506 1 13 . 1 1 72 72 GLN H H 72 7.997 7.997 8.612 -0.615 18231 6507 1 13 . 1 1 73 73 GLU N N 73 120.146 120.146 120.194 -0.048 18231 6508 1 13 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.962 0.134 18231 6509 1 13 . 1 1 73 73 GLU C C 73 174.746 174.746 178.714 -3.968 18231 6510 1 13 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.349 -1.245 18231 6511 1 13 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.624 0.222 18231 6512 1 13 . 1 1 73 73 GLU H H 73 8.289 8.289 7.723 0.566 18231 6513 1 13 . 1 1 74 74 TYR N N 74 121.506 121.506 121.299 0.207 18231 6514 1 13 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.098 0.015 18231 6515 1 13 . 1 1 74 74 TYR C C 74 176.925 176.925 177.532 -0.607 18231 6516 1 13 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.471 -2.370 18231 6517 1 13 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.529 -1.157 18231 6518 1 13 . 1 1 74 74 TYR H H 74 8.324 8.324 8.334 -0.010 18231 6519 1 13 . 1 1 75 75 VAL N N 75 120.725 120.725 118.461 2.264 18231 6520 1 13 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.144 -0.271 18231 6521 1 13 . 1 1 75 75 VAL C C 75 176.738 176.738 177.667 -0.929 18231 6522 1 13 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.789 -0.909 18231 6523 1 13 . 1 1 75 75 VAL CB C 75 31.000 31.000 31.176 -0.176 18231 6524 1 13 . 1 1 75 75 VAL H H 75 8.074 8.074 8.200 -0.126 18231 6525 1 13 . 1 1 76 76 VAL N N 76 120.118 120.118 119.633 0.485 18231 6526 1 13 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.584 -0.164 18231 6527 1 13 . 1 1 76 76 VAL C C 76 174.620 174.620 177.882 -3.262 18231 6528 1 13 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.422 -0.014 18231 6529 1 13 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.292 -0.516 18231 6530 1 13 . 1 1 76 76 VAL H H 76 7.119 7.119 7.256 -0.137 18231 6531 1 13 . 1 1 77 77 LEU N N 77 120.709 120.709 120.558 0.151 18231 6532 1 13 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.025 0.005 18231 6533 1 13 . 1 1 77 77 LEU C C 77 175.943 175.943 178.609 -2.666 18231 6534 1 13 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.210 -1.270 18231 6535 1 13 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.868 -0.760 18231 6536 1 13 . 1 1 77 77 LEU H H 77 6.865 6.865 7.977 -1.112 18231 6537 1 13 . 1 1 78 78 VAL N N 78 116.930 116.930 115.838 1.092 18231 6538 1 13 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.531 -0.391 18231 6539 1 13 . 1 1 78 78 VAL C C 78 174.150 174.150 177.470 -3.320 18231 6540 1 13 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.895 0.483 18231 6541 1 13 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.765 -0.535 18231 6542 1 13 . 1 1 78 78 VAL H H 78 7.539 7.539 8.018 -0.479 18231 6543 1 13 . 1 1 79 79 ALA N N 79 124.551 124.551 122.469 2.082 18231 6544 1 13 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.910 -0.218 18231 6545 1 13 . 1 1 79 79 ALA C C 79 175.111 175.111 179.197 -4.086 18231 6546 1 13 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.171 0.321 18231 6547 1 13 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.986 -0.523 18231 6548 1 13 . 1 1 79 79 ALA H H 79 8.918 8.918 8.228 0.690 18231 6549 1 13 . 1 1 80 80 ALA N N 80 120.223 120.223 120.963 -0.740 18231 6550 1 13 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.128 -0.063 18231 6551 1 13 . 1 1 80 80 ALA C C 80 171.473 171.473 179.303 -7.830 18231 6552 1 13 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.570 0.356 18231 6553 1 13 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.401 -0.975 18231 6554 1 13 . 1 1 80 80 ALA H H 80 7.760 7.760 7.768 -0.008 18231 6555 1 13 . 1 1 81 81 LEU N N 81 119.090 119.090 119.939 -0.849 18231 6556 1 13 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.027 0.061 18231 6557 1 13 . 1 1 81 81 LEU C C 81 174.008 174.008 178.684 -4.676 18231 6558 1 13 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.834 -0.177 18231 6559 1 13 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.622 0.609 18231 6560 1 13 . 1 1 81 81 LEU H H 81 8.542 8.542 8.017 0.525 18231 6561 1 13 . 1 1 82 82 THR N N 82 119.585 119.585 114.044 5.541 18231 6562 1 13 . 1 1 82 82 THR HA H 82 4.332 4.332 4.013 0.319 18231 6563 1 13 . 1 1 82 82 THR C C 82 176.758 176.758 176.815 -0.057 18231 6564 1 13 . 1 1 82 82 THR CA C 82 67.286 67.286 66.063 1.223 18231 6565 1 13 . 1 1 82 82 THR CB C 82 68.127 68.127 68.510 -0.383 18231 6566 1 13 . 1 1 82 82 THR H H 82 8.421 8.421 8.060 0.361 18231 6567 1 13 . 1 1 83 83 VAL N N 83 121.934 121.934 121.124 0.810 18231 6568 1 13 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.758 -0.043 18231 6569 1 13 . 1 1 83 83 VAL C C 83 175.556 175.556 177.903 -2.347 18231 6570 1 13 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.396 0.507 18231 6571 1 13 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.241 0.305 18231 6572 1 13 . 1 1 83 83 VAL H H 83 8.077 8.077 7.481 0.596 18231 6573 1 13 . 1 1 84 84 ALA N N 84 121.367 121.367 122.051 -0.684 18231 6574 1 13 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.150 0.051 18231 6575 1 13 . 1 1 84 84 ALA C C 84 173.936 173.936 179.274 -5.338 18231 6576 1 13 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.364 -0.084 18231 6577 1 13 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.991 -0.384 18231 6578 1 13 . 1 1 84 84 ALA H H 84 7.835 7.835 8.324 -0.489 18231 6579 1 13 . 1 1 85 85 CYS N N 85 116.731 116.731 116.537 0.194 18231 6580 1 13 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.050 0.187 18231 6581 1 13 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.301 -7.650 18231 6582 1 13 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.619 11.351 18231 6583 1 13 . 1 1 85 85 CYS H H 85 8.244 8.244 7.687 0.557 18231 6584 1 13 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.736 -0.353 18231 6585 1 13 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.426 -1.447 18231 6586 1 13 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.515 1.976 18231 6587 1 13 . 1 1 87 87 ASN N N 87 120.372 120.372 118.945 1.427 18231 6588 1 13 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.742 -0.345 18231 6589 1 13 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.809 -0.840 18231 6590 1 13 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.395 -1.008 18231 6591 1 13 . 1 1 87 87 ASN H H 87 7.539 7.539 7.837 -0.298 18231 6592 1 13 . 1 1 88 88 PHE N N 88 118.684 118.684 120.810 -2.126 18231 6593 1 13 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.336 0.036 18231 6594 1 13 . 1 1 88 88 PHE C C 88 177.050 177.050 177.123 -0.073 18231 6595 1 13 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.881 -2.508 18231 6596 1 13 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.772 0.247 18231 6597 1 13 . 1 1 88 88 PHE H H 88 7.862 7.862 8.470 -0.608 18231 6598 1 13 . 1 1 89 89 PHE N N 89 118.515 118.515 117.736 0.779 18231 6599 1 13 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.093 0.195 18231 6600 1 13 . 1 1 89 89 PHE CA C 89 59.258 59.258 62.011 -2.753 18231 6601 1 13 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.080 1.152 18231 6602 1 13 . 1 1 89 89 PHE H H 89 7.898 7.898 7.690 0.208 18231 6603 1 13 . 1 1 90 90 TRP N N 90 118.964 118.964 118.043 0.921 18231 6604 1 13 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.359 0.126 18231 6605 1 13 . 1 1 90 90 TRP C C 90 174.481 174.481 177.806 -3.325 18231 6606 1 13 . 1 1 90 90 TRP CA C 90 57.371 57.371 58.967 -1.595 18231 6607 1 13 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.324 -0.048 18231 6608 1 13 . 1 1 90 90 TRP H H 90 7.773 7.773 7.487 0.286 18231 6609 1 13 . 1 1 91 91 GLU N N 91 120.150 120.150 117.157 2.993 18231 6610 1 13 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.015 0.042 18231 6611 1 13 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.748 0.230 18231 6612 1 13 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.816 0.278 18231 6613 1 13 . 1 1 91 91 GLU H H 91 7.812 7.812 7.721 0.091 18231 6614 1 13 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.288 0.380 18231 6615 1 13 . 1 1 92 92 ASN C C 92 175.577 175.577 174.040 1.537 18231 6616 1 13 . 1 1 92 92 ASN CA C 92 52.806 52.806 53.729 -0.923 18231 6617 1 13 . 1 1 92 92 ASN CB C 92 38.795 38.795 37.266 1.530 18231 6618 1 14 . 1 1 2 2 SER N N 2 118.234 118.234 116.022 2.212 18231 6619 1 14 . 1 1 2 2 SER HA H 2 4.750 4.750 4.449 0.301 18231 6620 1 14 . 1 1 2 2 SER C C 2 178.105 178.105 175.935 2.170 18231 6621 1 14 . 1 1 2 2 SER CA C 2 57.133 57.133 57.783 -0.650 18231 6622 1 14 . 1 1 2 2 SER CB C 2 64.624 64.624 64.060 0.564 18231 6623 1 14 . 1 1 2 2 SER H H 2 9.007 9.007 8.562 0.445 18231 6624 1 14 . 1 1 3 3 GLU N N 3 123.466 123.466 122.208 1.258 18231 6625 1 14 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.083 0.056 18231 6626 1 14 . 1 1 3 3 GLU C C 3 173.854 173.854 179.018 -5.164 18231 6627 1 14 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.989 1.121 18231 6628 1 14 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.573 -0.673 18231 6629 1 14 . 1 1 3 3 GLU H H 3 9.436 9.436 8.827 0.609 18231 6630 1 14 . 1 1 4 4 LEU N N 4 119.878 119.878 118.831 1.047 18231 6631 1 14 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.020 0.066 18231 6632 1 14 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.491 0.418 18231 6633 1 14 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.307 0.098 18231 6634 1 14 . 1 1 4 4 LEU H H 4 8.891 8.891 8.150 0.741 18231 6635 1 14 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.013 -0.002 18231 6636 1 14 . 1 1 5 5 GLU C C 5 173.709 173.709 178.675 -4.966 18231 6637 1 14 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.252 0.345 18231 6638 1 14 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.539 -0.484 18231 6639 1 14 . 1 1 6 6 THR N N 6 116.614 116.614 116.467 0.147 18231 6640 1 14 . 1 1 6 6 THR HA H 6 4.019 4.019 4.084 -0.065 18231 6641 1 14 . 1 1 6 6 THR C C 6 176.965 176.965 176.292 0.673 18231 6642 1 14 . 1 1 6 6 THR CA C 6 66.175 66.175 66.308 -0.133 18231 6643 1 14 . 1 1 6 6 THR CB C 6 68.280 68.280 68.368 -0.088 18231 6644 1 14 . 1 1 6 6 THR H H 6 8.316 8.316 7.512 0.804 18231 6645 1 14 . 1 1 7 7 ALA N N 7 126.118 126.118 124.826 1.292 18231 6646 1 14 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.148 -0.012 18231 6647 1 14 . 1 1 7 7 ALA C C 7 173.544 173.544 179.703 -6.159 18231 6648 1 14 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.904 -0.066 18231 6649 1 14 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.246 -0.796 18231 6650 1 14 . 1 1 7 7 ALA H H 7 8.167 8.167 7.684 0.483 18231 6651 1 14 . 1 1 8 8 MET N N 8 117.610 117.610 117.173 0.437 18231 6652 1 14 . 1 1 8 8 MET HA H 8 4.174 4.174 4.049 0.125 18231 6653 1 14 . 1 1 8 8 MET C C 8 175.513 175.513 178.737 -3.224 18231 6654 1 14 . 1 1 8 8 MET CA C 8 61.988 61.988 59.600 2.388 18231 6655 1 14 . 1 1 8 8 MET CB C 8 26.277 26.277 32.515 -6.238 18231 6656 1 14 . 1 1 8 8 MET H H 8 8.286 8.286 7.672 0.614 18231 6657 1 14 . 1 1 9 9 GLU N N 9 117.751 117.751 118.926 -1.175 18231 6658 1 14 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.074 -0.154 18231 6659 1 14 . 1 1 9 9 GLU C C 9 174.479 174.479 178.989 -4.510 18231 6660 1 14 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.287 0.132 18231 6661 1 14 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.650 -0.636 18231 6662 1 14 . 1 1 9 9 GLU H H 9 8.055 8.055 7.806 0.249 18231 6663 1 14 . 1 1 10 10 THR N N 10 117.936 117.936 114.809 3.127 18231 6664 1 14 . 1 1 10 10 THR HA H 10 4.083 4.083 4.074 0.009 18231 6665 1 14 . 1 1 10 10 THR C C 10 177.781 177.781 176.797 0.984 18231 6666 1 14 . 1 1 10 10 THR CA C 10 66.869 66.869 66.416 0.453 18231 6667 1 14 . 1 1 10 10 THR CB C 10 67.663 67.663 68.737 -1.074 18231 6668 1 14 . 1 1 10 10 THR H H 10 8.398 8.398 8.326 0.072 18231 6669 1 14 . 1 1 11 11 LEU N N 11 119.632 119.632 121.415 -1.783 18231 6670 1 14 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.296 -0.340 18231 6671 1 14 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.370 0.498 18231 6672 1 14 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.119 0.478 18231 6673 1 14 . 1 1 11 11 LEU H H 11 8.134 8.134 7.490 0.644 18231 6674 1 14 . 1 1 12 12 ILE N N 12 119.532 119.532 119.845 -0.313 18231 6675 1 14 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.168 0.800 18231 6676 1 14 . 1 1 12 12 ILE C C 12 175.378 175.378 178.064 -2.686 18231 6677 1 14 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.535 -0.163 18231 6678 1 14 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.354 1.578 18231 6679 1 14 . 1 1 12 12 ILE H H 12 7.751 7.751 7.680 0.071 18231 6680 1 14 . 1 1 13 13 ASN N N 13 121.617 121.617 118.585 3.032 18231 6681 1 14 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.436 0.091 18231 6682 1 14 . 1 1 13 13 ASN C C 13 174.457 174.457 177.638 -3.181 18231 6683 1 14 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.648 -0.587 18231 6684 1 14 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.672 -1.015 18231 6685 1 14 . 1 1 13 13 ASN H H 13 9.012 9.012 8.329 0.683 18231 6686 1 14 . 1 1 14 14 VAL N N 14 120.538 120.538 117.262 3.276 18231 6687 1 14 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.760 0.055 18231 6688 1 14 . 1 1 14 14 VAL C C 14 176.194 176.194 177.532 -1.338 18231 6689 1 14 . 1 1 14 14 VAL CA C 14 66.080 66.080 66.853 -0.773 18231 6690 1 14 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.823 -0.252 18231 6691 1 14 . 1 1 14 14 VAL H H 14 8.951 8.951 8.236 0.715 18231 6692 1 14 . 1 1 15 15 PHE N N 15 117.397 117.397 121.744 -4.347 18231 6693 1 14 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.066 -0.597 18231 6694 1 14 . 1 1 15 15 PHE C C 15 176.028 176.028 177.122 -1.094 18231 6695 1 14 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.310 -0.147 18231 6696 1 14 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.200 -0.265 18231 6697 1 14 . 1 1 15 15 PHE H H 15 6.953 6.953 8.558 -1.605 18231 6698 1 14 . 1 1 16 16 HIS N N 16 115.032 115.032 121.025 -5.993 18231 6699 1 14 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.191 0.645 18231 6700 1 14 . 1 1 16 16 HIS C C 16 176.028 176.028 177.331 -1.303 18231 6701 1 14 . 1 1 16 16 HIS CA C 16 58.017 58.017 58.430 -0.413 18231 6702 1 14 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.469 -1.188 18231 6703 1 14 . 1 1 16 16 HIS H H 16 7.736 7.736 8.605 -0.869 18231 6704 1 14 . 1 1 17 17 ALA N N 17 123.252 123.252 121.257 1.995 18231 6705 1 14 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.616 0.432 18231 6706 1 14 . 1 1 17 17 ALA C C 17 174.507 174.507 179.795 -5.288 18231 6707 1 14 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.691 -0.996 18231 6708 1 14 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.845 -0.491 18231 6709 1 14 . 1 1 17 17 ALA H H 17 8.070 8.070 7.991 0.079 18231 6710 1 14 . 1 1 18 18 HIS N N 18 113.812 113.812 117.064 -3.252 18231 6711 1 14 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.236 0.154 18231 6712 1 14 . 1 1 18 18 HIS C C 18 177.747 177.747 178.499 -0.752 18231 6713 1 14 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.152 -2.217 18231 6714 1 14 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.715 2.425 18231 6715 1 14 . 1 1 18 18 HIS H H 18 7.043 7.043 8.126 -1.083 18231 6716 1 14 . 1 1 19 19 SER N N 19 113.634 113.634 115.685 -2.051 18231 6717 1 14 . 1 1 19 19 SER HA H 19 3.673 3.673 4.199 -0.526 18231 6718 1 14 . 1 1 19 19 SER C C 19 176.511 176.511 177.148 -0.637 18231 6719 1 14 . 1 1 19 19 SER CA C 19 60.926 60.926 60.637 0.289 18231 6720 1 14 . 1 1 19 19 SER CB C 19 60.919 60.919 62.696 -1.777 18231 6721 1 14 . 1 1 19 19 SER H H 19 8.489 8.489 8.266 0.223 18231 6722 1 14 . 1 1 20 20 GLY N N 20 111.572 111.572 109.875 1.697 18231 6723 1 14 . 1 1 20 20 GLY C C 20 179.798 179.798 175.546 4.252 18231 6724 1 14 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.259 -1.167 18231 6725 1 14 . 1 1 20 20 GLY H H 20 7.734 7.734 8.476 -0.742 18231 6726 1 14 . 1 1 21 21 LYS N N 21 122.204 122.204 121.788 0.416 18231 6727 1 14 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.039 -0.115 18231 6728 1 14 . 1 1 21 21 LYS C C 21 176.162 176.162 177.224 -1.062 18231 6729 1 14 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.670 0.426 18231 6730 1 14 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.675 -0.774 18231 6731 1 14 . 1 1 21 21 LYS H H 21 7.196 7.196 7.684 -0.488 18231 6732 1 14 . 1 1 22 22 GLU N N 22 115.840 115.840 117.878 -2.038 18231 6733 1 14 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.468 0.199 18231 6734 1 14 . 1 1 22 22 GLU C C 22 176.511 176.511 176.007 0.504 18231 6735 1 14 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.399 -1.618 18231 6736 1 14 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.360 3.281 18231 6737 1 14 . 1 1 22 22 GLU H H 22 9.363 9.363 7.715 1.648 18231 6738 1 14 . 1 1 23 23 GLY N N 23 111.558 111.558 110.831 0.727 18231 6739 1 14 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.447 0.053 18231 6740 1 14 . 1 1 23 23 GLY H H 23 7.710 7.710 8.081 -0.371 18231 6741 1 14 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.413 -0.005 18231 6742 1 14 . 1 1 24 24 ASP C C 24 173.495 173.495 177.118 -3.623 18231 6743 1 14 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.876 -0.159 18231 6744 1 14 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.581 2.478 18231 6745 1 14 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.957 0.330 18231 6746 1 14 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.474 -1.945 18231 6747 1 14 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.406 -1.497 18231 6748 1 14 . 1 1 26 26 TYR N N 26 119.467 119.467 114.829 4.638 18231 6749 1 14 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.430 0.281 18231 6750 1 14 . 1 1 26 26 TYR C C 26 179.682 179.682 175.992 3.690 18231 6751 1 14 . 1 1 26 26 TYR CA C 26 55.824 55.824 60.065 -4.241 18231 6752 1 14 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.406 -0.735 18231 6753 1 14 . 1 1 26 26 TYR H H 26 9.377 9.377 8.457 0.920 18231 6754 1 14 . 1 1 27 27 LYS N N 27 114.770 114.770 118.817 -4.047 18231 6755 1 14 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.672 0.450 18231 6756 1 14 . 1 1 27 27 LYS C C 27 178.721 178.721 175.148 3.573 18231 6757 1 14 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.923 -0.196 18231 6758 1 14 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.235 3.254 18231 6759 1 14 . 1 1 27 27 LYS H H 27 7.100 7.100 7.674 -0.574 18231 6760 1 14 . 1 1 28 28 LEU N N 28 125.858 125.858 127.541 -1.683 18231 6761 1 14 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.909 0.274 18231 6762 1 14 . 1 1 28 28 LEU C C 28 177.490 177.490 175.244 2.246 18231 6763 1 14 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.547 -1.214 18231 6764 1 14 . 1 1 28 28 LEU CB C 28 42.586 42.586 45.710 -3.124 18231 6765 1 14 . 1 1 28 28 LEU H H 28 9.750 9.750 8.317 1.433 18231 6766 1 14 . 1 1 29 29 SER N N 29 120.926 120.926 119.930 0.996 18231 6767 1 14 . 1 1 29 29 SER HA H 29 4.560 4.560 4.834 -0.274 18231 6768 1 14 . 1 1 29 29 SER C C 29 178.943 178.943 175.070 3.873 18231 6769 1 14 . 1 1 29 29 SER CA C 29 55.907 55.907 57.274 -1.367 18231 6770 1 14 . 1 1 29 29 SER CB C 29 65.035 65.035 65.901 -0.866 18231 6771 1 14 . 1 1 29 29 SER H H 29 9.907 9.907 9.121 0.786 18231 6772 1 14 . 1 1 30 30 LYS N N 30 120.263 120.263 124.430 -4.167 18231 6773 1 14 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.866 -0.015 18231 6774 1 14 . 1 1 30 30 LYS C C 30 175.519 175.519 178.545 -3.026 18231 6775 1 14 . 1 1 30 30 LYS CA C 30 60.660 60.660 61.025 -0.365 18231 6776 1 14 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.330 -0.592 18231 6777 1 14 . 1 1 30 30 LYS H H 30 8.838 8.838 9.009 -0.171 18231 6778 1 14 . 1 1 31 31 LYS N N 31 118.292 118.292 117.633 0.659 18231 6779 1 14 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.021 -0.099 18231 6780 1 14 . 1 1 31 31 LYS C C 31 174.664 174.664 179.181 -4.517 18231 6781 1 14 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.709 -0.411 18231 6782 1 14 . 1 1 31 31 LYS CB C 31 32.665 32.665 31.708 0.957 18231 6783 1 14 . 1 1 31 31 LYS H H 31 7.903 7.903 8.597 -0.694 18231 6784 1 14 . 1 1 32 32 GLU N N 32 119.243 119.243 119.030 0.213 18231 6785 1 14 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.006 -0.099 18231 6786 1 14 . 1 1 32 32 GLU C C 32 174.836 174.836 178.873 -4.037 18231 6787 1 14 . 1 1 32 32 GLU CA C 32 58.316 58.316 58.943 -0.627 18231 6788 1 14 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.393 1.484 18231 6789 1 14 . 1 1 32 32 GLU H H 32 7.499 7.499 8.161 -0.662 18231 6790 1 14 . 1 1 33 33 LEU N N 33 119.432 119.432 120.813 -1.381 18231 6791 1 14 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.017 -0.099 18231 6792 1 14 . 1 1 33 33 LEU C C 33 175.740 175.740 178.043 -2.303 18231 6793 1 14 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.474 -0.205 18231 6794 1 14 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.726 -0.745 18231 6795 1 14 . 1 1 33 33 LEU H H 33 9.062 9.062 8.595 0.467 18231 6796 1 14 . 1 1 34 34 LYS N N 34 119.090 119.090 119.612 -0.522 18231 6797 1 14 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.884 -0.230 18231 6798 1 14 . 1 1 34 34 LYS C C 34 175.916 175.916 178.299 -2.383 18231 6799 1 14 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.303 -0.019 18231 6800 1 14 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.118 -0.718 18231 6801 1 14 . 1 1 34 34 LYS H H 34 8.236 8.236 8.704 -0.468 18231 6802 1 14 . 1 1 35 35 GLU N N 35 117.482 117.482 118.744 -1.262 18231 6803 1 14 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.971 0.026 18231 6804 1 14 . 1 1 35 35 GLU C C 35 174.549 174.549 178.914 -4.365 18231 6805 1 14 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.394 -0.165 18231 6806 1 14 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.151 -0.318 18231 6807 1 14 . 1 1 35 35 GLU H H 35 7.734 7.734 7.790 -0.056 18231 6808 1 14 . 1 1 36 36 LEU N N 36 124.601 124.601 119.636 4.965 18231 6809 1 14 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.938 -1.250 18231 6810 1 14 . 1 1 36 36 LEU C C 36 174.780 174.780 179.068 -4.288 18231 6811 1 14 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.910 1.417 18231 6812 1 14 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.009 0.626 18231 6813 1 14 . 1 1 36 36 LEU H H 36 8.308 8.308 7.155 1.153 18231 6814 1 14 . 1 1 37 37 LEU N N 37 118.901 118.901 118.722 0.179 18231 6815 1 14 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.993 -0.260 18231 6816 1 14 . 1 1 37 37 LEU C C 37 174.771 174.771 179.496 -4.725 18231 6817 1 14 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.912 0.001 18231 6818 1 14 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.272 0.014 18231 6819 1 14 . 1 1 37 37 LEU H H 37 8.663 8.663 8.552 0.111 18231 6820 1 14 . 1 1 38 38 GLN N N 38 114.582 114.582 118.344 -3.762 18231 6821 1 14 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.001 -0.044 18231 6822 1 14 . 1 1 38 38 GLN C C 38 175.747 175.747 177.627 -1.880 18231 6823 1 14 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.852 -0.681 18231 6824 1 14 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.822 -0.193 18231 6825 1 14 . 1 1 38 38 GLN H H 38 8.507 8.507 8.370 0.137 18231 6826 1 14 . 1 1 39 39 THR N N 39 110.227 110.227 114.485 -4.258 18231 6827 1 14 . 1 1 39 39 THR HA H 39 4.252 4.252 3.860 0.392 18231 6828 1 14 . 1 1 39 39 THR C C 39 176.966 176.966 176.127 0.839 18231 6829 1 14 . 1 1 39 39 THR CA C 39 64.485 64.485 65.608 -1.123 18231 6830 1 14 . 1 1 39 39 THR CB C 39 69.254 69.254 68.673 0.581 18231 6831 1 14 . 1 1 39 39 THR H H 39 7.845 7.845 7.816 0.029 18231 6832 1 14 . 1 1 40 40 GLU N N 40 117.400 117.400 119.004 -1.604 18231 6833 1 14 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.158 -0.008 18231 6834 1 14 . 1 1 40 40 GLU C C 40 177.343 177.343 176.989 0.354 18231 6835 1 14 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.572 -2.002 18231 6836 1 14 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.073 -0.492 18231 6837 1 14 . 1 1 40 40 GLU H H 40 8.460 8.460 7.950 0.510 18231 6838 1 14 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.588 0.439 18231 6839 1 14 . 1 1 41 41 LEU C C 41 176.458 176.458 177.932 -1.474 18231 6840 1 14 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.796 -1.361 18231 6841 1 14 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.416 0.891 18231 6842 1 14 . 1 1 42 42 SER N N 42 116.528 116.528 120.936 -4.408 18231 6843 1 14 . 1 1 42 42 SER HA H 42 4.062 4.062 4.423 -0.361 18231 6844 1 14 . 1 1 42 42 SER CA C 42 61.213 61.213 61.435 -0.222 18231 6845 1 14 . 1 1 42 42 SER CB C 42 62.378 62.378 62.826 -0.448 18231 6846 1 14 . 1 1 42 42 SER H H 42 8.246 8.246 9.007 -0.761 18231 6847 1 14 . 1 1 43 43 GLY N N 43 111.367 111.367 109.190 2.177 18231 6848 1 14 . 1 1 43 43 GLY C C 43 177.750 177.750 175.610 2.140 18231 6849 1 14 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.318 -0.580 18231 6850 1 14 . 1 1 43 43 GLY H H 43 8.850 8.850 8.571 0.279 18231 6851 1 14 . 1 1 44 44 PHE N N 44 122.213 122.213 121.016 1.197 18231 6852 1 14 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.122 0.241 18231 6853 1 14 . 1 1 44 44 PHE C C 44 176.428 176.428 177.089 -0.661 18231 6854 1 14 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.495 0.018 18231 6855 1 14 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.274 1.058 18231 6856 1 14 . 1 1 44 44 PHE H H 44 7.936 7.936 8.045 -0.109 18231 6857 1 14 . 1 1 45 45 LEU N N 45 119.395 119.395 120.656 -1.261 18231 6858 1 14 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.423 0.608 18231 6859 1 14 . 1 1 45 45 LEU C C 45 177.212 177.212 179.149 -1.937 18231 6860 1 14 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.389 -0.021 18231 6861 1 14 . 1 1 45 45 LEU CB C 45 40.041 40.041 39.834 0.207 18231 6862 1 14 . 1 1 45 45 LEU H H 45 8.133 8.133 6.742 1.391 18231 6863 1 14 . 1 1 46 46 ASP N N 46 117.384 117.384 119.282 -1.898 18231 6864 1 14 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.365 0.017 18231 6865 1 14 . 1 1 46 46 ASP C C 46 176.684 176.684 178.494 -1.810 18231 6866 1 14 . 1 1 46 46 ASP CA C 46 55.312 55.312 57.060 -1.748 18231 6867 1 14 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.994 0.546 18231 6868 1 14 . 1 1 46 46 ASP H H 46 8.139 8.139 8.511 -0.372 18231 6869 1 14 . 1 1 47 47 ALA N N 47 121.052 121.052 121.822 -0.770 18231 6870 1 14 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.023 0.141 18231 6871 1 14 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.718 -2.173 18231 6872 1 14 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.534 -0.185 18231 6873 1 14 . 1 1 47 47 ALA H H 47 7.637 7.637 7.766 -0.129 18231 6874 1 14 . 1 1 48 48 GLN N N 48 116.271 116.271 116.749 -0.478 18231 6875 1 14 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.051 0.089 18231 6876 1 14 . 1 1 48 48 GLN CA C 48 54.979 54.979 57.810 -2.831 18231 6877 1 14 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.553 -0.482 18231 6878 1 14 . 1 1 48 48 GLN H H 48 7.661 7.661 7.706 -0.045 18231 6879 1 14 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.260 -0.131 18231 6880 1 14 . 1 1 49 49 LYS C C 49 177.345 177.345 175.268 2.077 18231 6881 1 14 . 1 1 49 49 LYS CA C 49 56.247 56.247 56.509 -0.262 18231 6882 1 14 . 1 1 49 49 LYS CB C 49 31.780 31.780 33.081 -1.301 18231 6883 1 14 . 1 1 50 50 ASP N N 50 118.526 118.526 122.125 -3.599 18231 6884 1 14 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.369 0.288 18231 6885 1 14 . 1 1 50 50 ASP C C 50 177.422 177.422 177.107 0.315 18231 6886 1 14 . 1 1 50 50 ASP CA C 50 53.834 53.834 55.284 -1.450 18231 6887 1 14 . 1 1 50 50 ASP CB C 50 41.689 41.689 39.426 2.263 18231 6888 1 14 . 1 1 50 50 ASP H H 50 7.975 7.975 8.882 -0.907 18231 6889 1 14 . 1 1 51 51 VAL N N 51 120.868 120.868 118.651 2.217 18231 6890 1 14 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.758 0.222 18231 6891 1 14 . 1 1 51 51 VAL C C 51 177.212 177.212 176.866 0.346 18231 6892 1 14 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.523 -2.174 18231 6893 1 14 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.152 -0.416 18231 6894 1 14 . 1 1 51 51 VAL H H 51 8.225 8.225 8.290 -0.065 18231 6895 1 14 . 1 1 52 52 ASP N N 52 121.054 121.054 120.269 0.785 18231 6896 1 14 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.297 0.481 18231 6897 1 14 . 1 1 52 52 ASP C C 52 176.912 176.912 177.864 -0.952 18231 6898 1 14 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.403 -4.014 18231 6899 1 14 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.926 0.146 18231 6900 1 14 . 1 1 52 52 ASP H H 52 8.403 8.403 8.378 0.025 18231 6901 1 14 . 1 1 53 53 ALA N N 53 123.449 123.449 122.530 0.919 18231 6902 1 14 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.089 -0.152 18231 6903 1 14 . 1 1 53 53 ALA C C 53 174.124 174.124 179.389 -5.265 18231 6904 1 14 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.818 0.145 18231 6905 1 14 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.303 0.570 18231 6906 1 14 . 1 1 53 53 ALA H H 53 7.757 7.757 7.980 -0.223 18231 6907 1 14 . 1 1 54 54 VAL N N 54 116.105 116.105 118.611 -2.506 18231 6908 1 14 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.545 -0.087 18231 6909 1 14 . 1 1 54 54 VAL C C 54 176.953 176.953 177.451 -0.498 18231 6910 1 14 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.661 -0.766 18231 6911 1 14 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.324 -0.744 18231 6912 1 14 . 1 1 54 54 VAL H H 54 8.281 8.281 8.148 0.133 18231 6913 1 14 . 1 1 55 55 ASP N N 55 120.466 120.466 119.708 0.758 18231 6914 1 14 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.402 -0.237 18231 6915 1 14 . 1 1 55 55 ASP C C 55 174.997 174.997 178.221 -3.224 18231 6916 1 14 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.224 -0.024 18231 6917 1 14 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.358 0.162 18231 6918 1 14 . 1 1 55 55 ASP H H 55 7.667 7.667 8.109 -0.442 18231 6919 1 14 . 1 1 56 56 LYS N N 56 119.065 119.065 119.384 -0.319 18231 6920 1 14 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.032 -0.053 18231 6921 1 14 . 1 1 56 56 LYS C C 56 174.602 174.602 179.322 -4.720 18231 6922 1 14 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.367 -0.822 18231 6923 1 14 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.545 -0.945 18231 6924 1 14 . 1 1 56 56 LYS H H 56 7.628 7.628 7.381 0.247 18231 6925 1 14 . 1 1 57 57 VAL N N 57 119.756 119.756 119.810 -0.054 18231 6926 1 14 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.626 0.101 18231 6927 1 14 . 1 1 57 57 VAL C C 57 175.782 175.782 177.892 -2.110 18231 6928 1 14 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.383 -0.784 18231 6929 1 14 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.919 -0.672 18231 6930 1 14 . 1 1 57 57 VAL H H 57 7.920 7.920 8.117 -0.197 18231 6931 1 14 . 1 1 58 58 MET N N 58 118.541 118.541 119.795 -1.254 18231 6932 1 14 . 1 1 58 58 MET HA H 58 3.936 3.936 4.042 -0.106 18231 6933 1 14 . 1 1 58 58 MET C C 58 176.330 176.330 177.442 -1.112 18231 6934 1 14 . 1 1 58 58 MET CA C 58 58.620 58.620 59.083 -0.463 18231 6935 1 14 . 1 1 58 58 MET CB C 58 32.002 32.002 32.258 -0.256 18231 6936 1 14 . 1 1 58 58 MET H H 58 8.426 8.426 8.295 0.131 18231 6937 1 14 . 1 1 59 59 LYS N N 59 116.084 116.084 118.064 -1.980 18231 6938 1 14 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.983 -0.047 18231 6939 1 14 . 1 1 59 59 LYS C C 59 176.918 176.918 178.071 -1.153 18231 6940 1 14 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.286 -0.612 18231 6941 1 14 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.043 0.559 18231 6942 1 14 . 1 1 59 59 LYS H H 59 7.623 7.623 7.720 -0.097 18231 6943 1 14 . 1 1 60 60 GLU N N 60 117.227 117.227 116.888 0.339 18231 6944 1 14 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.084 -0.029 18231 6945 1 14 . 1 1 60 60 GLU C C 60 175.146 175.146 178.217 -3.071 18231 6946 1 14 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.275 -0.244 18231 6947 1 14 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.703 -0.388 18231 6948 1 14 . 1 1 60 60 GLU H H 60 7.592 7.592 7.560 0.032 18231 6949 1 14 . 1 1 61 61 LEU N N 61 116.051 116.051 117.591 -1.540 18231 6950 1 14 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.161 0.202 18231 6951 1 14 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.718 -1.859 18231 6952 1 14 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.418 1.159 18231 6953 1 14 . 1 1 61 61 LEU H H 61 8.045 8.045 7.287 0.758 18231 6954 1 14 . 1 1 62 62 ASP N N 62 116.891 116.891 117.140 -0.249 18231 6955 1 14 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.953 -0.253 18231 6956 1 14 . 1 1 62 62 ASP C C 62 176.806 176.806 176.603 0.203 18231 6957 1 14 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.595 -0.479 18231 6958 1 14 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.795 -2.144 18231 6959 1 14 . 1 1 62 62 ASP H H 62 8.008 8.008 8.006 0.002 18231 6960 1 14 . 1 1 63 63 GLU N N 63 129.185 129.185 125.728 3.457 18231 6961 1 14 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.064 -0.010 18231 6962 1 14 . 1 1 63 63 GLU C C 63 175.826 175.826 177.977 -2.151 18231 6963 1 14 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.401 -0.083 18231 6964 1 14 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.984 0.234 18231 6965 1 14 . 1 1 63 63 GLU H H 63 8.347 8.347 8.138 0.209 18231 6966 1 14 . 1 1 64 64 ASN N N 64 112.618 112.618 118.226 -5.608 18231 6967 1 14 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.548 0.200 18231 6968 1 14 . 1 1 64 64 ASN C C 64 176.855 176.855 176.036 0.819 18231 6969 1 14 . 1 1 64 64 ASN CA C 64 51.626 51.626 54.952 -3.326 18231 6970 1 14 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.803 -1.930 18231 6971 1 14 . 1 1 64 64 ASN H H 64 7.978 7.978 7.874 0.104 18231 6972 1 14 . 1 1 65 65 GLY N N 65 109.111 109.111 105.126 3.985 18231 6973 1 14 . 1 1 65 65 GLY C C 65 178.426 178.426 174.534 3.892 18231 6974 1 14 . 1 1 65 65 GLY CA C 65 47.039 47.039 45.282 1.757 18231 6975 1 14 . 1 1 65 65 GLY H H 65 7.543 7.543 8.779 -1.236 18231 6976 1 14 . 1 1 66 66 ASP N N 66 119.205 119.205 120.372 -1.167 18231 6977 1 14 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.443 0.098 18231 6978 1 14 . 1 1 66 66 ASP C C 66 176.015 176.015 177.758 -1.743 18231 6979 1 14 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.411 -1.572 18231 6980 1 14 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.743 -0.867 18231 6981 1 14 . 1 1 66 66 ASP H H 66 8.113 8.113 7.757 0.356 18231 6982 1 14 . 1 1 67 67 GLY N N 67 113.254 113.254 108.413 4.841 18231 6983 1 14 . 1 1 67 67 GLY C C 67 180.780 180.780 173.664 7.116 18231 6984 1 14 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.964 0.249 18231 6985 1 14 . 1 1 67 67 GLY H H 67 10.267 10.267 9.219 1.048 18231 6986 1 14 . 1 1 68 68 GLU N N 68 116.975 116.975 119.283 -2.308 18231 6987 1 14 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.649 0.161 18231 6988 1 14 . 1 1 68 68 GLU C C 68 178.130 178.130 174.761 3.369 18231 6989 1 14 . 1 1 68 68 GLU CA C 68 54.130 54.130 55.058 -0.928 18231 6990 1 14 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.275 2.477 18231 6991 1 14 . 1 1 68 68 GLU H H 68 7.714 7.714 8.855 -1.141 18231 6992 1 14 . 1 1 69 69 VAL N N 69 125.146 125.146 120.881 4.265 18231 6993 1 14 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.838 0.411 18231 6994 1 14 . 1 1 69 69 VAL C C 69 177.413 177.413 174.844 2.569 18231 6995 1 14 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.048 -0.346 18231 6996 1 14 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.581 -0.094 18231 6997 1 14 . 1 1 69 69 VAL H H 69 9.389 9.389 8.276 1.113 18231 6998 1 14 . 1 1 70 70 ASP N N 70 129.202 129.202 124.980 4.222 18231 6999 1 14 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.095 0.074 18231 7000 1 14 . 1 1 70 70 ASP C C 70 178.332 178.332 176.810 1.522 18231 7001 1 14 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.467 0.678 18231 7002 1 14 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.363 -3.266 18231 7003 1 14 . 1 1 70 70 ASP H H 70 9.109 9.109 8.604 0.505 18231 7004 1 14 . 1 1 71 71 PHE N N 71 118.298 118.298 125.128 -6.830 18231 7005 1 14 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.494 -0.567 18231 7006 1 14 . 1 1 71 71 PHE C C 71 176.763 176.763 176.258 0.505 18231 7007 1 14 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.696 1.355 18231 7008 1 14 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.919 0.070 18231 7009 1 14 . 1 1 71 71 PHE H H 71 8.938 8.938 8.737 0.201 18231 7010 1 14 . 1 1 72 72 GLN N N 72 116.762 116.762 118.530 -1.768 18231 7011 1 14 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.711 -0.017 18231 7012 1 14 . 1 1 72 72 GLN C C 72 175.208 175.208 177.965 -2.757 18231 7013 1 14 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.742 -0.523 18231 7014 1 14 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.070 -0.264 18231 7015 1 14 . 1 1 72 72 GLN H H 72 7.997 7.997 8.724 -0.727 18231 7016 1 14 . 1 1 73 73 GLU N N 73 120.146 120.146 119.928 0.218 18231 7017 1 14 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.999 0.097 18231 7018 1 14 . 1 1 73 73 GLU C C 73 174.746 174.746 178.856 -4.110 18231 7019 1 14 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.390 -1.286 18231 7020 1 14 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.509 0.337 18231 7021 1 14 . 1 1 73 73 GLU H H 73 8.289 8.289 7.545 0.744 18231 7022 1 14 . 1 1 74 74 TYR N N 74 121.506 121.506 121.398 0.108 18231 7023 1 14 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.133 -0.020 18231 7024 1 14 . 1 1 74 74 TYR C C 74 176.925 176.925 177.501 -0.576 18231 7025 1 14 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.764 -2.663 18231 7026 1 14 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.730 -1.358 18231 7027 1 14 . 1 1 74 74 TYR H H 74 8.324 8.324 8.639 -0.315 18231 7028 1 14 . 1 1 75 75 VAL N N 75 120.725 120.725 118.815 1.910 18231 7029 1 14 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.162 -0.289 18231 7030 1 14 . 1 1 75 75 VAL C C 75 176.738 176.738 177.576 -0.838 18231 7031 1 14 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.834 -0.954 18231 7032 1 14 . 1 1 75 75 VAL CB C 75 31.000 31.000 31.252 -0.252 18231 7033 1 14 . 1 1 75 75 VAL H H 75 8.074 8.074 8.233 -0.159 18231 7034 1 14 . 1 1 76 76 VAL N N 76 120.118 120.118 119.626 0.492 18231 7035 1 14 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.491 -0.071 18231 7036 1 14 . 1 1 76 76 VAL C C 76 174.620 174.620 177.886 -3.266 18231 7037 1 14 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.490 -0.081 18231 7038 1 14 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.628 -0.852 18231 7039 1 14 . 1 1 76 76 VAL H H 76 7.119 7.119 7.303 -0.184 18231 7040 1 14 . 1 1 77 77 LEU N N 77 120.709 120.709 120.520 0.189 18231 7041 1 14 . 1 1 77 77 LEU HA H 77 4.030 4.030 3.983 0.047 18231 7042 1 14 . 1 1 77 77 LEU C C 77 175.943 175.943 178.497 -2.554 18231 7043 1 14 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.200 -1.260 18231 7044 1 14 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.959 -0.851 18231 7045 1 14 . 1 1 77 77 LEU H H 77 6.865 6.865 7.904 -1.039 18231 7046 1 14 . 1 1 78 78 VAL N N 78 116.930 116.930 115.203 1.727 18231 7047 1 14 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.639 -0.499 18231 7048 1 14 . 1 1 78 78 VAL C C 78 174.150 174.150 177.516 -3.366 18231 7049 1 14 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.475 0.902 18231 7050 1 14 . 1 1 78 78 VAL CB C 78 30.229 30.229 31.034 -0.805 18231 7051 1 14 . 1 1 78 78 VAL H H 78 7.539 7.539 7.974 -0.435 18231 7052 1 14 . 1 1 79 79 ALA N N 79 124.551 124.551 122.281 2.270 18231 7053 1 14 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.916 -0.224 18231 7054 1 14 . 1 1 79 79 ALA C C 79 175.111 175.111 179.195 -4.084 18231 7055 1 14 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.155 0.337 18231 7056 1 14 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.972 -0.509 18231 7057 1 14 . 1 1 79 79 ALA H H 79 8.918 8.918 8.249 0.669 18231 7058 1 14 . 1 1 80 80 ALA N N 80 120.223 120.223 121.033 -0.810 18231 7059 1 14 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.111 -0.046 18231 7060 1 14 . 1 1 80 80 ALA C C 80 171.473 171.473 179.288 -7.815 18231 7061 1 14 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.604 0.322 18231 7062 1 14 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.355 -0.929 18231 7063 1 14 . 1 1 80 80 ALA H H 80 7.760 7.760 7.710 0.050 18231 7064 1 14 . 1 1 81 81 LEU N N 81 119.090 119.090 119.765 -0.675 18231 7065 1 14 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.006 0.082 18231 7066 1 14 . 1 1 81 81 LEU C C 81 174.008 174.008 178.674 -4.666 18231 7067 1 14 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.834 -0.177 18231 7068 1 14 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.661 0.570 18231 7069 1 14 . 1 1 81 81 LEU H H 81 8.542 8.542 8.030 0.512 18231 7070 1 14 . 1 1 82 82 THR N N 82 119.585 119.585 114.020 5.565 18231 7071 1 14 . 1 1 82 82 THR HA H 82 4.332 4.332 4.010 0.322 18231 7072 1 14 . 1 1 82 82 THR C C 82 176.758 176.758 176.650 0.108 18231 7073 1 14 . 1 1 82 82 THR CA C 82 67.286 67.286 65.600 1.686 18231 7074 1 14 . 1 1 82 82 THR CB C 82 68.127 68.127 68.536 -0.409 18231 7075 1 14 . 1 1 82 82 THR H H 82 8.421 8.421 8.088 0.333 18231 7076 1 14 . 1 1 83 83 VAL N N 83 121.934 121.934 120.925 1.009 18231 7077 1 14 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.696 0.019 18231 7078 1 14 . 1 1 83 83 VAL C C 83 175.556 175.556 177.842 -2.286 18231 7079 1 14 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.572 0.331 18231 7080 1 14 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.153 0.393 18231 7081 1 14 . 1 1 83 83 VAL H H 83 8.077 8.077 7.406 0.671 18231 7082 1 14 . 1 1 84 84 ALA N N 84 121.367 121.367 122.222 -0.855 18231 7083 1 14 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.123 0.078 18231 7084 1 14 . 1 1 84 84 ALA C C 84 173.936 173.936 179.581 -5.645 18231 7085 1 14 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.237 0.043 18231 7086 1 14 . 1 1 84 84 ALA CB C 84 17.607 17.607 18.043 -0.436 18231 7087 1 14 . 1 1 84 84 ALA H H 84 7.835 7.835 8.292 -0.457 18231 7088 1 14 . 1 1 85 85 CYS N N 85 116.731 116.731 116.409 0.322 18231 7089 1 14 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.007 0.230 18231 7090 1 14 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.641 -7.990 18231 7091 1 14 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.405 11.565 18231 7092 1 14 . 1 1 85 85 CYS H H 85 8.244 8.244 8.071 0.173 18231 7093 1 14 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.475 -0.092 18231 7094 1 14 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.064 -1.085 18231 7095 1 14 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.326 2.165 18231 7096 1 14 . 1 1 87 87 ASN N N 87 120.372 120.372 119.357 1.015 18231 7097 1 14 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.766 -0.369 18231 7098 1 14 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.865 -0.896 18231 7099 1 14 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.138 -0.750 18231 7100 1 14 . 1 1 87 87 ASN H H 87 7.539 7.539 7.723 -0.184 18231 7101 1 14 . 1 1 88 88 PHE N N 88 118.684 118.684 122.669 -3.985 18231 7102 1 14 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.233 0.139 18231 7103 1 14 . 1 1 88 88 PHE C C 88 177.050 177.050 177.503 -0.453 18231 7104 1 14 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.489 -2.116 18231 7105 1 14 . 1 1 88 88 PHE CB C 88 39.019 39.019 39.180 -0.161 18231 7106 1 14 . 1 1 88 88 PHE H H 88 7.862 7.862 8.486 -0.624 18231 7107 1 14 . 1 1 89 89 PHE N N 89 118.515 118.515 120.247 -1.732 18231 7108 1 14 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.049 0.239 18231 7109 1 14 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.913 -2.655 18231 7110 1 14 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.937 0.295 18231 7111 1 14 . 1 1 89 89 PHE H H 89 7.898 7.898 7.876 0.022 18231 7112 1 14 . 1 1 90 90 TRP N N 90 118.964 118.964 118.073 0.891 18231 7113 1 14 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.286 0.199 18231 7114 1 14 . 1 1 90 90 TRP C C 90 174.481 174.481 178.314 -3.833 18231 7115 1 14 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.049 -1.678 18231 7116 1 14 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.553 -0.277 18231 7117 1 14 . 1 1 90 90 TRP H H 90 7.773 7.773 7.571 0.202 18231 7118 1 14 . 1 1 91 91 GLU N N 91 120.150 120.150 118.947 1.203 18231 7119 1 14 . 1 1 91 91 GLU HA H 91 4.057 4.057 3.946 0.111 18231 7120 1 14 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.705 0.272 18231 7121 1 14 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.863 0.232 18231 7122 1 14 . 1 1 91 91 GLU H H 91 7.812 7.812 7.714 0.098 18231 7123 1 14 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.088 0.580 18231 7124 1 14 . 1 1 92 92 ASN C C 92 175.577 175.577 174.323 1.254 18231 7125 1 14 . 1 1 92 92 ASN CA C 92 52.806 52.806 53.674 -0.868 18231 7126 1 14 . 1 1 92 92 ASN CB C 92 38.795 38.795 37.319 1.476 18231 7127 1 15 . 1 1 2 2 SER N N 2 118.234 118.234 117.060 1.174 18231 7128 1 15 . 1 1 2 2 SER HA H 2 4.750 4.750 4.553 0.197 18231 7129 1 15 . 1 1 2 2 SER C C 2 178.105 178.105 175.463 2.642 18231 7130 1 15 . 1 1 2 2 SER CA C 2 57.133 57.133 57.781 -0.648 18231 7131 1 15 . 1 1 2 2 SER CB C 2 64.624 64.624 64.860 -0.236 18231 7132 1 15 . 1 1 2 2 SER H H 2 9.007 9.007 8.166 0.841 18231 7133 1 15 . 1 1 3 3 GLU N N 3 123.466 123.466 120.869 2.597 18231 7134 1 15 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.093 0.046 18231 7135 1 15 . 1 1 3 3 GLU C C 3 173.854 173.854 178.764 -4.910 18231 7136 1 15 . 1 1 3 3 GLU CA C 3 60.110 60.110 59.044 1.066 18231 7137 1 15 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.438 -0.537 18231 7138 1 15 . 1 1 3 3 GLU H H 3 9.436 9.436 8.799 0.637 18231 7139 1 15 . 1 1 4 4 LEU N N 4 119.878 119.878 116.586 3.292 18231 7140 1 15 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.206 -0.120 18231 7141 1 15 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.268 0.641 18231 7142 1 15 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.168 0.237 18231 7143 1 15 . 1 1 4 4 LEU H H 4 8.891 8.891 7.717 1.174 18231 7144 1 15 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.019 -0.008 18231 7145 1 15 . 1 1 5 5 GLU C C 5 173.709 173.709 178.727 -5.018 18231 7146 1 15 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.156 0.440 18231 7147 1 15 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.206 -0.151 18231 7148 1 15 . 1 1 6 6 THR N N 6 116.614 116.614 116.579 0.035 18231 7149 1 15 . 1 1 6 6 THR HA H 6 4.019 4.019 4.002 0.017 18231 7150 1 15 . 1 1 6 6 THR C C 6 176.965 176.965 176.246 0.719 18231 7151 1 15 . 1 1 6 6 THR CA C 6 66.175 66.175 66.418 -0.243 18231 7152 1 15 . 1 1 6 6 THR CB C 6 68.280 68.280 68.631 -0.351 18231 7153 1 15 . 1 1 6 6 THR H H 6 8.316 8.316 7.530 0.786 18231 7154 1 15 . 1 1 7 7 ALA N N 7 126.118 126.118 124.799 1.319 18231 7155 1 15 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.104 0.032 18231 7156 1 15 . 1 1 7 7 ALA C C 7 173.544 173.544 179.452 -5.908 18231 7157 1 15 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.980 -0.142 18231 7158 1 15 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.277 -0.827 18231 7159 1 15 . 1 1 7 7 ALA H H 7 8.167 8.167 7.382 0.785 18231 7160 1 15 . 1 1 8 8 MET N N 8 117.610 117.610 117.071 0.539 18231 7161 1 15 . 1 1 8 8 MET HA H 8 4.174 4.174 4.046 0.128 18231 7162 1 15 . 1 1 8 8 MET C C 8 175.513 175.513 178.800 -3.287 18231 7163 1 15 . 1 1 8 8 MET CA C 8 61.988 61.988 59.545 2.442 18231 7164 1 15 . 1 1 8 8 MET CB C 8 26.277 26.277 32.535 -6.258 18231 7165 1 15 . 1 1 8 8 MET H H 8 8.286 8.286 7.570 0.716 18231 7166 1 15 . 1 1 9 9 GLU N N 9 117.751 117.751 118.239 -0.488 18231 7167 1 15 . 1 1 9 9 GLU HA H 9 3.920 3.920 3.999 -0.079 18231 7168 1 15 . 1 1 9 9 GLU C C 9 174.479 174.479 179.041 -4.562 18231 7169 1 15 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.698 -0.279 18231 7170 1 15 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.581 -0.567 18231 7171 1 15 . 1 1 9 9 GLU H H 9 8.055 8.055 7.756 0.299 18231 7172 1 15 . 1 1 10 10 THR N N 10 117.936 117.936 115.460 2.476 18231 7173 1 15 . 1 1 10 10 THR HA H 10 4.083 4.083 4.109 -0.026 18231 7174 1 15 . 1 1 10 10 THR C C 10 177.781 177.781 176.566 1.215 18231 7175 1 15 . 1 1 10 10 THR CA C 10 66.869 66.869 65.832 1.037 18231 7176 1 15 . 1 1 10 10 THR CB C 10 67.663 67.663 68.335 -0.672 18231 7177 1 15 . 1 1 10 10 THR H H 10 8.398 8.398 8.304 0.094 18231 7178 1 15 . 1 1 11 11 LEU N N 11 119.632 119.632 121.681 -2.049 18231 7179 1 15 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.286 -0.330 18231 7180 1 15 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.384 0.484 18231 7181 1 15 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.003 0.594 18231 7182 1 15 . 1 1 11 11 LEU H H 11 8.134 8.134 7.577 0.557 18231 7183 1 15 . 1 1 12 12 ILE N N 12 119.532 119.532 120.084 -0.552 18231 7184 1 15 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.276 0.692 18231 7185 1 15 . 1 1 12 12 ILE C C 12 175.378 175.378 178.030 -2.652 18231 7186 1 15 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.658 -0.286 18231 7187 1 15 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.437 1.495 18231 7188 1 15 . 1 1 12 12 ILE H H 12 7.751 7.751 7.717 0.034 18231 7189 1 15 . 1 1 13 13 ASN N N 13 121.617 121.617 118.762 2.855 18231 7190 1 15 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.555 -0.028 18231 7191 1 15 . 1 1 13 13 ASN C C 13 174.457 174.457 177.715 -3.258 18231 7192 1 15 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.328 -0.268 18231 7193 1 15 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.483 -0.826 18231 7194 1 15 . 1 1 13 13 ASN H H 13 9.012 9.012 8.400 0.612 18231 7195 1 15 . 1 1 14 14 VAL N N 14 120.538 120.538 117.915 2.623 18231 7196 1 15 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.780 0.035 18231 7197 1 15 . 1 1 14 14 VAL C C 14 176.194 176.194 177.653 -1.459 18231 7198 1 15 . 1 1 14 14 VAL CA C 14 66.080 66.080 65.733 0.347 18231 7199 1 15 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.188 0.383 18231 7200 1 15 . 1 1 14 14 VAL H H 14 8.951 8.951 8.176 0.775 18231 7201 1 15 . 1 1 15 15 PHE N N 15 117.397 117.397 122.326 -4.929 18231 7202 1 15 . 1 1 15 15 PHE HA H 15 3.469 3.469 3.911 -0.442 18231 7203 1 15 . 1 1 15 15 PHE C C 15 176.028 176.028 176.942 -0.914 18231 7204 1 15 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.615 -0.453 18231 7205 1 15 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.138 -0.203 18231 7206 1 15 . 1 1 15 15 PHE H H 15 6.953 6.953 8.354 -1.401 18231 7207 1 15 . 1 1 16 16 HIS N N 16 115.032 115.032 118.360 -3.328 18231 7208 1 15 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.171 0.665 18231 7209 1 15 . 1 1 16 16 HIS C C 16 176.028 176.028 177.691 -1.663 18231 7210 1 15 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.395 -1.378 18231 7211 1 15 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.339 -1.058 18231 7212 1 15 . 1 1 16 16 HIS H H 16 7.736 7.736 8.269 -0.533 18231 7213 1 15 . 1 1 17 17 ALA N N 17 123.252 123.252 121.673 1.579 18231 7214 1 15 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.874 0.174 18231 7215 1 15 . 1 1 17 17 ALA C C 17 174.507 174.507 179.592 -5.085 18231 7216 1 15 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.993 -1.298 18231 7217 1 15 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.969 -0.615 18231 7218 1 15 . 1 1 17 17 ALA H H 17 8.070 8.070 8.191 -0.121 18231 7219 1 15 . 1 1 18 18 HIS N N 18 113.812 113.812 117.197 -3.385 18231 7220 1 15 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.161 0.229 18231 7221 1 15 . 1 1 18 18 HIS C C 18 177.747 177.747 178.602 -0.855 18231 7222 1 15 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.185 -2.250 18231 7223 1 15 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.547 2.593 18231 7224 1 15 . 1 1 18 18 HIS H H 18 7.043 7.043 8.084 -1.041 18231 7225 1 15 . 1 1 19 19 SER N N 19 113.634 113.634 116.643 -3.009 18231 7226 1 15 . 1 1 19 19 SER HA H 19 3.673 3.673 4.254 -0.581 18231 7227 1 15 . 1 1 19 19 SER C C 19 176.511 176.511 176.946 -0.435 18231 7228 1 15 . 1 1 19 19 SER CA C 19 60.926 60.926 60.879 0.047 18231 7229 1 15 . 1 1 19 19 SER CB C 19 60.919 60.919 62.866 -1.947 18231 7230 1 15 . 1 1 19 19 SER H H 19 8.489 8.489 8.247 0.242 18231 7231 1 15 . 1 1 20 20 GLY N N 20 111.572 111.572 108.974 2.598 18231 7232 1 15 . 1 1 20 20 GLY C C 20 179.798 179.798 175.270 4.528 18231 7233 1 15 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.426 -1.334 18231 7234 1 15 . 1 1 20 20 GLY H H 20 7.734 7.734 8.309 -0.575 18231 7235 1 15 . 1 1 21 21 LYS N N 21 122.204 122.204 121.610 0.594 18231 7236 1 15 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.050 -0.126 18231 7237 1 15 . 1 1 21 21 LYS C C 21 176.162 176.162 177.130 -0.968 18231 7238 1 15 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.637 0.459 18231 7239 1 15 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.716 -0.816 18231 7240 1 15 . 1 1 21 21 LYS H H 21 7.196 7.196 7.727 -0.531 18231 7241 1 15 . 1 1 22 22 GLU N N 22 115.840 115.840 117.995 -2.155 18231 7242 1 15 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.463 0.204 18231 7243 1 15 . 1 1 22 22 GLU C C 22 176.511 176.511 175.900 0.611 18231 7244 1 15 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.387 -1.606 18231 7245 1 15 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.500 3.142 18231 7246 1 15 . 1 1 22 22 GLU H H 22 9.363 9.363 7.746 1.617 18231 7247 1 15 . 1 1 23 23 GLY N N 23 111.558 111.558 110.824 0.734 18231 7248 1 15 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.364 0.136 18231 7249 1 15 . 1 1 23 23 GLY H H 23 7.710 7.710 8.097 -0.387 18231 7250 1 15 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.407 0.001 18231 7251 1 15 . 1 1 24 24 ASP C C 24 173.495 173.495 177.000 -3.505 18231 7252 1 15 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.763 -0.046 18231 7253 1 15 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.738 2.322 18231 7254 1 15 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.870 0.417 18231 7255 1 15 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.290 -1.761 18231 7256 1 15 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.391 -1.482 18231 7257 1 15 . 1 1 26 26 TYR N N 26 119.467 119.467 114.148 5.319 18231 7258 1 15 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.499 0.212 18231 7259 1 15 . 1 1 26 26 TYR C C 26 179.682 179.682 175.998 3.684 18231 7260 1 15 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.903 -4.079 18231 7261 1 15 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.605 -0.934 18231 7262 1 15 . 1 1 26 26 TYR H H 26 9.377 9.377 8.345 1.032 18231 7263 1 15 . 1 1 27 27 LYS N N 27 114.770 114.770 118.423 -3.653 18231 7264 1 15 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.638 0.484 18231 7265 1 15 . 1 1 27 27 LYS C C 27 178.721 178.721 175.124 3.597 18231 7266 1 15 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.712 0.015 18231 7267 1 15 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.294 3.195 18231 7268 1 15 . 1 1 27 27 LYS H H 27 7.100 7.100 7.706 -0.606 18231 7269 1 15 . 1 1 28 28 LEU N N 28 125.858 125.858 126.484 -0.626 18231 7270 1 15 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.897 0.286 18231 7271 1 15 . 1 1 28 28 LEU C C 28 177.490 177.490 175.333 2.157 18231 7272 1 15 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.698 -1.365 18231 7273 1 15 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.596 -2.010 18231 7274 1 15 . 1 1 28 28 LEU H H 28 9.750 9.750 8.445 1.305 18231 7275 1 15 . 1 1 29 29 SER N N 29 120.926 120.926 119.611 1.315 18231 7276 1 15 . 1 1 29 29 SER HA H 29 4.560 4.560 4.797 -0.237 18231 7277 1 15 . 1 1 29 29 SER C C 29 178.943 178.943 175.183 3.760 18231 7278 1 15 . 1 1 29 29 SER CA C 29 55.907 55.907 56.138 -0.231 18231 7279 1 15 . 1 1 29 29 SER CB C 29 65.035 65.035 65.356 -0.321 18231 7280 1 15 . 1 1 29 29 SER H H 29 9.907 9.907 8.796 1.111 18231 7281 1 15 . 1 1 30 30 LYS N N 30 120.263 120.263 126.863 -6.600 18231 7282 1 15 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.930 -0.079 18231 7283 1 15 . 1 1 30 30 LYS C C 30 175.519 175.519 178.423 -2.904 18231 7284 1 15 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.538 0.122 18231 7285 1 15 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.435 -0.697 18231 7286 1 15 . 1 1 30 30 LYS H H 30 8.838 8.838 9.145 -0.307 18231 7287 1 15 . 1 1 31 31 LYS N N 31 118.292 118.292 117.399 0.893 18231 7288 1 15 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.021 -0.099 18231 7289 1 15 . 1 1 31 31 LYS C C 31 174.664 174.664 179.095 -4.431 18231 7290 1 15 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.411 -0.113 18231 7291 1 15 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.247 0.418 18231 7292 1 15 . 1 1 31 31 LYS H H 31 7.903 7.903 7.735 0.168 18231 7293 1 15 . 1 1 32 32 GLU N N 32 119.243 119.243 119.315 -0.072 18231 7294 1 15 . 1 1 32 32 GLU HA H 32 3.907 3.907 3.981 -0.074 18231 7295 1 15 . 1 1 32 32 GLU C C 32 174.836 174.836 178.880 -4.044 18231 7296 1 15 . 1 1 32 32 GLU CA C 32 58.316 58.316 58.781 -0.465 18231 7297 1 15 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.487 1.390 18231 7298 1 15 . 1 1 32 32 GLU H H 32 7.499 7.499 8.062 -0.563 18231 7299 1 15 . 1 1 33 33 LEU N N 33 119.432 119.432 121.587 -2.155 18231 7300 1 15 . 1 1 33 33 LEU HA H 33 3.918 3.918 3.932 -0.014 18231 7301 1 15 . 1 1 33 33 LEU C C 33 175.740 175.740 177.892 -2.152 18231 7302 1 15 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.996 -0.727 18231 7303 1 15 . 1 1 33 33 LEU CB C 33 40.981 40.981 42.027 -1.046 18231 7304 1 15 . 1 1 33 33 LEU H H 33 9.062 9.062 8.401 0.661 18231 7305 1 15 . 1 1 34 34 LYS N N 34 119.090 119.090 118.598 0.492 18231 7306 1 15 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.834 -0.180 18231 7307 1 15 . 1 1 34 34 LYS C C 34 175.916 175.916 178.535 -2.619 18231 7308 1 15 . 1 1 34 34 LYS CA C 34 60.284 60.284 59.848 0.436 18231 7309 1 15 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.118 -0.719 18231 7310 1 15 . 1 1 34 34 LYS H H 34 8.236 8.236 8.351 -0.115 18231 7311 1 15 . 1 1 35 35 GLU N N 35 117.482 117.482 119.272 -1.790 18231 7312 1 15 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.036 -0.039 18231 7313 1 15 . 1 1 35 35 GLU C C 35 174.549 174.549 178.506 -3.957 18231 7314 1 15 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.067 0.162 18231 7315 1 15 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.085 -0.253 18231 7316 1 15 . 1 1 35 35 GLU H H 35 7.734 7.734 7.591 0.143 18231 7317 1 15 . 1 1 36 36 LEU N N 36 124.601 124.601 119.901 4.700 18231 7318 1 15 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.890 -1.202 18231 7319 1 15 . 1 1 36 36 LEU C C 36 174.780 174.780 179.022 -4.242 18231 7320 1 15 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.665 1.662 18231 7321 1 15 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.229 0.406 18231 7322 1 15 . 1 1 36 36 LEU H H 36 8.308 8.308 7.782 0.526 18231 7323 1 15 . 1 1 37 37 LEU N N 37 118.901 118.901 118.618 0.283 18231 7324 1 15 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.955 -0.222 18231 7325 1 15 . 1 1 37 37 LEU C C 37 174.771 174.771 179.531 -4.760 18231 7326 1 15 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.937 -0.024 18231 7327 1 15 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.240 0.046 18231 7328 1 15 . 1 1 37 37 LEU H H 37 8.663 8.663 8.463 0.200 18231 7329 1 15 . 1 1 38 38 GLN N N 38 114.582 114.582 118.196 -3.614 18231 7330 1 15 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.042 -0.085 18231 7331 1 15 . 1 1 38 38 GLN C C 38 175.747 175.747 177.675 -1.928 18231 7332 1 15 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.812 -0.641 18231 7333 1 15 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.915 -0.286 18231 7334 1 15 . 1 1 38 38 GLN H H 38 8.507 8.507 8.160 0.347 18231 7335 1 15 . 1 1 39 39 THR N N 39 110.227 110.227 114.265 -4.038 18231 7336 1 15 . 1 1 39 39 THR HA H 39 4.252 4.252 3.877 0.375 18231 7337 1 15 . 1 1 39 39 THR C C 39 176.966 176.966 176.082 0.884 18231 7338 1 15 . 1 1 39 39 THR CA C 39 64.485 64.485 65.479 -0.994 18231 7339 1 15 . 1 1 39 39 THR CB C 39 69.254 69.254 68.747 0.507 18231 7340 1 15 . 1 1 39 39 THR H H 39 7.845 7.845 7.924 -0.079 18231 7341 1 15 . 1 1 40 40 GLU N N 40 117.400 117.400 119.049 -1.649 18231 7342 1 15 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.118 0.032 18231 7343 1 15 . 1 1 40 40 GLU C C 40 177.343 177.343 176.831 0.512 18231 7344 1 15 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.449 -1.880 18231 7345 1 15 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.057 -0.476 18231 7346 1 15 . 1 1 40 40 GLU H H 40 8.460 8.460 7.959 0.501 18231 7347 1 15 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.615 0.412 18231 7348 1 15 . 1 1 41 41 LEU C C 41 176.458 176.458 177.982 -1.524 18231 7349 1 15 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.810 -1.375 18231 7350 1 15 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.549 0.758 18231 7351 1 15 . 1 1 42 42 SER N N 42 116.528 116.528 120.647 -4.119 18231 7352 1 15 . 1 1 42 42 SER HA H 42 4.062 4.062 4.461 -0.399 18231 7353 1 15 . 1 1 42 42 SER CA C 42 61.213 61.213 61.659 -0.446 18231 7354 1 15 . 1 1 42 42 SER CB C 42 62.378 62.378 62.847 -0.469 18231 7355 1 15 . 1 1 42 42 SER H H 42 8.246 8.246 9.070 -0.824 18231 7356 1 15 . 1 1 43 43 GLY N N 43 111.367 111.367 109.077 2.290 18231 7357 1 15 . 1 1 43 43 GLY C C 43 177.750 177.750 175.819 1.931 18231 7358 1 15 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.419 -0.681 18231 7359 1 15 . 1 1 43 43 GLY H H 43 8.850 8.850 8.668 0.182 18231 7360 1 15 . 1 1 44 44 PHE N N 44 122.213 122.213 121.324 0.889 18231 7361 1 15 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.118 0.245 18231 7362 1 15 . 1 1 44 44 PHE C C 44 176.428 176.428 177.136 -0.708 18231 7363 1 15 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.665 -0.152 18231 7364 1 15 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.147 1.185 18231 7365 1 15 . 1 1 44 44 PHE H H 44 7.936 7.936 8.075 -0.139 18231 7366 1 15 . 1 1 45 45 LEU N N 45 119.395 119.395 120.588 -1.193 18231 7367 1 15 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.391 0.640 18231 7368 1 15 . 1 1 45 45 LEU C C 45 177.212 177.212 179.123 -1.911 18231 7369 1 15 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.182 0.186 18231 7370 1 15 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.506 -0.465 18231 7371 1 15 . 1 1 45 45 LEU H H 45 8.133 8.133 6.669 1.464 18231 7372 1 15 . 1 1 46 46 ASP N N 46 117.384 117.384 118.752 -1.368 18231 7373 1 15 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.301 0.081 18231 7374 1 15 . 1 1 46 46 ASP C C 46 176.684 176.684 178.200 -1.516 18231 7375 1 15 . 1 1 46 46 ASP CA C 46 55.312 55.312 56.783 -1.471 18231 7376 1 15 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.912 0.628 18231 7377 1 15 . 1 1 46 46 ASP H H 46 8.139 8.139 8.341 -0.202 18231 7378 1 15 . 1 1 47 47 ALA N N 47 121.052 121.052 122.393 -1.341 18231 7379 1 15 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.040 0.124 18231 7380 1 15 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.660 -2.115 18231 7381 1 15 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.363 -0.014 18231 7382 1 15 . 1 1 47 47 ALA H H 47 7.637 7.637 7.822 -0.185 18231 7383 1 15 . 1 1 48 48 GLN N N 48 116.271 116.271 117.503 -1.232 18231 7384 1 15 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.005 0.135 18231 7385 1 15 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.324 -3.345 18231 7386 1 15 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.383 -0.312 18231 7387 1 15 . 1 1 48 48 GLN H H 48 7.661 7.661 7.720 -0.059 18231 7388 1 15 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.079 0.050 18231 7389 1 15 . 1 1 49 49 LYS C C 49 177.345 177.345 177.141 0.204 18231 7390 1 15 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.181 -1.933 18231 7391 1 15 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.761 -0.981 18231 7392 1 15 . 1 1 50 50 ASP N N 50 118.526 118.526 117.862 0.664 18231 7393 1 15 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.772 -0.115 18231 7394 1 15 . 1 1 50 50 ASP C C 50 177.422 177.422 176.023 1.399 18231 7395 1 15 . 1 1 50 50 ASP CA C 50 53.834 53.834 53.315 0.519 18231 7396 1 15 . 1 1 50 50 ASP CB C 50 41.689 41.689 40.987 0.702 18231 7397 1 15 . 1 1 50 50 ASP H H 50 7.975 7.975 7.730 0.245 18231 7398 1 15 . 1 1 51 51 VAL N N 51 120.868 120.868 125.084 -4.216 18231 7399 1 15 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.795 0.185 18231 7400 1 15 . 1 1 51 51 VAL C C 51 177.212 177.212 176.848 0.364 18231 7401 1 15 . 1 1 51 51 VAL CA C 51 63.349 63.349 64.907 -1.558 18231 7402 1 15 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.307 -0.571 18231 7403 1 15 . 1 1 51 51 VAL H H 51 8.225 8.225 8.727 -0.502 18231 7404 1 15 . 1 1 52 52 ASP N N 52 121.054 121.054 120.320 0.734 18231 7405 1 15 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.303 0.475 18231 7406 1 15 . 1 1 52 52 ASP C C 52 176.912 176.912 178.178 -1.266 18231 7407 1 15 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.159 -3.770 18231 7408 1 15 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.851 0.221 18231 7409 1 15 . 1 1 52 52 ASP H H 52 8.403 8.403 8.083 0.320 18231 7410 1 15 . 1 1 53 53 ALA N N 53 123.449 123.449 122.177 1.272 18231 7411 1 15 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.038 -0.101 18231 7412 1 15 . 1 1 53 53 ALA C C 53 174.124 174.124 179.182 -5.058 18231 7413 1 15 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.857 0.106 18231 7414 1 15 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.422 0.452 18231 7415 1 15 . 1 1 53 53 ALA H H 53 7.757 7.757 7.832 -0.075 18231 7416 1 15 . 1 1 54 54 VAL N N 54 116.105 116.105 118.357 -2.252 18231 7417 1 15 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.530 -0.072 18231 7418 1 15 . 1 1 54 54 VAL C C 54 176.953 176.953 177.444 -0.491 18231 7419 1 15 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.973 -1.078 18231 7420 1 15 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.627 -1.047 18231 7421 1 15 . 1 1 54 54 VAL H H 54 8.281 8.281 8.066 0.215 18231 7422 1 15 . 1 1 55 55 ASP N N 55 120.466 120.466 119.701 0.765 18231 7423 1 15 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.360 -0.195 18231 7424 1 15 . 1 1 55 55 ASP C C 55 174.997 174.997 178.123 -3.126 18231 7425 1 15 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.538 -0.337 18231 7426 1 15 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.707 -0.187 18231 7427 1 15 . 1 1 55 55 ASP H H 55 7.667 7.667 8.079 -0.412 18231 7428 1 15 . 1 1 56 56 LYS N N 56 119.065 119.065 119.252 -0.187 18231 7429 1 15 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.002 -0.023 18231 7430 1 15 . 1 1 56 56 LYS C C 56 174.602 174.602 179.254 -4.652 18231 7431 1 15 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.365 -0.820 18231 7432 1 15 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.555 -0.955 18231 7433 1 15 . 1 1 56 56 LYS H H 56 7.628 7.628 7.492 0.136 18231 7434 1 15 . 1 1 57 57 VAL N N 57 119.756 119.756 119.588 0.168 18231 7435 1 15 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.662 0.065 18231 7436 1 15 . 1 1 57 57 VAL C C 57 175.782 175.782 178.337 -2.555 18231 7437 1 15 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.114 -0.515 18231 7438 1 15 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.924 -0.676 18231 7439 1 15 . 1 1 57 57 VAL H H 57 7.920 7.920 8.090 -0.170 18231 7440 1 15 . 1 1 58 58 MET N N 58 118.541 118.541 119.849 -1.308 18231 7441 1 15 . 1 1 58 58 MET HA H 58 3.936 3.936 4.068 -0.132 18231 7442 1 15 . 1 1 58 58 MET C C 58 176.330 176.330 177.325 -0.995 18231 7443 1 15 . 1 1 58 58 MET CA C 58 58.620 58.620 58.673 -0.054 18231 7444 1 15 . 1 1 58 58 MET CB C 58 32.002 32.002 32.212 -0.211 18231 7445 1 15 . 1 1 58 58 MET H H 58 8.426 8.426 8.245 0.181 18231 7446 1 15 . 1 1 59 59 LYS N N 59 116.084 116.084 118.188 -2.104 18231 7447 1 15 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.903 0.033 18231 7448 1 15 . 1 1 59 59 LYS C C 59 176.918 176.918 178.467 -1.549 18231 7449 1 15 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.748 -1.074 18231 7450 1 15 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.037 0.565 18231 7451 1 15 . 1 1 59 59 LYS H H 59 7.623 7.623 7.870 -0.247 18231 7452 1 15 . 1 1 60 60 GLU N N 60 117.227 117.227 118.139 -0.912 18231 7453 1 15 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.114 -0.059 18231 7454 1 15 . 1 1 60 60 GLU C C 60 175.146 175.146 179.107 -3.961 18231 7455 1 15 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.826 -0.795 18231 7456 1 15 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.219 0.096 18231 7457 1 15 . 1 1 60 60 GLU H H 60 7.592 7.592 7.665 -0.073 18231 7458 1 15 . 1 1 61 61 LEU N N 61 116.051 116.051 119.841 -3.790 18231 7459 1 15 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.130 0.233 18231 7460 1 15 . 1 1 61 61 LEU CA C 61 54.859 54.859 57.316 -2.458 18231 7461 1 15 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.027 1.550 18231 7462 1 15 . 1 1 61 61 LEU H H 61 8.045 8.045 7.218 0.827 18231 7463 1 15 . 1 1 62 62 ASP N N 62 116.891 116.891 115.925 0.966 18231 7464 1 15 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.920 -0.220 18231 7465 1 15 . 1 1 62 62 ASP C C 62 176.806 176.806 176.383 0.423 18231 7466 1 15 . 1 1 62 62 ASP CA C 62 53.116 53.116 52.784 0.332 18231 7467 1 15 . 1 1 62 62 ASP CB C 62 38.651 38.651 39.694 -1.043 18231 7468 1 15 . 1 1 62 62 ASP H H 62 8.008 8.008 7.987 0.021 18231 7469 1 15 . 1 1 63 63 GLU N N 63 129.185 129.185 121.717 7.468 18231 7470 1 15 . 1 1 63 63 GLU HA H 63 4.054 4.054 3.988 0.066 18231 7471 1 15 . 1 1 63 63 GLU C C 63 175.826 175.826 177.375 -1.549 18231 7472 1 15 . 1 1 63 63 GLU CA C 63 58.318 58.318 59.066 -0.748 18231 7473 1 15 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.648 0.570 18231 7474 1 15 . 1 1 63 63 GLU H H 63 8.347 8.347 8.390 -0.043 18231 7475 1 15 . 1 1 64 64 ASN N N 64 112.618 112.618 114.369 -1.751 18231 7476 1 15 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.522 0.226 18231 7477 1 15 . 1 1 64 64 ASN C C 64 176.855 176.855 176.598 0.257 18231 7478 1 15 . 1 1 64 64 ASN CA C 64 51.626 51.626 53.471 -1.845 18231 7479 1 15 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.700 -1.827 18231 7480 1 15 . 1 1 64 64 ASN H H 64 7.978 7.978 8.327 -0.349 18231 7481 1 15 . 1 1 65 65 GLY N N 65 109.111 109.111 108.872 0.239 18231 7482 1 15 . 1 1 65 65 GLY C C 65 178.426 178.426 174.617 3.809 18231 7483 1 15 . 1 1 65 65 GLY CA C 65 47.039 47.039 45.747 1.292 18231 7484 1 15 . 1 1 65 65 GLY H H 65 7.543 7.543 8.090 -0.547 18231 7485 1 15 . 1 1 66 66 ASP N N 66 119.205 119.205 118.946 0.259 18231 7486 1 15 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.442 0.099 18231 7487 1 15 . 1 1 66 66 ASP C C 66 176.015 176.015 177.617 -1.602 18231 7488 1 15 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.789 -1.950 18231 7489 1 15 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.188 -0.312 18231 7490 1 15 . 1 1 66 66 ASP H H 66 8.113 8.113 8.023 0.090 18231 7491 1 15 . 1 1 67 67 GLY N N 67 113.254 113.254 106.039 7.215 18231 7492 1 15 . 1 1 67 67 GLY C C 67 180.780 180.780 173.591 7.189 18231 7493 1 15 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.972 0.241 18231 7494 1 15 . 1 1 67 67 GLY H H 67 10.267 10.267 8.646 1.621 18231 7495 1 15 . 1 1 68 68 GLU N N 68 116.975 116.975 119.299 -2.324 18231 7496 1 15 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.717 0.093 18231 7497 1 15 . 1 1 68 68 GLU C C 68 178.130 178.130 175.252 2.878 18231 7498 1 15 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.811 -0.681 18231 7499 1 15 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.707 2.045 18231 7500 1 15 . 1 1 68 68 GLU H H 68 7.714 7.714 8.572 -0.858 18231 7501 1 15 . 1 1 69 69 VAL N N 69 125.146 125.146 123.363 1.783 18231 7502 1 15 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.634 0.615 18231 7503 1 15 . 1 1 69 69 VAL C C 69 177.413 177.413 175.300 2.113 18231 7504 1 15 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.701 -0.999 18231 7505 1 15 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.541 -0.054 18231 7506 1 15 . 1 1 69 69 VAL H H 69 9.389 9.389 8.178 1.211 18231 7507 1 15 . 1 1 70 70 ASP N N 70 129.202 129.202 126.232 2.970 18231 7508 1 15 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.038 0.131 18231 7509 1 15 . 1 1 70 70 ASP C C 70 178.332 178.332 177.070 1.262 18231 7510 1 15 . 1 1 70 70 ASP CA C 70 52.145 52.145 52.498 -0.353 18231 7511 1 15 . 1 1 70 70 ASP CB C 70 41.097 41.097 43.080 -1.983 18231 7512 1 15 . 1 1 70 70 ASP H H 70 9.109 9.109 8.809 0.300 18231 7513 1 15 . 1 1 71 71 PHE N N 71 118.298 118.298 123.604 -5.306 18231 7514 1 15 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.534 -0.607 18231 7515 1 15 . 1 1 71 71 PHE C C 71 176.763 176.763 176.688 0.075 18231 7516 1 15 . 1 1 71 71 PHE CA C 71 63.051 63.051 62.032 1.019 18231 7517 1 15 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.762 0.227 18231 7518 1 15 . 1 1 71 71 PHE H H 71 8.938 8.938 8.911 0.027 18231 7519 1 15 . 1 1 72 72 GLN N N 72 116.762 116.762 116.836 -0.074 18231 7520 1 15 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.803 -0.109 18231 7521 1 15 . 1 1 72 72 GLN C C 72 175.208 175.208 178.428 -3.220 18231 7522 1 15 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.696 -0.477 18231 7523 1 15 . 1 1 72 72 GLN CB C 72 27.806 27.806 27.974 -0.168 18231 7524 1 15 . 1 1 72 72 GLN H H 72 7.997 7.997 8.730 -0.733 18231 7525 1 15 . 1 1 73 73 GLU N N 73 120.146 120.146 119.983 0.163 18231 7526 1 15 . 1 1 73 73 GLU HA H 73 4.096 4.096 4.016 0.080 18231 7527 1 15 . 1 1 73 73 GLU C C 73 174.746 174.746 178.760 -4.014 18231 7528 1 15 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.426 -1.322 18231 7529 1 15 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.448 0.398 18231 7530 1 15 . 1 1 73 73 GLU H H 73 8.289 8.289 7.565 0.724 18231 7531 1 15 . 1 1 74 74 TYR N N 74 121.506 121.506 121.230 0.276 18231 7532 1 15 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.124 -0.011 18231 7533 1 15 . 1 1 74 74 TYR C C 74 176.925 176.925 177.572 -0.647 18231 7534 1 15 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.724 -2.623 18231 7535 1 15 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.825 -1.453 18231 7536 1 15 . 1 1 74 74 TYR H H 74 8.324 8.324 8.496 -0.172 18231 7537 1 15 . 1 1 75 75 VAL N N 75 120.725 120.725 116.411 4.314 18231 7538 1 15 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.258 -0.385 18231 7539 1 15 . 1 1 75 75 VAL C C 75 176.738 176.738 177.211 -0.473 18231 7540 1 15 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.077 -0.197 18231 7541 1 15 . 1 1 75 75 VAL CB C 75 31.000 31.000 31.066 -0.066 18231 7542 1 15 . 1 1 75 75 VAL H H 75 8.074 8.074 8.151 -0.077 18231 7543 1 15 . 1 1 76 76 VAL N N 76 120.118 120.118 120.935 -0.817 18231 7544 1 15 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.503 -0.083 18231 7545 1 15 . 1 1 76 76 VAL C C 76 174.620 174.620 177.968 -3.348 18231 7546 1 15 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.222 0.188 18231 7547 1 15 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.505 -0.729 18231 7548 1 15 . 1 1 76 76 VAL H H 76 7.119 7.119 7.263 -0.144 18231 7549 1 15 . 1 1 77 77 LEU N N 77 120.709 120.709 120.777 -0.068 18231 7550 1 15 . 1 1 77 77 LEU HA H 77 4.030 4.030 3.984 0.046 18231 7551 1 15 . 1 1 77 77 LEU C C 77 175.943 175.943 178.423 -2.480 18231 7552 1 15 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.062 -1.122 18231 7553 1 15 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.901 -0.793 18231 7554 1 15 . 1 1 77 77 LEU H H 77 6.865 6.865 7.950 -1.085 18231 7555 1 15 . 1 1 78 78 VAL N N 78 116.930 116.930 115.894 1.036 18231 7556 1 15 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.676 -0.536 18231 7557 1 15 . 1 1 78 78 VAL C C 78 174.150 174.150 177.632 -3.482 18231 7558 1 15 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.349 1.029 18231 7559 1 15 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.404 -0.175 18231 7560 1 15 . 1 1 78 78 VAL H H 78 7.539 7.539 7.991 -0.452 18231 7561 1 15 . 1 1 79 79 ALA N N 79 124.551 124.551 123.075 1.476 18231 7562 1 15 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.905 -0.213 18231 7563 1 15 . 1 1 79 79 ALA C C 79 175.111 175.111 179.173 -4.062 18231 7564 1 15 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.221 0.271 18231 7565 1 15 . 1 1 79 79 ALA CB C 79 17.463 17.463 18.010 -0.547 18231 7566 1 15 . 1 1 79 79 ALA H H 79 8.918 8.918 8.239 0.679 18231 7567 1 15 . 1 1 80 80 ALA N N 80 120.223 120.223 120.985 -0.762 18231 7568 1 15 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.127 -0.062 18231 7569 1 15 . 1 1 80 80 ALA C C 80 171.473 171.473 179.300 -7.827 18231 7570 1 15 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.536 0.390 18231 7571 1 15 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.425 -0.999 18231 7572 1 15 . 1 1 80 80 ALA H H 80 7.760 7.760 7.651 0.109 18231 7573 1 15 . 1 1 81 81 LEU N N 81 119.090 119.090 119.750 -0.660 18231 7574 1 15 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.968 0.120 18231 7575 1 15 . 1 1 81 81 LEU C C 81 174.008 174.008 178.599 -4.591 18231 7576 1 15 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.762 -0.105 18231 7577 1 15 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.606 0.625 18231 7578 1 15 . 1 1 81 81 LEU H H 81 8.542 8.542 8.055 0.487 18231 7579 1 15 . 1 1 82 82 THR N N 82 119.585 119.585 113.888 5.697 18231 7580 1 15 . 1 1 82 82 THR HA H 82 4.332 4.332 3.977 0.355 18231 7581 1 15 . 1 1 82 82 THR C C 82 176.758 176.758 176.487 0.271 18231 7582 1 15 . 1 1 82 82 THR CA C 82 67.286 67.286 65.542 1.744 18231 7583 1 15 . 1 1 82 82 THR CB C 82 68.127 68.127 68.448 -0.321 18231 7584 1 15 . 1 1 82 82 THR H H 82 8.421 8.421 8.081 0.340 18231 7585 1 15 . 1 1 83 83 VAL N N 83 121.934 121.934 120.796 1.138 18231 7586 1 15 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.723 -0.008 18231 7587 1 15 . 1 1 83 83 VAL C C 83 175.556 175.556 177.785 -2.229 18231 7588 1 15 . 1 1 83 83 VAL CA C 83 66.903 66.903 65.201 1.702 18231 7589 1 15 . 1 1 83 83 VAL CB C 83 31.546 31.546 30.933 0.613 18231 7590 1 15 . 1 1 83 83 VAL H H 83 8.077 8.077 7.313 0.764 18231 7591 1 15 . 1 1 84 84 ALA N N 84 121.367 121.367 122.554 -1.187 18231 7592 1 15 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.325 -0.124 18231 7593 1 15 . 1 1 84 84 ALA C C 84 173.936 173.936 179.416 -5.480 18231 7594 1 15 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.143 0.137 18231 7595 1 15 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.830 -0.223 18231 7596 1 15 . 1 1 84 84 ALA H H 84 7.835 7.835 8.154 -0.319 18231 7597 1 15 . 1 1 85 85 CYS N N 85 116.731 116.731 116.063 0.668 18231 7598 1 15 . 1 1 85 85 CYS HA H 85 4.237 4.237 3.736 0.501 18231 7599 1 15 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.419 -7.768 18231 7600 1 15 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.277 11.693 18231 7601 1 15 . 1 1 85 85 CYS H H 85 8.244 8.244 7.938 0.306 18231 7602 1 15 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.511 -0.128 18231 7603 1 15 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.052 -1.073 18231 7604 1 15 . 1 1 86 86 ASN CB C 86 40.491 40.491 37.828 2.663 18231 7605 1 15 . 1 1 87 87 ASN N N 87 120.372 120.372 120.134 0.238 18231 7606 1 15 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.787 -0.390 18231 7607 1 15 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.231 -1.262 18231 7608 1 15 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.738 -1.350 18231 7609 1 15 . 1 1 87 87 ASN H H 87 7.539 7.539 7.846 -0.307 18231 7610 1 15 . 1 1 88 88 PHE N N 88 118.684 118.684 119.272 -0.588 18231 7611 1 15 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.498 -0.126 18231 7612 1 15 . 1 1 88 88 PHE C C 88 177.050 177.050 177.680 -0.630 18231 7613 1 15 . 1 1 88 88 PHE CA C 88 59.373 59.373 60.209 -0.836 18231 7614 1 15 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.430 0.589 18231 7615 1 15 . 1 1 88 88 PHE H H 88 7.862 7.862 8.803 -0.941 18231 7616 1 15 . 1 1 89 89 PHE N N 89 118.515 118.515 119.824 -1.309 18231 7617 1 15 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.072 0.216 18231 7618 1 15 . 1 1 89 89 PHE CA C 89 59.258 59.258 62.099 -2.841 18231 7619 1 15 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.790 0.442 18231 7620 1 15 . 1 1 89 89 PHE H H 89 7.898 7.898 7.607 0.291 18231 7621 1 15 . 1 1 90 90 TRP N N 90 118.964 118.964 117.866 1.098 18231 7622 1 15 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.350 0.135 18231 7623 1 15 . 1 1 90 90 TRP C C 90 174.481 174.481 177.952 -3.471 18231 7624 1 15 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.381 -2.010 18231 7625 1 15 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.415 -0.139 18231 7626 1 15 . 1 1 90 90 TRP H H 90 7.773 7.773 7.630 0.143 18231 7627 1 15 . 1 1 91 91 GLU N N 91 120.150 120.150 117.782 2.368 18231 7628 1 15 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.077 -0.020 18231 7629 1 15 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.791 0.186 18231 7630 1 15 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.926 0.168 18231 7631 1 15 . 1 1 91 91 GLU H H 91 7.812 7.812 7.587 0.225 18231 7632 1 15 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.193 0.475 18231 7633 1 15 . 1 1 92 92 ASN C C 92 175.577 175.577 173.833 1.744 18231 7634 1 15 . 1 1 92 92 ASN CA C 92 52.806 52.806 54.251 -1.444 18231 7635 1 15 . 1 1 92 92 ASN CB C 92 38.795 38.795 36.933 1.862 18231 7636 1 16 . 1 1 2 2 SER N N 2 118.234 118.234 117.186 1.048 18231 7637 1 16 . 1 1 2 2 SER HA H 2 4.750 4.750 4.487 0.263 18231 7638 1 16 . 1 1 2 2 SER C C 2 178.105 178.105 175.612 2.493 18231 7639 1 16 . 1 1 2 2 SER CA C 2 57.133 57.133 58.114 -0.981 18231 7640 1 16 . 1 1 2 2 SER CB C 2 64.624 64.624 64.239 0.385 18231 7641 1 16 . 1 1 2 2 SER H H 2 9.007 9.007 8.203 0.804 18231 7642 1 16 . 1 1 3 3 GLU N N 3 123.466 123.466 122.134 1.332 18231 7643 1 16 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.047 0.092 18231 7644 1 16 . 1 1 3 3 GLU C C 3 173.854 173.854 178.783 -4.929 18231 7645 1 16 . 1 1 3 3 GLU CA C 3 60.110 60.110 59.172 0.938 18231 7646 1 16 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.602 -0.702 18231 7647 1 16 . 1 1 3 3 GLU H H 3 9.436 9.436 8.797 0.639 18231 7648 1 16 . 1 1 4 4 LEU N N 4 119.878 119.878 118.419 1.459 18231 7649 1 16 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.001 0.085 18231 7650 1 16 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.451 0.458 18231 7651 1 16 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.265 0.140 18231 7652 1 16 . 1 1 4 4 LEU H H 4 8.891 8.891 8.196 0.695 18231 7653 1 16 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.048 -0.037 18231 7654 1 16 . 1 1 5 5 GLU C C 5 173.709 173.709 178.832 -5.123 18231 7655 1 16 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.568 0.028 18231 7656 1 16 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.246 -0.191 18231 7657 1 16 . 1 1 6 6 THR N N 6 116.614 116.614 116.114 0.500 18231 7658 1 16 . 1 1 6 6 THR HA H 6 4.019 4.019 4.036 -0.017 18231 7659 1 16 . 1 1 6 6 THR C C 6 176.965 176.965 176.170 0.795 18231 7660 1 16 . 1 1 6 6 THR CA C 6 66.175 66.175 66.375 -0.200 18231 7661 1 16 . 1 1 6 6 THR CB C 6 68.280 68.280 68.626 -0.346 18231 7662 1 16 . 1 1 6 6 THR H H 6 8.316 8.316 7.514 0.802 18231 7663 1 16 . 1 1 7 7 ALA N N 7 126.118 126.118 124.662 1.456 18231 7664 1 16 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.065 0.071 18231 7665 1 16 . 1 1 7 7 ALA C C 7 173.544 173.544 179.644 -6.100 18231 7666 1 16 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.975 -0.137 18231 7667 1 16 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.274 -0.824 18231 7668 1 16 . 1 1 7 7 ALA H H 7 8.167 8.167 7.502 0.665 18231 7669 1 16 . 1 1 8 8 MET N N 8 117.610 117.610 117.397 0.213 18231 7670 1 16 . 1 1 8 8 MET HA H 8 4.174 4.174 4.013 0.161 18231 7671 1 16 . 1 1 8 8 MET C C 8 175.513 175.513 178.693 -3.180 18231 7672 1 16 . 1 1 8 8 MET CA C 8 61.988 61.988 59.688 2.300 18231 7673 1 16 . 1 1 8 8 MET CB C 8 26.277 26.277 32.464 -6.187 18231 7674 1 16 . 1 1 8 8 MET H H 8 8.286 8.286 7.723 0.563 18231 7675 1 16 . 1 1 9 9 GLU N N 9 117.751 117.751 119.111 -1.360 18231 7676 1 16 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.033 -0.113 18231 7677 1 16 . 1 1 9 9 GLU C C 9 174.479 174.479 178.938 -4.459 18231 7678 1 16 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.467 -0.048 18231 7679 1 16 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.579 -0.565 18231 7680 1 16 . 1 1 9 9 GLU H H 9 8.055 8.055 7.994 0.061 18231 7681 1 16 . 1 1 10 10 THR N N 10 117.936 117.936 115.161 2.775 18231 7682 1 16 . 1 1 10 10 THR HA H 10 4.083 4.083 4.044 0.039 18231 7683 1 16 . 1 1 10 10 THR C C 10 177.781 177.781 176.664 1.117 18231 7684 1 16 . 1 1 10 10 THR CA C 10 66.869 66.869 66.388 0.481 18231 7685 1 16 . 1 1 10 10 THR CB C 10 67.663 67.663 68.665 -1.002 18231 7686 1 16 . 1 1 10 10 THR H H 10 8.398 8.398 8.277 0.121 18231 7687 1 16 . 1 1 11 11 LEU N N 11 119.632 119.632 122.237 -2.605 18231 7688 1 16 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.324 -0.368 18231 7689 1 16 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.563 0.305 18231 7690 1 16 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.328 0.269 18231 7691 1 16 . 1 1 11 11 LEU H H 11 8.134 8.134 7.537 0.597 18231 7692 1 16 . 1 1 12 12 ILE N N 12 119.532 119.532 119.891 -0.359 18231 7693 1 16 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.263 0.705 18231 7694 1 16 . 1 1 12 12 ILE C C 12 175.378 175.378 178.048 -2.670 18231 7695 1 16 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.626 -0.254 18231 7696 1 16 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.307 1.625 18231 7697 1 16 . 1 1 12 12 ILE H H 12 7.751 7.751 7.637 0.114 18231 7698 1 16 . 1 1 13 13 ASN N N 13 121.617 121.617 118.570 3.047 18231 7699 1 16 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.455 0.072 18231 7700 1 16 . 1 1 13 13 ASN C C 13 174.457 174.457 177.703 -3.246 18231 7701 1 16 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.328 -0.268 18231 7702 1 16 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.286 -0.629 18231 7703 1 16 . 1 1 13 13 ASN H H 13 9.012 9.012 8.480 0.532 18231 7704 1 16 . 1 1 14 14 VAL N N 14 120.538 120.538 119.726 0.812 18231 7705 1 16 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.403 0.412 18231 7706 1 16 . 1 1 14 14 VAL C C 14 176.194 176.194 177.756 -1.562 18231 7707 1 16 . 1 1 14 14 VAL CA C 14 66.080 66.080 65.773 0.307 18231 7708 1 16 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.215 0.356 18231 7709 1 16 . 1 1 14 14 VAL H H 14 8.951 8.951 8.168 0.783 18231 7710 1 16 . 1 1 15 15 PHE N N 15 117.397 117.397 121.865 -4.468 18231 7711 1 16 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.082 -0.613 18231 7712 1 16 . 1 1 15 15 PHE C C 15 176.028 176.028 177.486 -1.458 18231 7713 1 16 . 1 1 15 15 PHE CA C 15 62.163 62.163 61.879 0.284 18231 7714 1 16 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.094 -0.159 18231 7715 1 16 . 1 1 15 15 PHE H H 15 6.953 6.953 8.635 -1.682 18231 7716 1 16 . 1 1 16 16 HIS N N 16 115.032 115.032 119.673 -4.641 18231 7717 1 16 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.035 0.801 18231 7718 1 16 . 1 1 16 16 HIS C C 16 176.028 176.028 177.301 -1.273 18231 7719 1 16 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.664 -1.647 18231 7720 1 16 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.788 -1.507 18231 7721 1 16 . 1 1 16 16 HIS H H 16 7.736 7.736 8.721 -0.985 18231 7722 1 16 . 1 1 17 17 ALA N N 17 123.252 123.252 121.028 2.224 18231 7723 1 16 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.864 0.184 18231 7724 1 16 . 1 1 17 17 ALA C C 17 174.507 174.507 179.711 -5.204 18231 7725 1 16 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.996 -1.301 18231 7726 1 16 . 1 1 17 17 ALA CB C 17 17.354 17.354 18.091 -0.737 18231 7727 1 16 . 1 1 17 17 ALA H H 17 8.070 8.070 8.144 -0.074 18231 7728 1 16 . 1 1 18 18 HIS N N 18 113.812 113.812 117.588 -3.776 18231 7729 1 16 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.158 0.232 18231 7730 1 16 . 1 1 18 18 HIS C C 18 177.747 177.747 178.563 -0.816 18231 7731 1 16 . 1 1 18 18 HIS CA C 18 56.935 56.935 58.178 -1.243 18231 7732 1 16 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.736 2.404 18231 7733 1 16 . 1 1 18 18 HIS H H 18 7.043 7.043 8.275 -1.232 18231 7734 1 16 . 1 1 19 19 SER N N 19 113.634 113.634 116.141 -2.507 18231 7735 1 16 . 1 1 19 19 SER HA H 19 3.673 3.673 3.997 -0.324 18231 7736 1 16 . 1 1 19 19 SER C C 19 176.511 176.511 176.668 -0.157 18231 7737 1 16 . 1 1 19 19 SER CA C 19 60.926 60.926 61.117 -0.191 18231 7738 1 16 . 1 1 19 19 SER CB C 19 60.919 60.919 61.969 -1.050 18231 7739 1 16 . 1 1 19 19 SER H H 19 8.489 8.489 8.114 0.375 18231 7740 1 16 . 1 1 20 20 GLY N N 20 111.572 111.572 109.056 2.516 18231 7741 1 16 . 1 1 20 20 GLY C C 20 179.798 179.798 175.453 4.345 18231 7742 1 16 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.438 -1.345 18231 7743 1 16 . 1 1 20 20 GLY H H 20 7.734 7.734 8.122 -0.388 18231 7744 1 16 . 1 1 21 21 LYS N N 21 122.204 122.204 121.460 0.744 18231 7745 1 16 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.036 -0.112 18231 7746 1 16 . 1 1 21 21 LYS C C 21 176.162 176.162 177.016 -0.854 18231 7747 1 16 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.514 0.582 18231 7748 1 16 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.694 -0.794 18231 7749 1 16 . 1 1 21 21 LYS H H 21 7.196 7.196 7.658 -0.462 18231 7750 1 16 . 1 1 22 22 GLU N N 22 115.840 115.840 118.033 -2.193 18231 7751 1 16 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.441 0.226 18231 7752 1 16 . 1 1 22 22 GLU C C 22 176.511 176.511 175.808 0.703 18231 7753 1 16 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.322 -1.541 18231 7754 1 16 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.539 3.102 18231 7755 1 16 . 1 1 22 22 GLU H H 22 9.363 9.363 7.421 1.942 18231 7756 1 16 . 1 1 23 23 GLY N N 23 111.558 111.558 110.751 0.807 18231 7757 1 16 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.450 0.050 18231 7758 1 16 . 1 1 23 23 GLY H H 23 7.710 7.710 8.046 -0.336 18231 7759 1 16 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.402 0.006 18231 7760 1 16 . 1 1 24 24 ASP C C 24 173.495 173.495 177.091 -3.596 18231 7761 1 16 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.876 -0.159 18231 7762 1 16 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.574 2.486 18231 7763 1 16 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.840 0.447 18231 7764 1 16 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.309 -1.780 18231 7765 1 16 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.445 -1.536 18231 7766 1 16 . 1 1 26 26 TYR N N 26 119.467 119.467 114.992 4.475 18231 7767 1 16 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.666 0.045 18231 7768 1 16 . 1 1 26 26 TYR C C 26 179.682 179.682 175.968 3.714 18231 7769 1 16 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.652 -3.828 18231 7770 1 16 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.520 -0.848 18231 7771 1 16 . 1 1 26 26 TYR H H 26 9.377 9.377 8.359 1.018 18231 7772 1 16 . 1 1 27 27 LYS N N 27 114.770 114.770 118.363 -3.593 18231 7773 1 16 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.669 0.453 18231 7774 1 16 . 1 1 27 27 LYS C C 27 178.721 178.721 175.436 3.285 18231 7775 1 16 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.868 -0.141 18231 7776 1 16 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.716 2.773 18231 7777 1 16 . 1 1 27 27 LYS H H 27 7.100 7.100 7.576 -0.476 18231 7778 1 16 . 1 1 28 28 LEU N N 28 125.858 125.858 124.843 1.015 18231 7779 1 16 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.949 0.234 18231 7780 1 16 . 1 1 28 28 LEU C C 28 177.490 177.490 176.450 1.040 18231 7781 1 16 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.552 -1.219 18231 7782 1 16 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.369 -1.783 18231 7783 1 16 . 1 1 28 28 LEU H H 28 9.750 9.750 8.352 1.398 18231 7784 1 16 . 1 1 29 29 SER N N 29 120.926 120.926 116.602 4.324 18231 7785 1 16 . 1 1 29 29 SER HA H 29 4.560 4.560 4.696 -0.136 18231 7786 1 16 . 1 1 29 29 SER C C 29 178.943 178.943 175.276 3.667 18231 7787 1 16 . 1 1 29 29 SER CA C 29 55.907 55.907 55.662 0.245 18231 7788 1 16 . 1 1 29 29 SER CB C 29 65.035 65.035 65.051 -0.016 18231 7789 1 16 . 1 1 29 29 SER H H 29 9.907 9.907 8.213 1.694 18231 7790 1 16 . 1 1 30 30 LYS N N 30 120.263 120.263 126.984 -6.721 18231 7791 1 16 . 1 1 30 30 LYS HA H 30 3.851 3.851 4.010 -0.159 18231 7792 1 16 . 1 1 30 30 LYS C C 30 175.519 175.519 178.355 -2.836 18231 7793 1 16 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.151 0.509 18231 7794 1 16 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.386 -0.648 18231 7795 1 16 . 1 1 30 30 LYS H H 30 8.838 8.838 8.977 -0.139 18231 7796 1 16 . 1 1 31 31 LYS N N 31 118.292 118.292 117.891 0.401 18231 7797 1 16 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.004 -0.082 18231 7798 1 16 . 1 1 31 31 LYS C C 31 174.664 174.664 179.010 -4.346 18231 7799 1 16 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.556 -0.258 18231 7800 1 16 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.192 0.473 18231 7801 1 16 . 1 1 31 31 LYS H H 31 7.903 7.903 7.995 -0.092 18231 7802 1 16 . 1 1 32 32 GLU N N 32 119.243 119.243 119.251 -0.008 18231 7803 1 16 . 1 1 32 32 GLU HA H 32 3.907 3.907 3.978 -0.071 18231 7804 1 16 . 1 1 32 32 GLU C C 32 174.836 174.836 178.966 -4.130 18231 7805 1 16 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.158 -0.842 18231 7806 1 16 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.603 1.274 18231 7807 1 16 . 1 1 32 32 GLU H H 32 7.499 7.499 7.460 0.039 18231 7808 1 16 . 1 1 33 33 LEU N N 33 119.432 119.432 119.469 -0.037 18231 7809 1 16 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.154 -0.236 18231 7810 1 16 . 1 1 33 33 LEU C C 33 175.740 175.740 177.945 -2.205 18231 7811 1 16 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.138 0.131 18231 7812 1 16 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.020 -0.039 18231 7813 1 16 . 1 1 33 33 LEU H H 33 9.062 9.062 8.360 0.702 18231 7814 1 16 . 1 1 34 34 LYS N N 34 119.090 119.090 120.751 -1.661 18231 7815 1 16 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.829 -0.175 18231 7816 1 16 . 1 1 34 34 LYS C C 34 175.916 175.916 178.261 -2.345 18231 7817 1 16 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.307 -0.023 18231 7818 1 16 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.038 -0.638 18231 7819 1 16 . 1 1 34 34 LYS H H 34 8.236 8.236 8.478 -0.242 18231 7820 1 16 . 1 1 35 35 GLU N N 35 117.482 117.482 119.316 -1.834 18231 7821 1 16 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.990 0.007 18231 7822 1 16 . 1 1 35 35 GLU C C 35 174.549 174.549 178.634 -4.085 18231 7823 1 16 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.447 -0.218 18231 7824 1 16 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.310 -0.477 18231 7825 1 16 . 1 1 35 35 GLU H H 35 7.734 7.734 7.673 0.061 18231 7826 1 16 . 1 1 36 36 LEU N N 36 124.601 124.601 119.225 5.376 18231 7827 1 16 . 1 1 36 36 LEU HA H 36 2.688 2.688 4.061 -1.373 18231 7828 1 16 . 1 1 36 36 LEU C C 36 174.780 174.780 179.248 -4.468 18231 7829 1 16 . 1 1 36 36 LEU CA C 36 59.327 59.327 58.029 1.298 18231 7830 1 16 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.193 0.442 18231 7831 1 16 . 1 1 36 36 LEU H H 36 8.308 8.308 7.295 1.012 18231 7832 1 16 . 1 1 37 37 LEU N N 37 118.901 118.901 118.902 -0.001 18231 7833 1 16 . 1 1 37 37 LEU HA H 37 3.733 3.733 4.041 -0.308 18231 7834 1 16 . 1 1 37 37 LEU C C 37 174.771 174.771 179.805 -5.034 18231 7835 1 16 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.832 0.081 18231 7836 1 16 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.452 -0.166 18231 7837 1 16 . 1 1 37 37 LEU H H 37 8.663 8.663 8.409 0.254 18231 7838 1 16 . 1 1 38 38 GLN N N 38 114.582 114.582 119.336 -4.754 18231 7839 1 16 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.034 -0.077 18231 7840 1 16 . 1 1 38 38 GLN C C 38 175.747 175.747 177.747 -2.000 18231 7841 1 16 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.986 -0.815 18231 7842 1 16 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.989 -0.360 18231 7843 1 16 . 1 1 38 38 GLN H H 38 8.507 8.507 8.391 0.116 18231 7844 1 16 . 1 1 39 39 THR N N 39 110.227 110.227 113.620 -3.393 18231 7845 1 16 . 1 1 39 39 THR HA H 39 4.252 4.252 3.816 0.436 18231 7846 1 16 . 1 1 39 39 THR C C 39 176.966 176.966 175.828 1.138 18231 7847 1 16 . 1 1 39 39 THR CA C 39 64.485 64.485 65.651 -1.166 18231 7848 1 16 . 1 1 39 39 THR CB C 39 69.254 69.254 68.949 0.305 18231 7849 1 16 . 1 1 39 39 THR H H 39 7.845 7.845 8.013 -0.168 18231 7850 1 16 . 1 1 40 40 GLU N N 40 117.400 117.400 120.335 -2.935 18231 7851 1 16 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.196 -0.046 18231 7852 1 16 . 1 1 40 40 GLU C C 40 177.343 177.343 176.621 0.722 18231 7853 1 16 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.086 -1.517 18231 7854 1 16 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.396 -0.815 18231 7855 1 16 . 1 1 40 40 GLU H H 40 8.460 8.460 7.992 0.468 18231 7856 1 16 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.641 0.386 18231 7857 1 16 . 1 1 41 41 LEU C C 41 176.458 176.458 177.235 -0.777 18231 7858 1 16 . 1 1 41 41 LEU CA C 41 52.435 52.435 54.105 -1.670 18231 7859 1 16 . 1 1 41 41 LEU CB C 41 43.307 43.307 43.093 0.214 18231 7860 1 16 . 1 1 42 42 SER N N 42 116.528 116.528 123.102 -6.574 18231 7861 1 16 . 1 1 42 42 SER HA H 42 4.062 4.062 4.415 -0.353 18231 7862 1 16 . 1 1 42 42 SER CA C 42 61.213 61.213 62.459 -1.246 18231 7863 1 16 . 1 1 42 42 SER CB C 42 62.378 62.378 62.806 -0.428 18231 7864 1 16 . 1 1 42 42 SER H H 42 8.246 8.246 9.106 -0.860 18231 7865 1 16 . 1 1 43 43 GLY N N 43 111.367 111.367 109.068 2.299 18231 7866 1 16 . 1 1 43 43 GLY C C 43 177.750 177.750 175.719 2.031 18231 7867 1 16 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.350 -0.612 18231 7868 1 16 . 1 1 43 43 GLY H H 43 8.850 8.850 8.621 0.229 18231 7869 1 16 . 1 1 44 44 PHE N N 44 122.213 122.213 121.215 0.998 18231 7870 1 16 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.112 0.251 18231 7871 1 16 . 1 1 44 44 PHE C C 44 176.428 176.428 176.468 -0.040 18231 7872 1 16 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.573 -0.060 18231 7873 1 16 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.360 0.972 18231 7874 1 16 . 1 1 44 44 PHE H H 44 7.936 7.936 7.959 -0.023 18231 7875 1 16 . 1 1 45 45 LEU N N 45 119.395 119.395 119.369 0.026 18231 7876 1 16 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.370 0.661 18231 7877 1 16 . 1 1 45 45 LEU C C 45 177.212 177.212 179.534 -2.322 18231 7878 1 16 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.444 -0.076 18231 7879 1 16 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.016 0.025 18231 7880 1 16 . 1 1 45 45 LEU H H 45 8.133 8.133 6.780 1.353 18231 7881 1 16 . 1 1 46 46 ASP N N 46 117.384 117.384 119.212 -1.828 18231 7882 1 16 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.336 0.046 18231 7883 1 16 . 1 1 46 46 ASP C C 46 176.684 176.684 178.112 -1.428 18231 7884 1 16 . 1 1 46 46 ASP CA C 46 55.312 55.312 57.111 -1.799 18231 7885 1 16 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.980 0.561 18231 7886 1 16 . 1 1 46 46 ASP H H 46 8.139 8.139 8.407 -0.268 18231 7887 1 16 . 1 1 47 47 ALA N N 47 121.052 121.052 121.185 -0.133 18231 7888 1 16 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.116 0.048 18231 7889 1 16 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.413 -1.868 18231 7890 1 16 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.527 -0.178 18231 7891 1 16 . 1 1 47 47 ALA H H 47 7.637 7.637 7.655 -0.018 18231 7892 1 16 . 1 1 48 48 GLN N N 48 116.271 116.271 116.760 -0.489 18231 7893 1 16 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.043 0.097 18231 7894 1 16 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.157 -3.178 18231 7895 1 16 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.550 -0.479 18231 7896 1 16 . 1 1 48 48 GLN H H 48 7.661 7.661 7.662 -0.001 18231 7897 1 16 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.092 0.037 18231 7898 1 16 . 1 1 49 49 LYS C C 49 177.345 177.345 177.143 0.202 18231 7899 1 16 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.100 -1.853 18231 7900 1 16 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.813 -1.033 18231 7901 1 16 . 1 1 50 50 ASP N N 50 118.526 118.526 118.759 -0.233 18231 7902 1 16 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.916 -0.259 18231 7903 1 16 . 1 1 50 50 ASP C C 50 177.422 177.422 176.367 1.055 18231 7904 1 16 . 1 1 50 50 ASP CA C 50 53.834 53.834 53.251 0.584 18231 7905 1 16 . 1 1 50 50 ASP CB C 50 41.689 41.689 41.418 0.271 18231 7906 1 16 . 1 1 50 50 ASP H H 50 7.975 7.975 7.638 0.337 18231 7907 1 16 . 1 1 51 51 VAL N N 51 120.868 120.868 119.886 0.982 18231 7908 1 16 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.891 0.089 18231 7909 1 16 . 1 1 51 51 VAL C C 51 177.212 177.212 176.829 0.383 18231 7910 1 16 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.253 -1.904 18231 7911 1 16 . 1 1 51 51 VAL CB C 51 31.736 31.736 31.545 0.191 18231 7912 1 16 . 1 1 51 51 VAL H H 51 8.225 8.225 8.490 -0.265 18231 7913 1 16 . 1 1 52 52 ASP N N 52 121.054 121.054 122.203 -1.149 18231 7914 1 16 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.298 0.480 18231 7915 1 16 . 1 1 52 52 ASP C C 52 176.912 176.912 177.812 -0.900 18231 7916 1 16 . 1 1 52 52 ASP CA C 52 53.389 53.389 56.833 -3.444 18231 7917 1 16 . 1 1 52 52 ASP CB C 52 40.072 40.072 40.095 -0.023 18231 7918 1 16 . 1 1 52 52 ASP H H 52 8.403 8.403 8.352 0.051 18231 7919 1 16 . 1 1 53 53 ALA N N 53 123.449 123.449 122.224 1.225 18231 7920 1 16 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.088 -0.151 18231 7921 1 16 . 1 1 53 53 ALA C C 53 174.124 174.124 179.612 -5.488 18231 7922 1 16 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.919 0.044 18231 7923 1 16 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.249 0.624 18231 7924 1 16 . 1 1 53 53 ALA H H 53 7.757 7.757 7.902 -0.145 18231 7925 1 16 . 1 1 54 54 VAL N N 54 116.105 116.105 114.711 1.394 18231 7926 1 16 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.719 -0.261 18231 7927 1 16 . 1 1 54 54 VAL C C 54 176.953 176.953 177.071 -0.118 18231 7928 1 16 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.114 -0.219 18231 7929 1 16 . 1 1 54 54 VAL CB C 54 30.580 30.580 30.893 -0.313 18231 7930 1 16 . 1 1 54 54 VAL H H 54 8.281 8.281 8.056 0.225 18231 7931 1 16 . 1 1 55 55 ASP N N 55 120.466 120.466 120.899 -0.433 18231 7932 1 16 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.410 -0.245 18231 7933 1 16 . 1 1 55 55 ASP C C 55 174.997 174.997 178.448 -3.451 18231 7934 1 16 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.535 -0.335 18231 7935 1 16 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.212 0.308 18231 7936 1 16 . 1 1 55 55 ASP H H 55 7.667 7.667 8.205 -0.538 18231 7937 1 16 . 1 1 56 56 LYS N N 56 119.065 119.065 119.508 -0.443 18231 7938 1 16 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.154 -0.175 18231 7939 1 16 . 1 1 56 56 LYS C C 56 174.602 174.602 178.999 -4.397 18231 7940 1 16 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.046 -0.501 18231 7941 1 16 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.402 -0.802 18231 7942 1 16 . 1 1 56 56 LYS H H 56 7.628 7.628 7.366 0.262 18231 7943 1 16 . 1 1 57 57 VAL N N 57 119.756 119.756 120.761 -1.005 18231 7944 1 16 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.708 0.019 18231 7945 1 16 . 1 1 57 57 VAL C C 57 175.782 175.782 178.240 -2.458 18231 7946 1 16 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.454 -0.855 18231 7947 1 16 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.459 -0.212 18231 7948 1 16 . 1 1 57 57 VAL H H 57 7.920 7.920 8.142 -0.222 18231 7949 1 16 . 1 1 58 58 MET N N 58 118.541 118.541 119.171 -0.630 18231 7950 1 16 . 1 1 58 58 MET HA H 58 3.936 3.936 4.085 -0.149 18231 7951 1 16 . 1 1 58 58 MET C C 58 176.330 176.330 177.366 -1.036 18231 7952 1 16 . 1 1 58 58 MET CA C 58 58.620 58.620 58.983 -0.363 18231 7953 1 16 . 1 1 58 58 MET CB C 58 32.002 32.002 32.204 -0.202 18231 7954 1 16 . 1 1 58 58 MET H H 58 8.426 8.426 8.496 -0.070 18231 7955 1 16 . 1 1 59 59 LYS N N 59 116.084 116.084 119.062 -2.978 18231 7956 1 16 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.976 -0.040 18231 7957 1 16 . 1 1 59 59 LYS C C 59 176.918 176.918 177.936 -1.018 18231 7958 1 16 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.178 -0.504 18231 7959 1 16 . 1 1 59 59 LYS CB C 59 32.602 32.602 31.916 0.686 18231 7960 1 16 . 1 1 59 59 LYS H H 59 7.623 7.623 7.624 -0.001 18231 7961 1 16 . 1 1 60 60 GLU N N 60 117.227 117.227 117.004 0.223 18231 7962 1 16 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.069 -0.014 18231 7963 1 16 . 1 1 60 60 GLU C C 60 175.146 175.146 178.136 -2.990 18231 7964 1 16 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.496 -0.465 18231 7965 1 16 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.714 -0.399 18231 7966 1 16 . 1 1 60 60 GLU H H 60 7.592 7.592 7.625 -0.033 18231 7967 1 16 . 1 1 61 61 LEU N N 61 116.051 116.051 117.834 -1.783 18231 7968 1 16 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.160 0.203 18231 7969 1 16 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.683 -1.824 18231 7970 1 16 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.105 1.472 18231 7971 1 16 . 1 1 61 61 LEU H H 61 8.045 8.045 7.186 0.859 18231 7972 1 16 . 1 1 62 62 ASP N N 62 116.891 116.891 117.580 -0.689 18231 7973 1 16 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.840 -0.140 18231 7974 1 16 . 1 1 62 62 ASP C C 62 176.806 176.806 177.466 -0.660 18231 7975 1 16 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.658 -0.542 18231 7976 1 16 . 1 1 62 62 ASP CB C 62 38.651 38.651 39.871 -1.220 18231 7977 1 16 . 1 1 62 62 ASP H H 62 8.008 8.008 7.996 0.012 18231 7978 1 16 . 1 1 63 63 GLU N N 63 129.185 129.185 127.788 1.397 18231 7979 1 16 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.096 -0.042 18231 7980 1 16 . 1 1 63 63 GLU C C 63 175.826 175.826 177.372 -1.546 18231 7981 1 16 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.859 -0.541 18231 7982 1 16 . 1 1 63 63 GLU CB C 63 30.218 30.218 30.014 0.204 18231 7983 1 16 . 1 1 63 63 GLU H H 63 8.347 8.347 8.585 -0.238 18231 7984 1 16 . 1 1 64 64 ASN N N 64 112.618 112.618 114.836 -2.218 18231 7985 1 16 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.708 0.040 18231 7986 1 16 . 1 1 64 64 ASN C C 64 176.855 176.855 176.010 0.845 18231 7987 1 16 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.461 -0.835 18231 7988 1 16 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.306 -1.433 18231 7989 1 16 . 1 1 64 64 ASN H H 64 7.978 7.978 7.843 0.135 18231 7990 1 16 . 1 1 65 65 GLY N N 65 109.111 109.111 108.538 0.573 18231 7991 1 16 . 1 1 65 65 GLY C C 65 178.426 178.426 175.050 3.376 18231 7992 1 16 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.147 0.892 18231 7993 1 16 . 1 1 65 65 GLY H H 65 7.543 7.543 7.793 -0.250 18231 7994 1 16 . 1 1 66 66 ASP N N 66 119.205 119.205 119.976 -0.771 18231 7995 1 16 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.401 0.140 18231 7996 1 16 . 1 1 66 66 ASP C C 66 176.015 176.015 177.880 -1.865 18231 7997 1 16 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.531 -1.692 18231 7998 1 16 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.985 -1.109 18231 7999 1 16 . 1 1 66 66 ASP H H 66 8.113 8.113 8.623 -0.510 18231 8000 1 16 . 1 1 67 67 GLY N N 67 113.254 113.254 108.180 5.074 18231 8001 1 16 . 1 1 67 67 GLY C C 67 180.780 180.780 173.583 7.197 18231 8002 1 16 . 1 1 67 67 GLY CA C 67 45.213 45.213 45.004 0.209 18231 8003 1 16 . 1 1 67 67 GLY H H 67 10.267 10.267 9.105 1.162 18231 8004 1 16 . 1 1 68 68 GLU N N 68 116.975 116.975 118.480 -1.505 18231 8005 1 16 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.698 0.112 18231 8006 1 16 . 1 1 68 68 GLU C C 68 178.130 178.130 174.654 3.476 18231 8007 1 16 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.402 -0.272 18231 8008 1 16 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.889 1.863 18231 8009 1 16 . 1 1 68 68 GLU H H 68 7.714 7.714 8.784 -1.070 18231 8010 1 16 . 1 1 69 69 VAL N N 69 125.146 125.146 120.621 4.525 18231 8011 1 16 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.812 0.437 18231 8012 1 16 . 1 1 69 69 VAL C C 69 177.413 177.413 174.776 2.637 18231 8013 1 16 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.128 -0.426 18231 8014 1 16 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.663 -0.176 18231 8015 1 16 . 1 1 69 69 VAL H H 69 9.389 9.389 8.266 1.123 18231 8016 1 16 . 1 1 70 70 ASP N N 70 129.202 129.202 123.978 5.224 18231 8017 1 16 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.115 0.054 18231 8018 1 16 . 1 1 70 70 ASP C C 70 178.332 178.332 176.778 1.554 18231 8019 1 16 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.717 0.428 18231 8020 1 16 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.444 -3.347 18231 8021 1 16 . 1 1 70 70 ASP H H 70 9.109 9.109 8.717 0.392 18231 8022 1 16 . 1 1 71 71 PHE N N 71 118.298 118.298 123.620 -5.322 18231 8023 1 16 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.908 -0.981 18231 8024 1 16 . 1 1 71 71 PHE C C 71 176.763 176.763 176.635 0.128 18231 8025 1 16 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.454 1.597 18231 8026 1 16 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.882 0.107 18231 8027 1 16 . 1 1 71 71 PHE H H 71 8.938 8.938 8.898 0.040 18231 8028 1 16 . 1 1 72 72 GLN N N 72 116.762 116.762 118.280 -1.518 18231 8029 1 16 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.694 -0.000 18231 8030 1 16 . 1 1 72 72 GLN C C 72 175.208 175.208 178.074 -2.866 18231 8031 1 16 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.769 -0.550 18231 8032 1 16 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.375 -0.570 18231 8033 1 16 . 1 1 72 72 GLN H H 72 7.997 7.997 8.875 -0.878 18231 8034 1 16 . 1 1 73 73 GLU N N 73 120.146 120.146 119.922 0.224 18231 8035 1 16 . 1 1 73 73 GLU HA H 73 4.096 4.096 4.000 0.096 18231 8036 1 16 . 1 1 73 73 GLU C C 73 174.746 174.746 178.883 -4.137 18231 8037 1 16 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.471 -1.367 18231 8038 1 16 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.475 0.371 18231 8039 1 16 . 1 1 73 73 GLU H H 73 8.289 8.289 7.605 0.684 18231 8040 1 16 . 1 1 74 74 TYR N N 74 121.506 121.506 121.749 -0.243 18231 8041 1 16 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.165 -0.052 18231 8042 1 16 . 1 1 74 74 TYR C C 74 176.925 176.925 177.429 -0.504 18231 8043 1 16 . 1 1 74 74 TYR CA C 74 59.101 59.101 60.972 -1.871 18231 8044 1 16 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.473 -1.101 18231 8045 1 16 . 1 1 74 74 TYR H H 74 8.324 8.324 8.634 -0.310 18231 8046 1 16 . 1 1 75 75 VAL N N 75 120.725 120.725 118.787 1.938 18231 8047 1 16 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.151 -0.278 18231 8048 1 16 . 1 1 75 75 VAL C C 75 176.738 176.738 177.908 -1.170 18231 8049 1 16 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.212 -0.332 18231 8050 1 16 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.571 0.429 18231 8051 1 16 . 1 1 75 75 VAL H H 75 8.074 8.074 8.206 -0.132 18231 8052 1 16 . 1 1 76 76 VAL N N 76 120.118 120.118 119.509 0.609 18231 8053 1 16 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.559 -0.139 18231 8054 1 16 . 1 1 76 76 VAL C C 76 174.620 174.620 178.186 -3.566 18231 8055 1 16 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.581 -0.172 18231 8056 1 16 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.111 -0.335 18231 8057 1 16 . 1 1 76 76 VAL H H 76 7.119 7.119 7.408 -0.289 18231 8058 1 16 . 1 1 77 77 LEU N N 77 120.709 120.709 121.367 -0.658 18231 8059 1 16 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.012 0.018 18231 8060 1 16 . 1 1 77 77 LEU C C 77 175.943 175.943 178.642 -2.699 18231 8061 1 16 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.342 -1.402 18231 8062 1 16 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.916 -0.808 18231 8063 1 16 . 1 1 77 77 LEU H H 77 6.865 6.865 8.034 -1.169 18231 8064 1 16 . 1 1 78 78 VAL N N 78 116.930 116.930 116.327 0.603 18231 8065 1 16 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.612 -0.472 18231 8066 1 16 . 1 1 78 78 VAL C C 78 174.150 174.150 177.201 -3.051 18231 8067 1 16 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.810 0.568 18231 8068 1 16 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.808 -0.580 18231 8069 1 16 . 1 1 78 78 VAL H H 78 7.539 7.539 8.033 -0.494 18231 8070 1 16 . 1 1 79 79 ALA N N 79 124.551 124.551 122.307 2.244 18231 8071 1 16 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.944 -0.252 18231 8072 1 16 . 1 1 79 79 ALA C C 79 175.111 175.111 179.271 -4.160 18231 8073 1 16 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.192 0.300 18231 8074 1 16 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.873 -0.410 18231 8075 1 16 . 1 1 79 79 ALA H H 79 8.918 8.918 8.188 0.730 18231 8076 1 16 . 1 1 80 80 ALA N N 80 120.223 120.223 121.011 -0.788 18231 8077 1 16 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.144 -0.079 18231 8078 1 16 . 1 1 80 80 ALA C C 80 171.473 171.473 179.340 -7.867 18231 8079 1 16 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.618 0.308 18231 8080 1 16 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.438 -1.012 18231 8081 1 16 . 1 1 80 80 ALA H H 80 7.760 7.760 7.952 -0.192 18231 8082 1 16 . 1 1 81 81 LEU N N 81 119.090 119.090 119.657 -0.567 18231 8083 1 16 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.078 0.010 18231 8084 1 16 . 1 1 81 81 LEU C C 81 174.008 174.008 178.756 -4.748 18231 8085 1 16 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.867 -0.210 18231 8086 1 16 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.766 0.465 18231 8087 1 16 . 1 1 81 81 LEU H H 81 8.542 8.542 8.093 0.449 18231 8088 1 16 . 1 1 82 82 THR N N 82 119.585 119.585 114.066 5.519 18231 8089 1 16 . 1 1 82 82 THR HA H 82 4.332 4.332 4.016 0.316 18231 8090 1 16 . 1 1 82 82 THR C C 82 176.758 176.758 176.607 0.151 18231 8091 1 16 . 1 1 82 82 THR CA C 82 67.286 67.286 65.904 1.382 18231 8092 1 16 . 1 1 82 82 THR CB C 82 68.127 68.127 68.734 -0.607 18231 8093 1 16 . 1 1 82 82 THR H H 82 8.421 8.421 8.097 0.324 18231 8094 1 16 . 1 1 83 83 VAL N N 83 121.934 121.934 120.909 1.025 18231 8095 1 16 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.727 -0.012 18231 8096 1 16 . 1 1 83 83 VAL C C 83 175.556 175.556 177.914 -2.358 18231 8097 1 16 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.215 0.688 18231 8098 1 16 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.398 0.148 18231 8099 1 16 . 1 1 83 83 VAL H H 83 8.077 8.077 7.460 0.617 18231 8100 1 16 . 1 1 84 84 ALA N N 84 121.367 121.367 122.632 -1.265 18231 8101 1 16 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.078 0.123 18231 8102 1 16 . 1 1 84 84 ALA C C 84 173.936 173.936 179.604 -5.668 18231 8103 1 16 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.315 -0.035 18231 8104 1 16 . 1 1 84 84 ALA CB C 84 17.607 17.607 18.117 -0.510 18231 8105 1 16 . 1 1 84 84 ALA H H 84 7.835 7.835 8.423 -0.588 18231 8106 1 16 . 1 1 85 85 CYS N N 85 116.731 116.731 116.658 0.073 18231 8107 1 16 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.304 -0.067 18231 8108 1 16 . 1 1 85 85 CYS CA C 85 56.651 56.651 63.988 -7.337 18231 8109 1 16 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.708 12.262 18231 8110 1 16 . 1 1 85 85 CYS H H 85 8.244 8.244 8.069 0.175 18231 8111 1 16 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.507 -0.124 18231 8112 1 16 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.016 -1.037 18231 8113 1 16 . 1 1 86 86 ASN CB C 86 40.491 40.491 37.771 2.720 18231 8114 1 16 . 1 1 87 87 ASN N N 87 120.372 120.372 119.705 0.667 18231 8115 1 16 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.698 -0.301 18231 8116 1 16 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.931 -0.962 18231 8117 1 16 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.233 -0.845 18231 8118 1 16 . 1 1 87 87 ASN H H 87 7.539 7.539 7.635 -0.096 18231 8119 1 16 . 1 1 88 88 PHE N N 88 118.684 118.684 118.820 -0.136 18231 8120 1 16 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.377 -0.005 18231 8121 1 16 . 1 1 88 88 PHE C C 88 177.050 177.050 177.665 -0.615 18231 8122 1 16 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.749 -2.376 18231 8123 1 16 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.490 0.529 18231 8124 1 16 . 1 1 88 88 PHE H H 88 7.862 7.862 8.330 -0.468 18231 8125 1 16 . 1 1 89 89 PHE N N 89 118.515 118.515 120.077 -1.562 18231 8126 1 16 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.132 0.156 18231 8127 1 16 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.916 -2.658 18231 8128 1 16 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.792 0.440 18231 8129 1 16 . 1 1 89 89 PHE H H 89 7.898 7.898 7.823 0.075 18231 8130 1 16 . 1 1 90 90 TRP N N 90 118.964 118.964 117.333 1.631 18231 8131 1 16 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.382 0.103 18231 8132 1 16 . 1 1 90 90 TRP C C 90 174.481 174.481 177.639 -3.158 18231 8133 1 16 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.714 -2.343 18231 8134 1 16 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.265 0.011 18231 8135 1 16 . 1 1 90 90 TRP H H 90 7.773 7.773 7.487 0.286 18231 8136 1 16 . 1 1 91 91 GLU N N 91 120.150 120.150 116.057 4.093 18231 8137 1 16 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.162 -0.105 18231 8138 1 16 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.210 -0.233 18231 8139 1 16 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.967 0.127 18231 8140 1 16 . 1 1 91 91 GLU H H 91 7.812 7.812 7.563 0.249 18231 8141 1 16 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.841 -0.173 18231 8142 1 16 . 1 1 92 92 ASN C C 92 175.577 175.577 174.061 1.516 18231 8143 1 16 . 1 1 92 92 ASN CA C 92 52.806 52.806 52.304 0.502 18231 8144 1 16 . 1 1 92 92 ASN CB C 92 38.795 38.795 39.187 -0.392 18231 8145 1 17 . 1 1 2 2 SER N N 2 118.234 118.234 116.261 1.973 18231 8146 1 17 . 1 1 2 2 SER HA H 2 4.750 4.750 4.511 0.239 18231 8147 1 17 . 1 1 2 2 SER C C 2 178.105 178.105 175.540 2.565 18231 8148 1 17 . 1 1 2 2 SER CA C 2 57.133 57.133 57.749 -0.616 18231 8149 1 17 . 1 1 2 2 SER CB C 2 64.624 64.624 64.491 0.133 18231 8150 1 17 . 1 1 2 2 SER H H 2 9.007 9.007 8.425 0.582 18231 8151 1 17 . 1 1 3 3 GLU N N 3 123.466 123.466 121.089 2.377 18231 8152 1 17 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.064 0.075 18231 8153 1 17 . 1 1 3 3 GLU C C 3 173.854 173.854 178.746 -4.892 18231 8154 1 17 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.983 1.127 18231 8155 1 17 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.464 -0.564 18231 8156 1 17 . 1 1 3 3 GLU H H 3 9.436 9.436 8.921 0.515 18231 8157 1 17 . 1 1 4 4 LEU N N 4 119.878 119.878 119.035 0.843 18231 8158 1 17 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.059 0.027 18231 8159 1 17 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.758 0.151 18231 8160 1 17 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.386 0.019 18231 8161 1 17 . 1 1 4 4 LEU H H 4 8.891 8.891 7.925 0.966 18231 8162 1 17 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.038 -0.027 18231 8163 1 17 . 1 1 5 5 GLU C C 5 173.709 173.709 178.341 -4.632 18231 8164 1 17 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.571 0.025 18231 8165 1 17 . 1 1 5 5 GLU CB C 5 29.055 29.055 28.903 0.152 18231 8166 1 17 . 1 1 6 6 THR N N 6 116.614 116.614 115.469 1.145 18231 8167 1 17 . 1 1 6 6 THR HA H 6 4.019 4.019 4.026 -0.007 18231 8168 1 17 . 1 1 6 6 THR C C 6 176.965 176.965 176.330 0.635 18231 8169 1 17 . 1 1 6 6 THR CA C 6 66.175 66.175 66.535 -0.360 18231 8170 1 17 . 1 1 6 6 THR CB C 6 68.280 68.280 68.129 0.151 18231 8171 1 17 . 1 1 6 6 THR H H 6 8.316 8.316 7.566 0.750 18231 8172 1 17 . 1 1 7 7 ALA N N 7 126.118 126.118 124.880 1.238 18231 8173 1 17 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.152 -0.016 18231 8174 1 17 . 1 1 7 7 ALA C C 7 173.544 173.544 179.867 -6.323 18231 8175 1 17 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.852 -0.014 18231 8176 1 17 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.228 -0.778 18231 8177 1 17 . 1 1 7 7 ALA H H 7 8.167 8.167 7.453 0.714 18231 8178 1 17 . 1 1 8 8 MET N N 8 117.610 117.610 117.771 -0.161 18231 8179 1 17 . 1 1 8 8 MET HA H 8 4.174 4.174 4.055 0.119 18231 8180 1 17 . 1 1 8 8 MET C C 8 175.513 175.513 178.789 -3.276 18231 8181 1 17 . 1 1 8 8 MET CA C 8 61.988 61.988 59.526 2.462 18231 8182 1 17 . 1 1 8 8 MET CB C 8 26.277 26.277 32.478 -6.201 18231 8183 1 17 . 1 1 8 8 MET H H 8 8.286 8.286 7.755 0.531 18231 8184 1 17 . 1 1 9 9 GLU N N 9 117.751 117.751 118.393 -0.642 18231 8185 1 17 . 1 1 9 9 GLU HA H 9 3.920 3.920 3.973 -0.053 18231 8186 1 17 . 1 1 9 9 GLU C C 9 174.479 174.479 179.076 -4.597 18231 8187 1 17 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.737 -0.318 18231 8188 1 17 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.581 -0.567 18231 8189 1 17 . 1 1 9 9 GLU H H 9 8.055 8.055 7.886 0.169 18231 8190 1 17 . 1 1 10 10 THR N N 10 117.936 117.936 115.520 2.416 18231 8191 1 17 . 1 1 10 10 THR HA H 10 4.083 4.083 4.108 -0.025 18231 8192 1 17 . 1 1 10 10 THR C C 10 177.781 177.781 176.584 1.197 18231 8193 1 17 . 1 1 10 10 THR CA C 10 66.869 66.869 65.765 1.104 18231 8194 1 17 . 1 1 10 10 THR CB C 10 67.663 67.663 68.374 -0.711 18231 8195 1 17 . 1 1 10 10 THR H H 10 8.398 8.398 8.339 0.059 18231 8196 1 17 . 1 1 11 11 LEU N N 11 119.632 119.632 122.437 -2.805 18231 8197 1 17 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.316 -0.360 18231 8198 1 17 . 1 1 11 11 LEU CA C 11 58.868 58.868 59.248 -0.380 18231 8199 1 17 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.650 -0.053 18231 8200 1 17 . 1 1 11 11 LEU H H 11 8.134 8.134 7.533 0.601 18231 8201 1 17 . 1 1 12 12 ILE N N 12 119.532 119.532 119.840 -0.308 18231 8202 1 17 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.213 0.755 18231 8203 1 17 . 1 1 12 12 ILE C C 12 175.378 175.378 178.110 -2.732 18231 8204 1 17 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.531 -0.159 18231 8205 1 17 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.313 1.619 18231 8206 1 17 . 1 1 12 12 ILE H H 12 7.751 7.751 7.653 0.098 18231 8207 1 17 . 1 1 13 13 ASN N N 13 121.617 121.617 118.509 3.108 18231 8208 1 17 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.427 0.100 18231 8209 1 17 . 1 1 13 13 ASN C C 13 174.457 174.457 177.788 -3.331 18231 8210 1 17 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.288 -0.228 18231 8211 1 17 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.181 -0.524 18231 8212 1 17 . 1 1 13 13 ASN H H 13 9.012 9.012 8.469 0.543 18231 8213 1 17 . 1 1 14 14 VAL N N 14 120.538 120.538 119.915 0.623 18231 8214 1 17 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.799 0.016 18231 8215 1 17 . 1 1 14 14 VAL C C 14 176.194 176.194 178.030 -1.836 18231 8216 1 17 . 1 1 14 14 VAL CA C 14 66.080 66.080 66.905 -0.825 18231 8217 1 17 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.399 0.172 18231 8218 1 17 . 1 1 14 14 VAL H H 14 8.951 8.951 8.360 0.591 18231 8219 1 17 . 1 1 15 15 PHE N N 15 117.397 117.397 121.215 -3.818 18231 8220 1 17 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.097 -0.628 18231 8221 1 17 . 1 1 15 15 PHE C C 15 176.028 176.028 177.491 -1.463 18231 8222 1 17 . 1 1 15 15 PHE CA C 15 62.163 62.163 61.839 0.324 18231 8223 1 17 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.239 -0.304 18231 8224 1 17 . 1 1 15 15 PHE H H 15 6.953 6.953 8.731 -1.778 18231 8225 1 17 . 1 1 16 16 HIS N N 16 115.032 115.032 120.354 -5.322 18231 8226 1 17 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.039 0.797 18231 8227 1 17 . 1 1 16 16 HIS C C 16 176.028 176.028 177.257 -1.229 18231 8228 1 17 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.987 -1.970 18231 8229 1 17 . 1 1 16 16 HIS CB C 16 28.281 28.281 30.018 -1.737 18231 8230 1 17 . 1 1 16 16 HIS H H 16 7.736 7.736 8.633 -0.897 18231 8231 1 17 . 1 1 17 17 ALA N N 17 123.252 123.252 121.537 1.715 18231 8232 1 17 . 1 1 17 17 ALA HA H 17 4.048 4.048 4.088 -0.040 18231 8233 1 17 . 1 1 17 17 ALA C C 17 174.507 174.507 179.915 -5.408 18231 8234 1 17 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.986 -1.291 18231 8235 1 17 . 1 1 17 17 ALA CB C 17 17.354 17.354 18.083 -0.729 18231 8236 1 17 . 1 1 17 17 ALA H H 17 8.070 8.070 8.332 -0.262 18231 8237 1 17 . 1 1 18 18 HIS N N 18 113.812 113.812 116.649 -2.837 18231 8238 1 17 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.270 0.120 18231 8239 1 17 . 1 1 18 18 HIS C C 18 177.747 177.747 178.512 -0.765 18231 8240 1 17 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.455 -2.520 18231 8241 1 17 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.569 2.571 18231 8242 1 17 . 1 1 18 18 HIS H H 18 7.043 7.043 8.225 -1.182 18231 8243 1 17 . 1 1 19 19 SER N N 19 113.634 113.634 116.365 -2.731 18231 8244 1 17 . 1 1 19 19 SER HA H 19 3.673 3.673 4.281 -0.608 18231 8245 1 17 . 1 1 19 19 SER C C 19 176.511 176.511 176.909 -0.398 18231 8246 1 17 . 1 1 19 19 SER CA C 19 60.926 60.926 60.950 -0.024 18231 8247 1 17 . 1 1 19 19 SER CB C 19 60.919 60.919 62.656 -1.737 18231 8248 1 17 . 1 1 19 19 SER H H 19 8.489 8.489 8.349 0.140 18231 8249 1 17 . 1 1 20 20 GLY N N 20 111.572 111.572 109.035 2.537 18231 8250 1 17 . 1 1 20 20 GLY C C 20 179.798 179.798 175.253 4.545 18231 8251 1 17 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.523 -1.431 18231 8252 1 17 . 1 1 20 20 GLY H H 20 7.734 7.734 8.267 -0.533 18231 8253 1 17 . 1 1 21 21 LYS N N 21 122.204 122.204 121.525 0.679 18231 8254 1 17 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.040 -0.116 18231 8255 1 17 . 1 1 21 21 LYS C C 21 176.162 176.162 177.506 -1.344 18231 8256 1 17 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.716 0.380 18231 8257 1 17 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.650 -0.750 18231 8258 1 17 . 1 1 21 21 LYS H H 21 7.196 7.196 7.615 -0.419 18231 8259 1 17 . 1 1 22 22 GLU N N 22 115.840 115.840 117.338 -1.498 18231 8260 1 17 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.479 0.188 18231 8261 1 17 . 1 1 22 22 GLU C C 22 176.511 176.511 176.989 -0.478 18231 8262 1 17 . 1 1 22 22 GLU CA C 22 53.781 53.781 54.756 -0.975 18231 8263 1 17 . 1 1 22 22 GLU CB C 22 32.641 32.641 28.712 3.929 18231 8264 1 17 . 1 1 22 22 GLU H H 22 9.363 9.363 8.344 1.019 18231 8265 1 17 . 1 1 23 23 GLY N N 23 111.558 111.558 110.267 1.291 18231 8266 1 17 . 1 1 23 23 GLY CA C 23 45.500 45.500 46.463 -0.963 18231 8267 1 17 . 1 1 23 23 GLY H H 23 7.710 7.710 8.439 -0.729 18231 8268 1 17 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.732 -0.324 18231 8269 1 17 . 1 1 24 24 ASP C C 24 173.495 173.495 177.421 -3.926 18231 8270 1 17 . 1 1 24 24 ASP CA C 24 54.717 54.717 52.948 1.769 18231 8271 1 17 . 1 1 24 24 ASP CB C 24 42.060 42.060 40.734 1.326 18231 8272 1 17 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.765 0.522 18231 8273 1 17 . 1 1 25 25 LYS CA C 25 57.529 57.529 58.976 -1.447 18231 8274 1 17 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.276 -1.367 18231 8275 1 17 . 1 1 26 26 TYR N N 26 119.467 119.467 115.233 4.234 18231 8276 1 17 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.431 0.280 18231 8277 1 17 . 1 1 26 26 TYR C C 26 179.682 179.682 176.144 3.538 18231 8278 1 17 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.994 -4.170 18231 8279 1 17 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.510 -0.839 18231 8280 1 17 . 1 1 26 26 TYR H H 26 9.377 9.377 8.348 1.029 18231 8281 1 17 . 1 1 27 27 LYS N N 27 114.770 114.770 118.877 -4.107 18231 8282 1 17 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.624 0.498 18231 8283 1 17 . 1 1 27 27 LYS C C 27 178.721 178.721 175.376 3.345 18231 8284 1 17 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.887 -0.160 18231 8285 1 17 . 1 1 27 27 LYS CB C 27 38.489 38.489 34.612 3.877 18231 8286 1 17 . 1 1 27 27 LYS H H 27 7.100 7.100 7.574 -0.474 18231 8287 1 17 . 1 1 28 28 LEU N N 28 125.858 125.858 128.587 -2.729 18231 8288 1 17 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.985 0.198 18231 8289 1 17 . 1 1 28 28 LEU C C 28 177.490 177.490 175.735 1.755 18231 8290 1 17 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.679 -1.346 18231 8291 1 17 . 1 1 28 28 LEU CB C 28 42.586 42.586 45.001 -2.415 18231 8292 1 17 . 1 1 28 28 LEU H H 28 9.750 9.750 8.322 1.428 18231 8293 1 17 . 1 1 29 29 SER N N 29 120.926 120.926 120.578 0.348 18231 8294 1 17 . 1 1 29 29 SER HA H 29 4.560 4.560 4.787 -0.227 18231 8295 1 17 . 1 1 29 29 SER C C 29 178.943 178.943 175.090 3.853 18231 8296 1 17 . 1 1 29 29 SER CA C 29 55.907 55.907 57.029 -1.122 18231 8297 1 17 . 1 1 29 29 SER CB C 29 65.035 65.035 65.449 -0.414 18231 8298 1 17 . 1 1 29 29 SER H H 29 9.907 9.907 8.543 1.364 18231 8299 1 17 . 1 1 30 30 LYS N N 30 120.263 120.263 124.915 -4.652 18231 8300 1 17 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.874 -0.023 18231 8301 1 17 . 1 1 30 30 LYS C C 30 175.519 175.519 178.291 -2.772 18231 8302 1 17 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.695 -0.035 18231 8303 1 17 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.122 -0.384 18231 8304 1 17 . 1 1 30 30 LYS H H 30 8.838 8.838 8.948 -0.110 18231 8305 1 17 . 1 1 31 31 LYS N N 31 118.292 118.292 118.205 0.087 18231 8306 1 17 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.045 -0.123 18231 8307 1 17 . 1 1 31 31 LYS C C 31 174.664 174.664 178.835 -4.171 18231 8308 1 17 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.717 -0.418 18231 8309 1 17 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.040 0.625 18231 8310 1 17 . 1 1 31 31 LYS H H 31 7.903 7.903 8.443 -0.540 18231 8311 1 17 . 1 1 32 32 GLU N N 32 119.243 119.243 117.995 1.248 18231 8312 1 17 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.017 -0.110 18231 8313 1 17 . 1 1 32 32 GLU C C 32 174.836 174.836 178.940 -4.104 18231 8314 1 17 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.346 -1.030 18231 8315 1 17 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.436 1.441 18231 8316 1 17 . 1 1 32 32 GLU H H 32 7.499 7.499 8.092 -0.593 18231 8317 1 17 . 1 1 33 33 LEU N N 33 119.432 119.432 117.829 1.603 18231 8318 1 17 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.073 -0.155 18231 8319 1 17 . 1 1 33 33 LEU C C 33 175.740 175.740 178.187 -2.447 18231 8320 1 17 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.979 -0.710 18231 8321 1 17 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.633 -0.652 18231 8322 1 17 . 1 1 33 33 LEU H H 33 9.062 9.062 8.148 0.914 18231 8323 1 17 . 1 1 34 34 LYS N N 34 119.090 119.090 120.236 -1.146 18231 8324 1 17 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.824 -0.170 18231 8325 1 17 . 1 1 34 34 LYS C C 34 175.916 175.916 178.428 -2.512 18231 8326 1 17 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.184 0.100 18231 8327 1 17 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.084 -0.684 18231 8328 1 17 . 1 1 34 34 LYS H H 34 8.236 8.236 8.317 -0.081 18231 8329 1 17 . 1 1 35 35 GLU N N 35 117.482 117.482 118.127 -0.645 18231 8330 1 17 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.970 0.027 18231 8331 1 17 . 1 1 35 35 GLU C C 35 174.549 174.549 178.699 -4.150 18231 8332 1 17 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.263 -0.034 18231 8333 1 17 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.201 -0.368 18231 8334 1 17 . 1 1 35 35 GLU H H 35 7.734 7.734 7.839 -0.105 18231 8335 1 17 . 1 1 36 36 LEU N N 36 124.601 124.601 119.962 4.639 18231 8336 1 17 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.917 -1.229 18231 8337 1 17 . 1 1 36 36 LEU C C 36 174.780 174.780 178.988 -4.208 18231 8338 1 17 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.672 1.655 18231 8339 1 17 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.175 0.460 18231 8340 1 17 . 1 1 36 36 LEU H H 36 8.308 8.308 8.037 0.271 18231 8341 1 17 . 1 1 37 37 LEU N N 37 118.901 118.901 118.990 -0.089 18231 8342 1 17 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.932 -0.199 18231 8343 1 17 . 1 1 37 37 LEU C C 37 174.771 174.771 179.258 -4.487 18231 8344 1 17 . 1 1 37 37 LEU CA C 37 57.913 57.913 58.146 -0.233 18231 8345 1 17 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.315 -0.029 18231 8346 1 17 . 1 1 37 37 LEU H H 37 8.663 8.663 8.403 0.260 18231 8347 1 17 . 1 1 38 38 GLN N N 38 114.582 114.582 118.394 -3.812 18231 8348 1 17 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.040 -0.083 18231 8349 1 17 . 1 1 38 38 GLN C C 38 175.747 175.747 177.617 -1.870 18231 8350 1 17 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.888 -0.717 18231 8351 1 17 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.882 -0.253 18231 8352 1 17 . 1 1 38 38 GLN H H 38 8.507 8.507 8.306 0.201 18231 8353 1 17 . 1 1 39 39 THR N N 39 110.227 110.227 113.523 -3.296 18231 8354 1 17 . 1 1 39 39 THR HA H 39 4.252 4.252 3.884 0.368 18231 8355 1 17 . 1 1 39 39 THR C C 39 176.966 176.966 175.966 1.000 18231 8356 1 17 . 1 1 39 39 THR CA C 39 64.485 64.485 65.263 -0.778 18231 8357 1 17 . 1 1 39 39 THR CB C 39 69.254 69.254 68.787 0.467 18231 8358 1 17 . 1 1 39 39 THR H H 39 7.845 7.845 7.813 0.032 18231 8359 1 17 . 1 1 40 40 GLU N N 40 117.400 117.400 120.569 -3.169 18231 8360 1 17 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.215 -0.065 18231 8361 1 17 . 1 1 40 40 GLU C C 40 177.343 177.343 176.817 0.526 18231 8362 1 17 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.348 -1.779 18231 8363 1 17 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.081 -0.500 18231 8364 1 17 . 1 1 40 40 GLU H H 40 8.460 8.460 8.096 0.364 18231 8365 1 17 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.592 0.435 18231 8366 1 17 . 1 1 41 41 LEU C C 41 176.458 176.458 178.059 -1.601 18231 8367 1 17 . 1 1 41 41 LEU CA C 41 52.435 52.435 54.196 -1.761 18231 8368 1 17 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.636 0.671 18231 8369 1 17 . 1 1 42 42 SER N N 42 116.528 116.528 120.543 -4.015 18231 8370 1 17 . 1 1 42 42 SER HA H 42 4.062 4.062 4.435 -0.373 18231 8371 1 17 . 1 1 42 42 SER CA C 42 61.213 61.213 62.140 -0.927 18231 8372 1 17 . 1 1 42 42 SER CB C 42 62.378 62.378 62.932 -0.554 18231 8373 1 17 . 1 1 42 42 SER H H 42 8.246 8.246 9.143 -0.897 18231 8374 1 17 . 1 1 43 43 GLY N N 43 111.367 111.367 109.295 2.072 18231 8375 1 17 . 1 1 43 43 GLY C C 43 177.750 177.750 175.688 2.062 18231 8376 1 17 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.338 -0.600 18231 8377 1 17 . 1 1 43 43 GLY H H 43 8.850 8.850 8.680 0.170 18231 8378 1 17 . 1 1 44 44 PHE N N 44 122.213 122.213 121.228 0.985 18231 8379 1 17 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.150 0.213 18231 8380 1 17 . 1 1 44 44 PHE C C 44 176.428 176.428 177.123 -0.695 18231 8381 1 17 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.699 -0.186 18231 8382 1 17 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.362 0.970 18231 8383 1 17 . 1 1 44 44 PHE H H 44 7.936 7.936 8.083 -0.147 18231 8384 1 17 . 1 1 45 45 LEU N N 45 119.395 119.395 120.625 -1.230 18231 8385 1 17 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.448 0.583 18231 8386 1 17 . 1 1 45 45 LEU C C 45 177.212 177.212 179.282 -2.070 18231 8387 1 17 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.458 -0.090 18231 8388 1 17 . 1 1 45 45 LEU CB C 45 40.041 40.041 39.866 0.175 18231 8389 1 17 . 1 1 45 45 LEU H H 45 8.133 8.133 6.808 1.325 18231 8390 1 17 . 1 1 46 46 ASP N N 46 117.384 117.384 119.453 -2.069 18231 8391 1 17 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.364 0.018 18231 8392 1 17 . 1 1 46 46 ASP C C 46 176.684 176.684 178.572 -1.888 18231 8393 1 17 . 1 1 46 46 ASP CA C 46 55.312 55.312 57.108 -1.796 18231 8394 1 17 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.992 0.548 18231 8395 1 17 . 1 1 46 46 ASP H H 46 8.139 8.139 8.494 -0.355 18231 8396 1 17 . 1 1 47 47 ALA N N 47 121.052 121.052 122.085 -1.033 18231 8397 1 17 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.072 0.092 18231 8398 1 17 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.667 -2.122 18231 8399 1 17 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.347 0.002 18231 8400 1 17 . 1 1 47 47 ALA H H 47 7.637 7.637 7.862 -0.225 18231 8401 1 17 . 1 1 48 48 GLN N N 48 116.271 116.271 118.140 -1.869 18231 8402 1 17 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.060 0.080 18231 8403 1 17 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.614 -3.635 18231 8404 1 17 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.457 -0.386 18231 8405 1 17 . 1 1 48 48 GLN H H 48 7.661 7.661 7.803 -0.142 18231 8406 1 17 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.086 0.043 18231 8407 1 17 . 1 1 49 49 LYS C C 49 177.345 177.345 177.285 0.060 18231 8408 1 17 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.132 -1.885 18231 8409 1 17 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.732 -0.952 18231 8410 1 17 . 1 1 50 50 ASP N N 50 118.526 118.526 117.926 0.600 18231 8411 1 17 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.778 -0.121 18231 8412 1 17 . 1 1 50 50 ASP C C 50 177.422 177.422 176.050 1.372 18231 8413 1 17 . 1 1 50 50 ASP CA C 50 53.834 53.834 53.300 0.534 18231 8414 1 17 . 1 1 50 50 ASP CB C 50 41.689 41.689 41.025 0.664 18231 8415 1 17 . 1 1 50 50 ASP H H 50 7.975 7.975 7.747 0.228 18231 8416 1 17 . 1 1 51 51 VAL N N 51 120.868 120.868 125.160 -4.292 18231 8417 1 17 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.749 0.231 18231 8418 1 17 . 1 1 51 51 VAL C C 51 177.212 177.212 176.814 0.398 18231 8419 1 17 . 1 1 51 51 VAL CA C 51 63.349 63.349 64.759 -1.410 18231 8420 1 17 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.312 -0.576 18231 8421 1 17 . 1 1 51 51 VAL H H 51 8.225 8.225 8.729 -0.504 18231 8422 1 17 . 1 1 52 52 ASP N N 52 121.054 121.054 120.436 0.618 18231 8423 1 17 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.303 0.475 18231 8424 1 17 . 1 1 52 52 ASP C C 52 176.912 176.912 177.811 -0.899 18231 8425 1 17 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.025 -3.636 18231 8426 1 17 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.872 0.200 18231 8427 1 17 . 1 1 52 52 ASP H H 52 8.403 8.403 8.031 0.372 18231 8428 1 17 . 1 1 53 53 ALA N N 53 123.449 123.449 122.288 1.161 18231 8429 1 17 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.037 -0.100 18231 8430 1 17 . 1 1 53 53 ALA C C 53 174.124 174.124 179.095 -4.971 18231 8431 1 17 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.827 0.136 18231 8432 1 17 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.319 0.554 18231 8433 1 17 . 1 1 53 53 ALA H H 53 7.757 7.757 7.851 -0.094 18231 8434 1 17 . 1 1 54 54 VAL N N 54 116.105 116.105 118.392 -2.287 18231 8435 1 17 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.625 -0.167 18231 8436 1 17 . 1 1 54 54 VAL C C 54 176.953 176.953 177.854 -0.901 18231 8437 1 17 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.786 -0.891 18231 8438 1 17 . 1 1 54 54 VAL CB C 54 30.580 30.580 30.833 -0.253 18231 8439 1 17 . 1 1 54 54 VAL H H 54 8.281 8.281 8.160 0.121 18231 8440 1 17 . 1 1 55 55 ASP N N 55 120.466 120.466 120.387 0.079 18231 8441 1 17 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.401 -0.236 18231 8442 1 17 . 1 1 55 55 ASP C C 55 174.997 174.997 178.823 -3.826 18231 8443 1 17 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.410 -0.210 18231 8444 1 17 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.069 0.451 18231 8445 1 17 . 1 1 55 55 ASP H H 55 7.667 7.667 8.183 -0.516 18231 8446 1 17 . 1 1 56 56 LYS N N 56 119.065 119.065 120.200 -1.135 18231 8447 1 17 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.048 -0.069 18231 8448 1 17 . 1 1 56 56 LYS C C 56 174.602 174.602 179.240 -4.638 18231 8449 1 17 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.307 -0.762 18231 8450 1 17 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.546 -0.946 18231 8451 1 17 . 1 1 56 56 LYS H H 56 7.628 7.628 7.385 0.243 18231 8452 1 17 . 1 1 57 57 VAL N N 57 119.756 119.756 119.544 0.212 18231 8453 1 17 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.662 0.065 18231 8454 1 17 . 1 1 57 57 VAL C C 57 175.782 175.782 178.126 -2.344 18231 8455 1 17 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.119 -0.520 18231 8456 1 17 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.974 -0.727 18231 8457 1 17 . 1 1 57 57 VAL H H 57 7.920 7.920 8.156 -0.236 18231 8458 1 17 . 1 1 58 58 MET N N 58 118.541 118.541 119.659 -1.118 18231 8459 1 17 . 1 1 58 58 MET HA H 58 3.936 3.936 4.126 -0.190 18231 8460 1 17 . 1 1 58 58 MET C C 58 176.330 176.330 177.149 -0.819 18231 8461 1 17 . 1 1 58 58 MET CA C 58 58.620 58.620 57.494 1.126 18231 8462 1 17 . 1 1 58 58 MET CB C 58 32.002 32.002 31.788 0.214 18231 8463 1 17 . 1 1 58 58 MET H H 58 8.426 8.426 8.333 0.093 18231 8464 1 17 . 1 1 59 59 LYS N N 59 116.084 116.084 119.168 -3.084 18231 8465 1 17 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.911 0.025 18231 8466 1 17 . 1 1 59 59 LYS C C 59 176.918 176.918 178.164 -1.246 18231 8467 1 17 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.692 -1.018 18231 8468 1 17 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.220 0.382 18231 8469 1 17 . 1 1 59 59 LYS H H 59 7.623 7.623 7.748 -0.125 18231 8470 1 17 . 1 1 60 60 GLU N N 60 117.227 117.227 117.070 0.157 18231 8471 1 17 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.069 -0.014 18231 8472 1 17 . 1 1 60 60 GLU C C 60 175.146 175.146 179.280 -4.134 18231 8473 1 17 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.650 -0.619 18231 8474 1 17 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.557 -0.242 18231 8475 1 17 . 1 1 60 60 GLU H H 60 7.592 7.592 7.655 -0.063 18231 8476 1 17 . 1 1 61 61 LEU N N 61 116.051 116.051 118.281 -2.230 18231 8477 1 17 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.137 0.226 18231 8478 1 17 . 1 1 61 61 LEU CA C 61 54.859 54.859 57.240 -2.381 18231 8479 1 17 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.075 1.502 18231 8480 1 17 . 1 1 61 61 LEU H H 61 8.045 8.045 7.306 0.739 18231 8481 1 17 . 1 1 62 62 ASP N N 62 116.891 116.891 118.603 -1.712 18231 8482 1 17 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.964 -0.264 18231 8483 1 17 . 1 1 62 62 ASP C C 62 176.806 176.806 176.856 -0.050 18231 8484 1 17 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.441 -0.326 18231 8485 1 17 . 1 1 62 62 ASP CB C 62 38.651 38.651 38.803 -0.152 18231 8486 1 17 . 1 1 62 62 ASP H H 62 8.008 8.008 8.219 -0.211 18231 8487 1 17 . 1 1 63 63 GLU N N 63 129.185 129.185 122.476 6.709 18231 8488 1 17 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.038 0.016 18231 8489 1 17 . 1 1 63 63 GLU C C 63 175.826 175.826 177.101 -1.275 18231 8490 1 17 . 1 1 63 63 GLU CA C 63 58.318 58.318 59.028 -0.710 18231 8491 1 17 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.791 0.427 18231 8492 1 17 . 1 1 63 63 GLU H H 63 8.347 8.347 7.821 0.526 18231 8493 1 17 . 1 1 64 64 ASN N N 64 112.618 112.618 114.844 -2.226 18231 8494 1 17 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.673 0.075 18231 8495 1 17 . 1 1 64 64 ASN C C 64 176.855 176.855 176.430 0.425 18231 8496 1 17 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.653 -1.027 18231 8497 1 17 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.038 -1.165 18231 8498 1 17 . 1 1 64 64 ASN H H 64 7.978 7.978 8.153 -0.175 18231 8499 1 17 . 1 1 65 65 GLY N N 65 109.111 109.111 109.146 -0.035 18231 8500 1 17 . 1 1 65 65 GLY C C 65 178.426 178.426 175.030 3.396 18231 8501 1 17 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.260 0.779 18231 8502 1 17 . 1 1 65 65 GLY H H 65 7.543 7.543 8.040 -0.497 18231 8503 1 17 . 1 1 66 66 ASP N N 66 119.205 119.205 119.498 -0.293 18231 8504 1 17 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.404 0.137 18231 8505 1 17 . 1 1 66 66 ASP C C 66 176.015 176.015 177.850 -1.835 18231 8506 1 17 . 1 1 66 66 ASP CA C 66 52.839 52.839 55.028 -2.189 18231 8507 1 17 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.091 -1.215 18231 8508 1 17 . 1 1 66 66 ASP H H 66 8.113 8.113 8.109 0.004 18231 8509 1 17 . 1 1 67 67 GLY N N 67 113.254 113.254 107.247 6.007 18231 8510 1 17 . 1 1 67 67 GLY C C 67 180.780 180.780 173.657 7.123 18231 8511 1 17 . 1 1 67 67 GLY CA C 67 45.213 45.213 45.008 0.205 18231 8512 1 17 . 1 1 67 67 GLY H H 67 10.267 10.267 8.790 1.477 18231 8513 1 17 . 1 1 68 68 GLU N N 68 116.975 116.975 119.474 -2.499 18231 8514 1 17 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.674 0.136 18231 8515 1 17 . 1 1 68 68 GLU C C 68 178.130 178.130 174.605 3.525 18231 8516 1 17 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.618 -0.488 18231 8517 1 17 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.651 2.101 18231 8518 1 17 . 1 1 68 68 GLU H H 68 7.714 7.714 8.345 -0.631 18231 8519 1 17 . 1 1 69 69 VAL N N 69 125.146 125.146 120.737 4.409 18231 8520 1 17 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.692 0.557 18231 8521 1 17 . 1 1 69 69 VAL C C 69 177.413 177.413 174.762 2.651 18231 8522 1 17 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.237 -0.535 18231 8523 1 17 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.744 -0.257 18231 8524 1 17 . 1 1 69 69 VAL H H 69 9.389 9.389 7.884 1.505 18231 8525 1 17 . 1 1 70 70 ASP N N 70 129.202 129.202 124.339 4.863 18231 8526 1 17 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.025 0.144 18231 8527 1 17 . 1 1 70 70 ASP C C 70 178.332 178.332 177.051 1.281 18231 8528 1 17 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.563 0.582 18231 8529 1 17 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.156 -3.058 18231 8530 1 17 . 1 1 70 70 ASP H H 70 9.109 9.109 8.580 0.529 18231 8531 1 17 . 1 1 71 71 PHE N N 71 118.298 118.298 124.633 -6.335 18231 8532 1 17 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.680 -0.753 18231 8533 1 17 . 1 1 71 71 PHE C C 71 176.763 176.763 176.551 0.212 18231 8534 1 17 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.645 1.406 18231 8535 1 17 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.872 0.117 18231 8536 1 17 . 1 1 71 71 PHE H H 71 8.938 8.938 8.863 0.075 18231 8537 1 17 . 1 1 72 72 GLN N N 72 116.762 116.762 116.308 0.454 18231 8538 1 17 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.794 -0.100 18231 8539 1 17 . 1 1 72 72 GLN C C 72 175.208 175.208 178.506 -3.298 18231 8540 1 17 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.569 -0.350 18231 8541 1 17 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.021 -0.215 18231 8542 1 17 . 1 1 72 72 GLN H H 72 7.997 7.997 9.018 -1.021 18231 8543 1 17 . 1 1 73 73 GLU N N 73 120.146 120.146 120.164 -0.018 18231 8544 1 17 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.989 0.107 18231 8545 1 17 . 1 1 73 73 GLU C C 73 174.746 174.746 178.676 -3.930 18231 8546 1 17 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.317 -1.213 18231 8547 1 17 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.639 0.207 18231 8548 1 17 . 1 1 73 73 GLU H H 73 8.289 8.289 7.842 0.447 18231 8549 1 17 . 1 1 74 74 TYR N N 74 121.506 121.506 121.137 0.369 18231 8550 1 17 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.125 -0.012 18231 8551 1 17 . 1 1 74 74 TYR C C 74 176.925 176.925 177.524 -0.599 18231 8552 1 17 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.032 -1.931 18231 8553 1 17 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.628 -1.256 18231 8554 1 17 . 1 1 74 74 TYR H H 74 8.324 8.324 8.294 0.030 18231 8555 1 17 . 1 1 75 75 VAL N N 75 120.725 120.725 115.949 4.776 18231 8556 1 17 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.149 -0.276 18231 8557 1 17 . 1 1 75 75 VAL C C 75 176.738 176.738 177.556 -0.818 18231 8558 1 17 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.185 -0.305 18231 8559 1 17 . 1 1 75 75 VAL CB C 75 31.000 31.000 31.051 -0.051 18231 8560 1 17 . 1 1 75 75 VAL H H 75 8.074 8.074 8.193 -0.119 18231 8561 1 17 . 1 1 76 76 VAL N N 76 120.118 120.118 120.598 -0.480 18231 8562 1 17 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.571 -0.150 18231 8563 1 17 . 1 1 76 76 VAL C C 76 174.620 174.620 178.174 -3.554 18231 8564 1 17 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.045 0.364 18231 8565 1 17 . 1 1 76 76 VAL CB C 76 30.776 30.776 30.853 -0.077 18231 8566 1 17 . 1 1 76 76 VAL H H 76 7.119 7.119 7.271 -0.152 18231 8567 1 17 . 1 1 77 77 LEU N N 77 120.709 120.709 121.216 -0.507 18231 8568 1 17 . 1 1 77 77 LEU HA H 77 4.030 4.030 3.991 0.039 18231 8569 1 17 . 1 1 77 77 LEU C C 77 175.943 175.943 178.579 -2.636 18231 8570 1 17 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.164 -1.224 18231 8571 1 17 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.865 -0.757 18231 8572 1 17 . 1 1 77 77 LEU H H 77 6.865 6.865 8.080 -1.215 18231 8573 1 17 . 1 1 78 78 VAL N N 78 116.930 116.930 116.784 0.146 18231 8574 1 17 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.672 -0.532 18231 8575 1 17 . 1 1 78 78 VAL C C 78 174.150 174.150 177.664 -3.514 18231 8576 1 17 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.093 1.285 18231 8577 1 17 . 1 1 78 78 VAL CB C 78 30.229 30.229 29.840 0.389 18231 8578 1 17 . 1 1 78 78 VAL H H 78 7.539 7.539 7.996 -0.457 18231 8579 1 17 . 1 1 79 79 ALA N N 79 124.551 124.551 123.153 1.398 18231 8580 1 17 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.888 -0.196 18231 8581 1 17 . 1 1 79 79 ALA C C 79 175.111 175.111 179.189 -4.078 18231 8582 1 17 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.249 0.243 18231 8583 1 17 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.916 -0.453 18231 8584 1 17 . 1 1 79 79 ALA H H 79 8.918 8.918 8.182 0.736 18231 8585 1 17 . 1 1 80 80 ALA N N 80 120.223 120.223 120.958 -0.735 18231 8586 1 17 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.109 -0.044 18231 8587 1 17 . 1 1 80 80 ALA C C 80 171.473 171.473 179.272 -7.799 18231 8588 1 17 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.550 0.376 18231 8589 1 17 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.414 -0.988 18231 8590 1 17 . 1 1 80 80 ALA H H 80 7.760 7.760 7.675 0.085 18231 8591 1 17 . 1 1 81 81 LEU N N 81 119.090 119.090 119.654 -0.564 18231 8592 1 17 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.981 0.107 18231 8593 1 17 . 1 1 81 81 LEU C C 81 174.008 174.008 178.639 -4.631 18231 8594 1 17 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.794 -0.137 18231 8595 1 17 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.649 0.582 18231 8596 1 17 . 1 1 81 81 LEU H H 81 8.542 8.542 8.119 0.423 18231 8597 1 17 . 1 1 82 82 THR N N 82 119.585 119.585 114.095 5.490 18231 8598 1 17 . 1 1 82 82 THR HA H 82 4.332 4.332 3.961 0.371 18231 8599 1 17 . 1 1 82 82 THR C C 82 176.758 176.758 176.530 0.228 18231 8600 1 17 . 1 1 82 82 THR CA C 82 67.286 67.286 65.676 1.610 18231 8601 1 17 . 1 1 82 82 THR CB C 82 68.127 68.127 68.508 -0.381 18231 8602 1 17 . 1 1 82 82 THR H H 82 8.421 8.421 7.995 0.426 18231 8603 1 17 . 1 1 83 83 VAL N N 83 121.934 121.934 121.719 0.215 18231 8604 1 17 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.669 0.046 18231 8605 1 17 . 1 1 83 83 VAL C C 83 175.556 175.556 177.754 -2.198 18231 8606 1 17 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.497 0.406 18231 8607 1 17 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.613 -0.067 18231 8608 1 17 . 1 1 83 83 VAL H H 83 8.077 8.077 7.332 0.745 18231 8609 1 17 . 1 1 84 84 ALA N N 84 121.367 121.367 122.446 -1.079 18231 8610 1 17 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.150 0.051 18231 8611 1 17 . 1 1 84 84 ALA C C 84 173.936 173.936 178.638 -4.702 18231 8612 1 17 . 1 1 84 84 ALA CA C 84 55.280 55.280 54.885 0.395 18231 8613 1 17 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.761 -0.154 18231 8614 1 17 . 1 1 84 84 ALA H H 84 7.835 7.835 8.128 -0.293 18231 8615 1 17 . 1 1 85 85 CYS N N 85 116.731 116.731 115.832 0.899 18231 8616 1 17 . 1 1 85 85 CYS HA H 85 4.237 4.237 3.177 1.060 18231 8617 1 17 . 1 1 85 85 CYS CA C 85 56.651 56.651 63.723 -7.072 18231 8618 1 17 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.777 12.193 18231 8619 1 17 . 1 1 85 85 CYS H H 85 8.244 8.244 7.545 0.699 18231 8620 1 17 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.396 -0.013 18231 8621 1 17 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.148 -1.169 18231 8622 1 17 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.271 2.220 18231 8623 1 17 . 1 1 87 87 ASN N N 87 120.372 120.372 119.872 0.500 18231 8624 1 17 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.743 -0.346 18231 8625 1 17 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.046 -1.077 18231 8626 1 17 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.605 -1.216 18231 8627 1 17 . 1 1 87 87 ASN H H 87 7.539 7.539 7.795 -0.256 18231 8628 1 17 . 1 1 88 88 PHE N N 88 118.684 118.684 118.751 -0.067 18231 8629 1 17 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.536 -0.164 18231 8630 1 17 . 1 1 88 88 PHE C C 88 177.050 177.050 177.652 -0.602 18231 8631 1 17 . 1 1 88 88 PHE CA C 88 59.373 59.373 58.241 1.132 18231 8632 1 17 . 1 1 88 88 PHE CB C 88 39.019 39.019 37.686 1.333 18231 8633 1 17 . 1 1 88 88 PHE H H 88 7.862 7.862 8.521 -0.658 18231 8634 1 17 . 1 1 89 89 PHE N N 89 118.515 118.515 119.856 -1.341 18231 8635 1 17 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.109 0.179 18231 8636 1 17 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.848 -2.590 18231 8637 1 17 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.598 0.634 18231 8638 1 17 . 1 1 89 89 PHE H H 89 7.898 7.898 7.776 0.122 18231 8639 1 17 . 1 1 90 90 TRP N N 90 118.964 118.964 116.653 2.311 18231 8640 1 17 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.351 0.134 18231 8641 1 17 . 1 1 90 90 TRP C C 90 174.481 174.481 177.781 -3.300 18231 8642 1 17 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.065 -1.694 18231 8643 1 17 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.441 -0.165 18231 8644 1 17 . 1 1 90 90 TRP H H 90 7.773 7.773 7.511 0.262 18231 8645 1 17 . 1 1 91 91 GLU N N 91 120.150 120.150 116.569 3.581 18231 8646 1 17 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.152 -0.095 18231 8647 1 17 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.329 -0.352 18231 8648 1 17 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.953 0.141 18231 8649 1 17 . 1 1 91 91 GLU H H 91 7.812 7.812 7.719 0.093 18231 8650 1 17 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.776 -0.108 18231 8651 1 17 . 1 1 92 92 ASN C C 92 175.577 175.577 173.480 2.097 18231 8652 1 17 . 1 1 92 92 ASN CA C 92 52.806 52.806 52.728 0.078 18231 8653 1 17 . 1 1 92 92 ASN CB C 92 38.795 38.795 39.596 -0.801 18231 8654 1 18 . 1 1 2 2 SER N N 2 118.234 118.234 115.150 3.084 18231 8655 1 18 . 1 1 2 2 SER HA H 2 4.750 4.750 4.773 -0.023 18231 8656 1 18 . 1 1 2 2 SER C C 2 178.105 178.105 174.950 3.155 18231 8657 1 18 . 1 1 2 2 SER CA C 2 57.133 57.133 56.690 0.443 18231 8658 1 18 . 1 1 2 2 SER CB C 2 64.624 64.624 66.244 -1.620 18231 8659 1 18 . 1 1 2 2 SER H H 2 9.007 9.007 8.710 0.297 18231 8660 1 18 . 1 1 3 3 GLU N N 3 123.466 123.466 121.330 2.136 18231 8661 1 18 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.097 0.042 18231 8662 1 18 . 1 1 3 3 GLU C C 3 173.854 173.854 178.672 -4.818 18231 8663 1 18 . 1 1 3 3 GLU CA C 3 60.110 60.110 59.153 0.957 18231 8664 1 18 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.427 -0.527 18231 8665 1 18 . 1 1 3 3 GLU H H 3 9.436 9.436 8.906 0.530 18231 8666 1 18 . 1 1 4 4 LEU N N 4 119.878 119.878 119.219 0.659 18231 8667 1 18 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.017 0.069 18231 8668 1 18 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.366 0.543 18231 8669 1 18 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.379 0.026 18231 8670 1 18 . 1 1 4 4 LEU H H 4 8.891 8.891 8.024 0.867 18231 8671 1 18 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.002 0.009 18231 8672 1 18 . 1 1 5 5 GLU C C 5 173.709 173.709 178.733 -5.024 18231 8673 1 18 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.367 0.229 18231 8674 1 18 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.656 -0.601 18231 8675 1 18 . 1 1 6 6 THR N N 6 116.614 116.614 116.471 0.143 18231 8676 1 18 . 1 1 6 6 THR HA H 6 4.019 4.019 4.082 -0.063 18231 8677 1 18 . 1 1 6 6 THR C C 6 176.965 176.965 176.316 0.649 18231 8678 1 18 . 1 1 6 6 THR CA C 6 66.175 66.175 66.345 -0.170 18231 8679 1 18 . 1 1 6 6 THR CB C 6 68.280 68.280 68.381 -0.101 18231 8680 1 18 . 1 1 6 6 THR H H 6 8.316 8.316 7.567 0.749 18231 8681 1 18 . 1 1 7 7 ALA N N 7 126.118 126.118 124.934 1.184 18231 8682 1 18 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.175 -0.039 18231 8683 1 18 . 1 1 7 7 ALA C C 7 173.544 173.544 179.403 -5.859 18231 8684 1 18 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.948 -0.110 18231 8685 1 18 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.282 -0.832 18231 8686 1 18 . 1 1 7 7 ALA H H 7 8.167 8.167 7.676 0.491 18231 8687 1 18 . 1 1 8 8 MET N N 8 117.610 117.610 116.935 0.675 18231 8688 1 18 . 1 1 8 8 MET HA H 8 4.174 4.174 4.070 0.104 18231 8689 1 18 . 1 1 8 8 MET C C 8 175.513 175.513 178.795 -3.282 18231 8690 1 18 . 1 1 8 8 MET CA C 8 61.988 61.988 59.488 2.500 18231 8691 1 18 . 1 1 8 8 MET CB C 8 26.277 26.277 32.570 -6.293 18231 8692 1 18 . 1 1 8 8 MET H H 8 8.286 8.286 7.630 0.656 18231 8693 1 18 . 1 1 9 9 GLU N N 9 117.751 117.751 118.807 -1.056 18231 8694 1 18 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.058 -0.138 18231 8695 1 18 . 1 1 9 9 GLU C C 9 174.479 174.479 179.118 -4.639 18231 8696 1 18 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.432 -0.013 18231 8697 1 18 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.644 -0.630 18231 8698 1 18 . 1 1 9 9 GLU H H 9 8.055 8.055 7.759 0.296 18231 8699 1 18 . 1 1 10 10 THR N N 10 117.936 117.936 115.484 2.452 18231 8700 1 18 . 1 1 10 10 THR HA H 10 4.083 4.083 4.107 -0.024 18231 8701 1 18 . 1 1 10 10 THR C C 10 177.781 177.781 176.569 1.212 18231 8702 1 18 . 1 1 10 10 THR CA C 10 66.869 66.869 65.844 1.026 18231 8703 1 18 . 1 1 10 10 THR CB C 10 67.663 67.663 68.314 -0.651 18231 8704 1 18 . 1 1 10 10 THR H H 10 8.398 8.398 8.336 0.062 18231 8705 1 18 . 1 1 11 11 LEU N N 11 119.632 119.632 121.638 -2.006 18231 8706 1 18 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.345 -0.389 18231 8707 1 18 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.348 0.520 18231 8708 1 18 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.038 0.559 18231 8709 1 18 . 1 1 11 11 LEU H H 11 8.134 8.134 7.523 0.611 18231 8710 1 18 . 1 1 12 12 ILE N N 12 119.532 119.532 120.053 -0.521 18231 8711 1 18 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.002 0.966 18231 8712 1 18 . 1 1 12 12 ILE C C 12 175.378 175.378 177.955 -2.577 18231 8713 1 18 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.490 -0.118 18231 8714 1 18 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.304 1.628 18231 8715 1 18 . 1 1 12 12 ILE H H 12 7.751 7.751 7.654 0.097 18231 8716 1 18 . 1 1 13 13 ASN N N 13 121.617 121.617 118.672 2.945 18231 8717 1 18 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.531 -0.004 18231 8718 1 18 . 1 1 13 13 ASN C C 13 174.457 174.457 177.679 -3.222 18231 8719 1 18 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.329 -0.269 18231 8720 1 18 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.421 -0.764 18231 8721 1 18 . 1 1 13 13 ASN H H 13 9.012 9.012 8.501 0.511 18231 8722 1 18 . 1 1 14 14 VAL N N 14 120.538 120.538 117.965 2.573 18231 8723 1 18 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.655 0.160 18231 8724 1 18 . 1 1 14 14 VAL C C 14 176.194 176.194 177.575 -1.381 18231 8725 1 18 . 1 1 14 14 VAL CA C 14 66.080 66.080 65.318 0.762 18231 8726 1 18 . 1 1 14 14 VAL CB C 14 31.571 31.571 30.650 0.921 18231 8727 1 18 . 1 1 14 14 VAL H H 14 8.951 8.951 8.191 0.760 18231 8728 1 18 . 1 1 15 15 PHE N N 15 117.397 117.397 122.801 -5.404 18231 8729 1 18 . 1 1 15 15 PHE HA H 15 3.469 3.469 3.879 -0.410 18231 8730 1 18 . 1 1 15 15 PHE C C 15 176.028 176.028 177.014 -0.986 18231 8731 1 18 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.589 -0.426 18231 8732 1 18 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.082 -0.147 18231 8733 1 18 . 1 1 15 15 PHE H H 15 6.953 6.953 8.386 -1.433 18231 8734 1 18 . 1 1 16 16 HIS N N 16 115.032 115.032 118.207 -3.175 18231 8735 1 18 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.210 0.626 18231 8736 1 18 . 1 1 16 16 HIS C C 16 176.028 176.028 177.688 -1.660 18231 8737 1 18 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.419 -1.402 18231 8738 1 18 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.335 -1.054 18231 8739 1 18 . 1 1 16 16 HIS H H 16 7.736 7.736 8.244 -0.508 18231 8740 1 18 . 1 1 17 17 ALA N N 17 123.252 123.252 121.887 1.365 18231 8741 1 18 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.904 0.144 18231 8742 1 18 . 1 1 17 17 ALA C C 17 174.507 174.507 179.705 -5.198 18231 8743 1 18 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.928 -1.233 18231 8744 1 18 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.987 -0.633 18231 8745 1 18 . 1 1 17 17 ALA H H 17 8.070 8.070 8.199 -0.129 18231 8746 1 18 . 1 1 18 18 HIS N N 18 113.812 113.812 116.684 -2.872 18231 8747 1 18 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.220 0.170 18231 8748 1 18 . 1 1 18 18 HIS C C 18 177.747 177.747 178.696 -0.949 18231 8749 1 18 . 1 1 18 18 HIS CA C 18 56.935 56.935 58.612 -1.677 18231 8750 1 18 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.185 2.955 18231 8751 1 18 . 1 1 18 18 HIS H H 18 7.043 7.043 8.172 -1.129 18231 8752 1 18 . 1 1 19 19 SER N N 19 113.634 113.634 116.378 -2.744 18231 8753 1 18 . 1 1 19 19 SER HA H 19 3.673 3.673 4.323 -0.650 18231 8754 1 18 . 1 1 19 19 SER C C 19 176.511 176.511 177.018 -0.507 18231 8755 1 18 . 1 1 19 19 SER CA C 19 60.926 60.926 61.144 -0.218 18231 8756 1 18 . 1 1 19 19 SER CB C 19 60.919 60.919 62.847 -1.929 18231 8757 1 18 . 1 1 19 19 SER H H 19 8.489 8.489 8.197 0.292 18231 8758 1 18 . 1 1 20 20 GLY N N 20 111.572 111.572 108.970 2.602 18231 8759 1 18 . 1 1 20 20 GLY C C 20 179.798 179.798 175.288 4.510 18231 8760 1 18 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.412 -1.320 18231 8761 1 18 . 1 1 20 20 GLY H H 20 7.734 7.734 8.327 -0.593 18231 8762 1 18 . 1 1 21 21 LYS N N 21 122.204 122.204 121.256 0.948 18231 8763 1 18 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.071 -0.147 18231 8764 1 18 . 1 1 21 21 LYS C C 21 176.162 176.162 176.840 -0.678 18231 8765 1 18 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.688 0.408 18231 8766 1 18 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.791 -0.891 18231 8767 1 18 . 1 1 21 21 LYS H H 21 7.196 7.196 7.635 -0.439 18231 8768 1 18 . 1 1 22 22 GLU N N 22 115.840 115.840 117.713 -1.873 18231 8769 1 18 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.493 0.174 18231 8770 1 18 . 1 1 22 22 GLU C C 22 176.511 176.511 176.079 0.432 18231 8771 1 18 . 1 1 22 22 GLU CA C 22 53.781 53.781 54.806 -1.025 18231 8772 1 18 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.111 3.530 18231 8773 1 18 . 1 1 22 22 GLU H H 22 9.363 9.363 7.688 1.675 18231 8774 1 18 . 1 1 23 23 GLY N N 23 111.558 111.558 110.845 0.713 18231 8775 1 18 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.461 0.039 18231 8776 1 18 . 1 1 23 23 GLY H H 23 7.710 7.710 8.114 -0.404 18231 8777 1 18 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.424 -0.016 18231 8778 1 18 . 1 1 24 24 ASP C C 24 173.495 173.495 177.104 -3.609 18231 8779 1 18 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.866 -0.149 18231 8780 1 18 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.540 2.520 18231 8781 1 18 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.957 0.330 18231 8782 1 18 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.556 -2.027 18231 8783 1 18 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.486 -1.577 18231 8784 1 18 . 1 1 26 26 TYR N N 26 119.467 119.467 116.149 3.318 18231 8785 1 18 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.547 0.164 18231 8786 1 18 . 1 1 26 26 TYR C C 26 179.682 179.682 176.051 3.631 18231 8787 1 18 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.878 -4.054 18231 8788 1 18 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.490 -0.819 18231 8789 1 18 . 1 1 26 26 TYR H H 26 9.377 9.377 8.391 0.986 18231 8790 1 18 . 1 1 27 27 LYS N N 27 114.770 114.770 118.467 -3.697 18231 8791 1 18 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.657 0.465 18231 8792 1 18 . 1 1 27 27 LYS C C 27 178.721 178.721 175.115 3.606 18231 8793 1 18 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.806 -0.079 18231 8794 1 18 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.445 3.044 18231 8795 1 18 . 1 1 27 27 LYS H H 27 7.100 7.100 7.676 -0.576 18231 8796 1 18 . 1 1 28 28 LEU N N 28 125.858 125.858 127.162 -1.304 18231 8797 1 18 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.877 0.306 18231 8798 1 18 . 1 1 28 28 LEU C C 28 177.490 177.490 175.363 2.127 18231 8799 1 18 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.550 -1.217 18231 8800 1 18 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.456 -1.870 18231 8801 1 18 . 1 1 28 28 LEU H H 28 9.750 9.750 8.324 1.426 18231 8802 1 18 . 1 1 29 29 SER N N 29 120.926 120.926 118.966 1.960 18231 8803 1 18 . 1 1 29 29 SER HA H 29 4.560 4.560 4.775 -0.215 18231 8804 1 18 . 1 1 29 29 SER C C 29 178.943 178.943 175.101 3.842 18231 8805 1 18 . 1 1 29 29 SER CA C 29 55.907 55.907 55.742 0.165 18231 8806 1 18 . 1 1 29 29 SER CB C 29 65.035 65.035 65.465 -0.430 18231 8807 1 18 . 1 1 29 29 SER H H 29 9.907 9.907 9.327 0.580 18231 8808 1 18 . 1 1 30 30 LYS N N 30 120.263 120.263 127.645 -7.382 18231 8809 1 18 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.891 -0.040 18231 8810 1 18 . 1 1 30 30 LYS C C 30 175.519 175.519 178.357 -2.838 18231 8811 1 18 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.634 0.026 18231 8812 1 18 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.467 -0.729 18231 8813 1 18 . 1 1 30 30 LYS H H 30 8.838 8.838 9.073 -0.235 18231 8814 1 18 . 1 1 31 31 LYS N N 31 118.292 118.292 117.697 0.595 18231 8815 1 18 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.020 -0.098 18231 8816 1 18 . 1 1 31 31 LYS C C 31 174.664 174.664 179.414 -4.750 18231 8817 1 18 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.562 -0.264 18231 8818 1 18 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.160 0.505 18231 8819 1 18 . 1 1 31 31 LYS H H 31 7.903 7.903 7.880 0.023 18231 8820 1 18 . 1 1 32 32 GLU N N 32 119.243 119.243 119.100 0.143 18231 8821 1 18 . 1 1 32 32 GLU HA H 32 3.907 3.907 3.993 -0.086 18231 8822 1 18 . 1 1 32 32 GLU C C 32 174.836 174.836 178.889 -4.053 18231 8823 1 18 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.051 -0.735 18231 8824 1 18 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.514 1.363 18231 8825 1 18 . 1 1 32 32 GLU H H 32 7.499 7.499 7.525 -0.026 18231 8826 1 18 . 1 1 33 33 LEU N N 33 119.432 119.432 120.718 -1.286 18231 8827 1 18 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.089 -0.171 18231 8828 1 18 . 1 1 33 33 LEU C C 33 175.740 175.740 177.947 -2.207 18231 8829 1 18 . 1 1 33 33 LEU CA C 33 57.269 57.269 58.028 -0.759 18231 8830 1 18 . 1 1 33 33 LEU CB C 33 40.981 40.981 42.110 -1.129 18231 8831 1 18 . 1 1 33 33 LEU H H 33 9.062 9.062 8.190 0.872 18231 8832 1 18 . 1 1 34 34 LYS N N 34 119.090 119.090 119.780 -0.690 18231 8833 1 18 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.825 -0.171 18231 8834 1 18 . 1 1 34 34 LYS C C 34 175.916 175.916 178.476 -2.560 18231 8835 1 18 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.029 0.255 18231 8836 1 18 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.127 -0.727 18231 8837 1 18 . 1 1 34 34 LYS H H 34 8.236 8.236 8.563 -0.327 18231 8838 1 18 . 1 1 35 35 GLU N N 35 117.482 117.482 119.032 -1.550 18231 8839 1 18 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.039 -0.042 18231 8840 1 18 . 1 1 35 35 GLU C C 35 174.549 174.549 178.558 -4.009 18231 8841 1 18 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.080 0.149 18231 8842 1 18 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.020 -0.187 18231 8843 1 18 . 1 1 35 35 GLU H H 35 7.734 7.734 7.643 0.091 18231 8844 1 18 . 1 1 36 36 LEU N N 36 124.601 124.601 119.787 4.814 18231 8845 1 18 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.893 -1.205 18231 8846 1 18 . 1 1 36 36 LEU C C 36 174.780 174.780 178.988 -4.208 18231 8847 1 18 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.759 1.568 18231 8848 1 18 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.282 0.352 18231 8849 1 18 . 1 1 36 36 LEU H H 36 8.308 8.308 7.984 0.324 18231 8850 1 18 . 1 1 37 37 LEU N N 37 118.901 118.901 118.977 -0.076 18231 8851 1 18 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.959 -0.226 18231 8852 1 18 . 1 1 37 37 LEU C C 37 174.771 174.771 179.590 -4.819 18231 8853 1 18 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.946 -0.033 18231 8854 1 18 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.285 0.001 18231 8855 1 18 . 1 1 37 37 LEU H H 37 8.663 8.663 8.407 0.256 18231 8856 1 18 . 1 1 38 38 GLN N N 38 114.582 114.582 118.222 -3.640 18231 8857 1 18 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.018 -0.061 18231 8858 1 18 . 1 1 38 38 GLN C C 38 175.747 175.747 177.788 -2.041 18231 8859 1 18 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.825 -0.653 18231 8860 1 18 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.842 -0.213 18231 8861 1 18 . 1 1 38 38 GLN H H 38 8.507 8.507 8.271 0.236 18231 8862 1 18 . 1 1 39 39 THR N N 39 110.227 110.227 114.104 -3.877 18231 8863 1 18 . 1 1 39 39 THR HA H 39 4.252 4.252 3.976 0.276 18231 8864 1 18 . 1 1 39 39 THR C C 39 176.966 176.966 176.136 0.830 18231 8865 1 18 . 1 1 39 39 THR CA C 39 64.485 64.485 65.421 -0.936 18231 8866 1 18 . 1 1 39 39 THR CB C 39 69.254 69.254 68.877 0.377 18231 8867 1 18 . 1 1 39 39 THR H H 39 7.845 7.845 7.930 -0.085 18231 8868 1 18 . 1 1 40 40 GLU N N 40 117.400 117.400 119.402 -2.002 18231 8869 1 18 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.156 -0.006 18231 8870 1 18 . 1 1 40 40 GLU C C 40 177.343 177.343 176.873 0.470 18231 8871 1 18 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.450 -1.881 18231 8872 1 18 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.204 -0.623 18231 8873 1 18 . 1 1 40 40 GLU H H 40 8.460 8.460 7.994 0.466 18231 8874 1 18 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.579 0.448 18231 8875 1 18 . 1 1 41 41 LEU C C 41 176.458 176.458 177.832 -1.374 18231 8876 1 18 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.809 -1.374 18231 8877 1 18 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.776 0.531 18231 8878 1 18 . 1 1 42 42 SER N N 42 116.528 116.528 120.582 -4.054 18231 8879 1 18 . 1 1 42 42 SER HA H 42 4.062 4.062 4.411 -0.349 18231 8880 1 18 . 1 1 42 42 SER CA C 42 61.213 61.213 61.666 -0.453 18231 8881 1 18 . 1 1 42 42 SER CB C 42 62.378 62.378 63.054 -0.676 18231 8882 1 18 . 1 1 42 42 SER H H 42 8.246 8.246 8.938 -0.692 18231 8883 1 18 . 1 1 43 43 GLY N N 43 111.367 111.367 108.786 2.581 18231 8884 1 18 . 1 1 43 43 GLY C C 43 177.750 177.750 175.633 2.117 18231 8885 1 18 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.208 -0.470 18231 8886 1 18 . 1 1 43 43 GLY H H 43 8.850 8.850 8.546 0.303 18231 8887 1 18 . 1 1 44 44 PHE N N 44 122.213 122.213 120.910 1.303 18231 8888 1 18 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.120 0.243 18231 8889 1 18 . 1 1 44 44 PHE C C 44 176.428 176.428 177.059 -0.631 18231 8890 1 18 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.490 0.022 18231 8891 1 18 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.215 1.117 18231 8892 1 18 . 1 1 44 44 PHE H H 44 7.936 7.936 8.068 -0.132 18231 8893 1 18 . 1 1 45 45 LEU N N 45 119.395 119.395 120.845 -1.450 18231 8894 1 18 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.465 0.566 18231 8895 1 18 . 1 1 45 45 LEU C C 45 177.212 177.212 179.388 -2.176 18231 8896 1 18 . 1 1 45 45 LEU CA C 45 57.368 57.368 56.898 0.470 18231 8897 1 18 . 1 1 45 45 LEU CB C 45 40.041 40.041 39.571 0.470 18231 8898 1 18 . 1 1 45 45 LEU H H 45 8.133 8.133 6.813 1.320 18231 8899 1 18 . 1 1 46 46 ASP N N 46 117.384 117.384 118.893 -1.509 18231 8900 1 18 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.294 0.088 18231 8901 1 18 . 1 1 46 46 ASP C C 46 176.684 176.684 178.344 -1.660 18231 8902 1 18 . 1 1 46 46 ASP CA C 46 55.312 55.312 56.898 -1.585 18231 8903 1 18 . 1 1 46 46 ASP CB C 46 40.540 40.540 39.991 0.549 18231 8904 1 18 . 1 1 46 46 ASP H H 46 8.139 8.139 8.584 -0.445 18231 8905 1 18 . 1 1 47 47 ALA N N 47 121.052 121.052 122.397 -1.345 18231 8906 1 18 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.021 0.143 18231 8907 1 18 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.726 -2.181 18231 8908 1 18 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.512 -0.164 18231 8909 1 18 . 1 1 47 47 ALA H H 47 7.637 7.637 7.819 -0.182 18231 8910 1 18 . 1 1 48 48 GLN N N 48 116.271 116.271 116.273 -0.002 18231 8911 1 18 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.052 0.088 18231 8912 1 18 . 1 1 48 48 GLN CA C 48 54.979 54.979 57.708 -2.728 18231 8913 1 18 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.921 -0.850 18231 8914 1 18 . 1 1 48 48 GLN H H 48 7.661 7.661 7.610 0.051 18231 8915 1 18 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.245 -0.116 18231 8916 1 18 . 1 1 49 49 LYS C C 49 177.345 177.345 175.223 2.122 18231 8917 1 18 . 1 1 49 49 LYS CA C 49 56.247 56.247 56.450 -0.203 18231 8918 1 18 . 1 1 49 49 LYS CB C 49 31.780 31.780 33.032 -1.252 18231 8919 1 18 . 1 1 50 50 ASP N N 50 118.526 118.526 122.370 -3.844 18231 8920 1 18 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.367 0.290 18231 8921 1 18 . 1 1 50 50 ASP C C 50 177.422 177.422 177.141 0.281 18231 8922 1 18 . 1 1 50 50 ASP CA C 50 53.834 53.834 55.317 -1.483 18231 8923 1 18 . 1 1 50 50 ASP CB C 50 41.689 41.689 39.424 2.265 18231 8924 1 18 . 1 1 50 50 ASP H H 50 7.975 7.975 8.897 -0.922 18231 8925 1 18 . 1 1 51 51 VAL N N 51 120.868 120.868 118.724 2.144 18231 8926 1 18 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.770 0.210 18231 8927 1 18 . 1 1 51 51 VAL C C 51 177.212 177.212 176.884 0.328 18231 8928 1 18 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.551 -2.202 18231 8929 1 18 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.145 -0.409 18231 8930 1 18 . 1 1 51 51 VAL H H 51 8.225 8.225 8.214 0.011 18231 8931 1 18 . 1 1 52 52 ASP N N 52 121.054 121.054 120.205 0.849 18231 8932 1 18 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.294 0.484 18231 8933 1 18 . 1 1 52 52 ASP C C 52 176.912 176.912 177.881 -0.969 18231 8934 1 18 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.359 -3.970 18231 8935 1 18 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.935 0.137 18231 8936 1 18 . 1 1 52 52 ASP H H 52 8.403 8.403 8.380 0.023 18231 8937 1 18 . 1 1 53 53 ALA N N 53 123.449 123.449 122.727 0.722 18231 8938 1 18 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.079 -0.142 18231 8939 1 18 . 1 1 53 53 ALA C C 53 174.124 174.124 179.465 -5.341 18231 8940 1 18 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.884 0.079 18231 8941 1 18 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.302 0.571 18231 8942 1 18 . 1 1 53 53 ALA H H 53 7.757 7.757 7.981 -0.224 18231 8943 1 18 . 1 1 54 54 VAL N N 54 116.105 116.105 118.775 -2.670 18231 8944 1 18 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.620 -0.162 18231 8945 1 18 . 1 1 54 54 VAL C C 54 176.953 176.953 177.670 -0.717 18231 8946 1 18 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.942 -1.048 18231 8947 1 18 . 1 1 54 54 VAL CB C 54 30.580 30.580 30.854 -0.274 18231 8948 1 18 . 1 1 54 54 VAL H H 54 8.281 8.281 8.095 0.186 18231 8949 1 18 . 1 1 55 55 ASP N N 55 120.466 120.466 119.753 0.713 18231 8950 1 18 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.388 -0.223 18231 8951 1 18 . 1 1 55 55 ASP C C 55 174.997 174.997 178.244 -3.247 18231 8952 1 18 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.347 -0.147 18231 8953 1 18 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.320 0.200 18231 8954 1 18 . 1 1 55 55 ASP H H 55 7.667 7.667 8.116 -0.449 18231 8955 1 18 . 1 1 56 56 LYS N N 56 119.065 119.065 119.488 -0.423 18231 8956 1 18 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.037 -0.057 18231 8957 1 18 . 1 1 56 56 LYS C C 56 174.602 174.602 179.351 -4.749 18231 8958 1 18 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.335 -0.790 18231 8959 1 18 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.515 -0.915 18231 8960 1 18 . 1 1 56 56 LYS H H 56 7.628 7.628 7.383 0.244 18231 8961 1 18 . 1 1 57 57 VAL N N 57 119.756 119.756 119.994 -0.238 18231 8962 1 18 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.725 0.002 18231 8963 1 18 . 1 1 57 57 VAL C C 57 175.782 175.782 178.132 -2.350 18231 8964 1 18 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.698 -1.099 18231 8965 1 18 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.629 -0.382 18231 8966 1 18 . 1 1 57 57 VAL H H 57 7.920 7.920 8.178 -0.258 18231 8967 1 18 . 1 1 58 58 MET N N 58 118.541 118.541 119.777 -1.236 18231 8968 1 18 . 1 1 58 58 MET HA H 58 3.936 3.936 4.055 -0.119 18231 8969 1 18 . 1 1 58 58 MET C C 58 176.330 176.330 177.541 -1.211 18231 8970 1 18 . 1 1 58 58 MET CA C 58 58.620 58.620 59.262 -0.642 18231 8971 1 18 . 1 1 58 58 MET CB C 58 32.002 32.002 32.194 -0.192 18231 8972 1 18 . 1 1 58 58 MET H H 58 8.426 8.426 8.369 0.057 18231 8973 1 18 . 1 1 59 59 LYS N N 59 116.084 116.084 117.429 -1.345 18231 8974 1 18 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.935 0.001 18231 8975 1 18 . 1 1 59 59 LYS C C 59 176.918 176.918 177.902 -0.984 18231 8976 1 18 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.389 -0.715 18231 8977 1 18 . 1 1 59 59 LYS CB C 59 32.602 32.602 31.954 0.648 18231 8978 1 18 . 1 1 59 59 LYS H H 59 7.623 7.623 7.745 -0.122 18231 8979 1 18 . 1 1 60 60 GLU N N 60 117.227 117.227 118.069 -0.842 18231 8980 1 18 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.071 -0.016 18231 8981 1 18 . 1 1 60 60 GLU C C 60 175.146 175.146 178.312 -3.166 18231 8982 1 18 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.529 -0.498 18231 8983 1 18 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.691 -0.376 18231 8984 1 18 . 1 1 60 60 GLU H H 60 7.592 7.592 7.610 -0.018 18231 8985 1 18 . 1 1 61 61 LEU N N 61 116.051 116.051 117.651 -1.600 18231 8986 1 18 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.157 0.206 18231 8987 1 18 . 1 1 61 61 LEU CA C 61 54.859 54.859 57.047 -2.188 18231 8988 1 18 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.385 1.192 18231 8989 1 18 . 1 1 61 61 LEU H H 61 8.045 8.045 7.360 0.685 18231 8990 1 18 . 1 1 62 62 ASP N N 62 116.891 116.891 118.831 -1.940 18231 8991 1 18 . 1 1 62 62 ASP HA H 62 4.700 4.700 5.000 -0.300 18231 8992 1 18 . 1 1 62 62 ASP C C 62 176.806 176.806 177.639 -0.833 18231 8993 1 18 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.936 -0.820 18231 8994 1 18 . 1 1 62 62 ASP CB C 62 38.651 38.651 38.846 -0.195 18231 8995 1 18 . 1 1 62 62 ASP H H 62 8.008 8.008 8.201 -0.193 18231 8996 1 18 . 1 1 63 63 GLU N N 63 129.185 129.185 126.144 3.041 18231 8997 1 18 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.041 0.013 18231 8998 1 18 . 1 1 63 63 GLU C C 63 175.826 175.826 177.138 -1.312 18231 8999 1 18 . 1 1 63 63 GLU CA C 63 58.318 58.318 59.105 -0.787 18231 9000 1 18 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.880 0.338 18231 9001 1 18 . 1 1 63 63 GLU H H 63 8.347 8.347 8.313 0.034 18231 9002 1 18 . 1 1 64 64 ASN N N 64 112.618 112.618 114.745 -2.127 18231 9003 1 18 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.701 0.047 18231 9004 1 18 . 1 1 64 64 ASN C C 64 176.855 176.855 176.255 0.600 18231 9005 1 18 . 1 1 64 64 ASN CA C 64 51.626 51.626 52.513 -0.887 18231 9006 1 18 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.297 -1.424 18231 9007 1 18 . 1 1 64 64 ASN H H 64 7.978 7.978 7.938 0.040 18231 9008 1 18 . 1 1 65 65 GLY N N 65 109.111 109.111 109.033 0.078 18231 9009 1 18 . 1 1 65 65 GLY C C 65 178.426 178.426 175.087 3.339 18231 9010 1 18 . 1 1 65 65 GLY CA C 65 47.039 47.039 46.243 0.796 18231 9011 1 18 . 1 1 65 65 GLY H H 65 7.543 7.543 7.882 -0.339 18231 9012 1 18 . 1 1 66 66 ASP N N 66 119.205 119.205 119.847 -0.642 18231 9013 1 18 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.397 0.144 18231 9014 1 18 . 1 1 66 66 ASP C C 66 176.015 176.015 177.888 -1.873 18231 9015 1 18 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.571 -1.732 18231 9016 1 18 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.087 -1.211 18231 9017 1 18 . 1 1 66 66 ASP H H 66 8.113 8.113 8.345 -0.232 18231 9018 1 18 . 1 1 67 67 GLY N N 67 113.254 113.254 108.444 4.810 18231 9019 1 18 . 1 1 67 67 GLY C C 67 180.780 180.780 173.594 7.186 18231 9020 1 18 . 1 1 67 67 GLY CA C 67 45.213 45.213 45.003 0.210 18231 9021 1 18 . 1 1 67 67 GLY H H 67 10.267 10.267 8.410 1.857 18231 9022 1 18 . 1 1 68 68 GLU N N 68 116.975 116.975 119.349 -2.374 18231 9023 1 18 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.608 0.202 18231 9024 1 18 . 1 1 68 68 GLU C C 68 178.130 178.130 175.028 3.102 18231 9025 1 18 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.917 -0.787 18231 9026 1 18 . 1 1 68 68 GLU CB C 68 35.752 35.752 32.936 2.816 18231 9027 1 18 . 1 1 68 68 GLU H H 68 7.714 7.714 8.717 -1.003 18231 9028 1 18 . 1 1 69 69 VAL N N 69 125.146 125.146 122.979 2.167 18231 9029 1 18 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.684 0.565 18231 9030 1 18 . 1 1 69 69 VAL C C 69 177.413 177.413 175.347 2.066 18231 9031 1 18 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.094 -0.392 18231 9032 1 18 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.227 0.259 18231 9033 1 18 . 1 1 69 69 VAL H H 69 9.389 9.389 8.060 1.329 18231 9034 1 18 . 1 1 70 70 ASP N N 70 129.202 129.202 125.667 3.535 18231 9035 1 18 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.113 0.056 18231 9036 1 18 . 1 1 70 70 ASP C C 70 178.332 178.332 177.144 1.188 18231 9037 1 18 . 1 1 70 70 ASP CA C 70 52.145 52.145 52.464 -0.319 18231 9038 1 18 . 1 1 70 70 ASP CB C 70 41.097 41.097 43.648 -2.551 18231 9039 1 18 . 1 1 70 70 ASP H H 70 9.109 9.109 8.379 0.730 18231 9040 1 18 . 1 1 71 71 PHE N N 71 118.298 118.298 123.540 -5.242 18231 9041 1 18 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.435 -0.508 18231 9042 1 18 . 1 1 71 71 PHE C C 71 176.763 176.763 176.665 0.098 18231 9043 1 18 . 1 1 71 71 PHE CA C 71 63.051 63.051 62.011 1.040 18231 9044 1 18 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.946 0.043 18231 9045 1 18 . 1 1 71 71 PHE H H 71 8.938 8.938 8.662 0.276 18231 9046 1 18 . 1 1 72 72 GLN N N 72 116.762 116.762 117.876 -1.114 18231 9047 1 18 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.802 -0.108 18231 9048 1 18 . 1 1 72 72 GLN C C 72 175.208 175.208 178.228 -3.020 18231 9049 1 18 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.831 -0.612 18231 9050 1 18 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.023 -0.217 18231 9051 1 18 . 1 1 72 72 GLN H H 72 7.997 7.997 8.774 -0.777 18231 9052 1 18 . 1 1 73 73 GLU N N 73 120.146 120.146 119.955 0.191 18231 9053 1 18 . 1 1 73 73 GLU HA H 73 4.096 4.096 4.001 0.095 18231 9054 1 18 . 1 1 73 73 GLU C C 73 174.746 174.746 178.857 -4.111 18231 9055 1 18 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.281 -1.177 18231 9056 1 18 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.601 0.245 18231 9057 1 18 . 1 1 73 73 GLU H H 73 8.289 8.289 7.535 0.754 18231 9058 1 18 . 1 1 74 74 TYR N N 74 121.506 121.506 121.220 0.286 18231 9059 1 18 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.123 -0.010 18231 9060 1 18 . 1 1 74 74 TYR C C 74 176.925 176.925 177.613 -0.688 18231 9061 1 18 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.775 -2.674 18231 9062 1 18 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.882 -1.510 18231 9063 1 18 . 1 1 74 74 TYR H H 74 8.324 8.324 8.515 -0.191 18231 9064 1 18 . 1 1 75 75 VAL N N 75 120.725 120.725 115.982 4.743 18231 9065 1 18 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.283 -0.410 18231 9066 1 18 . 1 1 75 75 VAL C C 75 176.738 176.738 177.148 -0.410 18231 9067 1 18 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.084 -0.204 18231 9068 1 18 . 1 1 75 75 VAL CB C 75 31.000 31.000 31.059 -0.059 18231 9069 1 18 . 1 1 75 75 VAL H H 75 8.074 8.074 8.185 -0.111 18231 9070 1 18 . 1 1 76 76 VAL N N 76 120.118 120.118 120.791 -0.673 18231 9071 1 18 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.576 -0.156 18231 9072 1 18 . 1 1 76 76 VAL C C 76 174.620 174.620 178.195 -3.575 18231 9073 1 18 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.049 0.360 18231 9074 1 18 . 1 1 76 76 VAL CB C 76 30.776 30.776 30.804 -0.028 18231 9075 1 18 . 1 1 76 76 VAL H H 76 7.119 7.119 7.403 -0.284 18231 9076 1 18 . 1 1 77 77 LEU N N 77 120.709 120.709 120.843 -0.134 18231 9077 1 18 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.004 0.026 18231 9078 1 18 . 1 1 77 77 LEU C C 77 175.943 175.943 178.505 -2.562 18231 9079 1 18 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.158 -1.218 18231 9080 1 18 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.815 -0.707 18231 9081 1 18 . 1 1 77 77 LEU H H 77 6.865 6.865 7.941 -1.076 18231 9082 1 18 . 1 1 78 78 VAL N N 78 116.930 116.930 116.365 0.565 18231 9083 1 18 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.704 -0.564 18231 9084 1 18 . 1 1 78 78 VAL C C 78 174.150 174.150 177.366 -3.216 18231 9085 1 18 . 1 1 78 78 VAL CA C 78 66.378 66.378 64.392 1.986 18231 9086 1 18 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.317 -0.088 18231 9087 1 18 . 1 1 78 78 VAL H H 78 7.539 7.539 7.876 -0.337 18231 9088 1 18 . 1 1 79 79 ALA N N 79 124.551 124.551 122.771 1.780 18231 9089 1 18 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.916 -0.224 18231 9090 1 18 . 1 1 79 79 ALA C C 79 175.111 175.111 179.253 -4.142 18231 9091 1 18 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.266 0.226 18231 9092 1 18 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.830 -0.367 18231 9093 1 18 . 1 1 79 79 ALA H H 79 8.918 8.918 8.185 0.733 18231 9094 1 18 . 1 1 80 80 ALA N N 80 120.223 120.223 120.549 -0.326 18231 9095 1 18 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.036 0.029 18231 9096 1 18 . 1 1 80 80 ALA C C 80 171.473 171.473 179.073 -7.600 18231 9097 1 18 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.445 0.481 18231 9098 1 18 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.547 -1.121 18231 9099 1 18 . 1 1 80 80 ALA H H 80 7.760 7.760 7.527 0.233 18231 9100 1 18 . 1 1 81 81 LEU N N 81 119.090 119.090 119.810 -0.720 18231 9101 1 18 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.968 0.120 18231 9102 1 18 . 1 1 81 81 LEU C C 81 174.008 174.008 178.536 -4.528 18231 9103 1 18 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.767 -0.111 18231 9104 1 18 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.670 0.561 18231 9105 1 18 . 1 1 81 81 LEU H H 81 8.542 8.542 7.994 0.548 18231 9106 1 18 . 1 1 82 82 THR N N 82 119.585 119.585 112.224 7.361 18231 9107 1 18 . 1 1 82 82 THR HA H 82 4.332 4.332 3.992 0.340 18231 9108 1 18 . 1 1 82 82 THR C C 82 176.758 176.758 176.561 0.197 18231 9109 1 18 . 1 1 82 82 THR CA C 82 67.286 67.286 65.659 1.627 18231 9110 1 18 . 1 1 82 82 THR CB C 82 68.127 68.127 68.567 -0.440 18231 9111 1 18 . 1 1 82 82 THR H H 82 8.421 8.421 8.076 0.345 18231 9112 1 18 . 1 1 83 83 VAL N N 83 121.934 121.934 121.775 0.159 18231 9113 1 18 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.672 0.043 18231 9114 1 18 . 1 1 83 83 VAL C C 83 175.556 175.556 177.724 -2.168 18231 9115 1 18 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.002 0.901 18231 9116 1 18 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.143 0.403 18231 9117 1 18 . 1 1 83 83 VAL H H 83 8.077 8.077 7.263 0.814 18231 9118 1 18 . 1 1 84 84 ALA N N 84 121.367 121.367 122.177 -0.810 18231 9119 1 18 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.082 0.119 18231 9120 1 18 . 1 1 84 84 ALA C C 84 173.936 173.936 179.530 -5.594 18231 9121 1 18 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.124 0.156 18231 9122 1 18 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.844 -0.237 18231 9123 1 18 . 1 1 84 84 ALA H H 84 7.835 7.835 8.160 -0.325 18231 9124 1 18 . 1 1 85 85 CYS N N 85 116.731 116.731 116.365 0.366 18231 9125 1 18 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.014 0.223 18231 9126 1 18 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.488 -7.837 18231 9127 1 18 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.426 11.544 18231 9128 1 18 . 1 1 85 85 CYS H H 85 8.244 8.244 7.964 0.280 18231 9129 1 18 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.547 -0.164 18231 9130 1 18 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.316 -1.337 18231 9131 1 18 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.416 2.075 18231 9132 1 18 . 1 1 87 87 ASN N N 87 120.372 120.372 118.783 1.589 18231 9133 1 18 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.543 -0.146 18231 9134 1 18 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.679 -0.710 18231 9135 1 18 . 1 1 87 87 ASN CB C 87 37.388 37.388 37.937 -0.549 18231 9136 1 18 . 1 1 87 87 ASN H H 87 7.539 7.539 7.642 -0.103 18231 9137 1 18 . 1 1 88 88 PHE N N 88 118.684 118.684 121.042 -2.358 18231 9138 1 18 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.305 0.067 18231 9139 1 18 . 1 1 88 88 PHE C C 88 177.050 177.050 177.180 -0.130 18231 9140 1 18 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.902 -2.529 18231 9141 1 18 . 1 1 88 88 PHE CB C 88 39.019 39.019 39.244 -0.225 18231 9142 1 18 . 1 1 88 88 PHE H H 88 7.862 7.862 8.429 -0.567 18231 9143 1 18 . 1 1 89 89 PHE N N 89 118.515 118.515 118.550 -0.035 18231 9144 1 18 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.152 0.136 18231 9145 1 18 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.645 -2.387 18231 9146 1 18 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.932 0.300 18231 9147 1 18 . 1 1 89 89 PHE H H 89 7.898 7.898 7.722 0.176 18231 9148 1 18 . 1 1 90 90 TRP N N 90 118.964 118.964 119.943 -0.979 18231 9149 1 18 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.388 0.097 18231 9150 1 18 . 1 1 90 90 TRP C C 90 174.481 174.481 176.482 -2.001 18231 9151 1 18 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.460 -2.089 18231 9152 1 18 . 1 1 90 90 TRP CB C 90 29.276 29.276 30.113 -0.837 18231 9153 1 18 . 1 1 90 90 TRP H H 90 7.773 7.773 7.497 0.276 18231 9154 1 18 . 1 1 91 91 GLU N N 91 120.150 120.150 116.152 3.998 18231 9155 1 18 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.032 0.025 18231 9156 1 18 . 1 1 91 91 GLU CA C 91 57.977 57.977 56.332 1.645 18231 9157 1 18 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.394 0.700 18231 9158 1 18 . 1 1 91 91 GLU H H 91 7.812 7.812 7.997 -0.185 18231 9159 1 18 . 1 1 92 92 ASN HA H 92 4.668 4.668 3.173 1.495 18231 9160 1 18 . 1 1 92 92 ASN C C 92 175.577 175.577 174.394 1.183 18231 9161 1 18 . 1 1 92 92 ASN CA C 92 52.806 52.806 53.511 -0.705 18231 9162 1 18 . 1 1 92 92 ASN CB C 92 38.795 38.795 36.938 1.857 18231 9163 1 19 . 1 1 2 2 SER N N 2 118.234 118.234 117.752 0.482 18231 9164 1 19 . 1 1 2 2 SER HA H 2 4.750 4.750 4.414 0.336 18231 9165 1 19 . 1 1 2 2 SER C C 2 178.105 178.105 175.573 2.532 18231 9166 1 19 . 1 1 2 2 SER CA C 2 57.133 57.133 57.556 -0.423 18231 9167 1 19 . 1 1 2 2 SER CB C 2 64.624 64.624 64.662 -0.037 18231 9168 1 19 . 1 1 2 2 SER H H 2 9.007 9.007 8.222 0.785 18231 9169 1 19 . 1 1 3 3 GLU N N 3 123.466 123.466 120.742 2.724 18231 9170 1 19 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.078 0.061 18231 9171 1 19 . 1 1 3 3 GLU C C 3 173.854 173.854 178.688 -4.834 18231 9172 1 19 . 1 1 3 3 GLU CA C 3 60.110 60.110 59.115 0.995 18231 9173 1 19 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.511 -0.611 18231 9174 1 19 . 1 1 3 3 GLU H H 3 9.436 9.436 8.793 0.643 18231 9175 1 19 . 1 1 4 4 LEU N N 4 119.878 119.878 118.614 1.264 18231 9176 1 19 . 1 1 4 4 LEU HA H 4 4.086 4.086 3.969 0.117 18231 9177 1 19 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.584 0.325 18231 9178 1 19 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.577 -0.172 18231 9179 1 19 . 1 1 4 4 LEU H H 4 8.891 8.891 7.625 1.266 18231 9180 1 19 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.070 -0.059 18231 9181 1 19 . 1 1 5 5 GLU C C 5 173.709 173.709 179.056 -5.347 18231 9182 1 19 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.513 0.083 18231 9183 1 19 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.133 -0.078 18231 9184 1 19 . 1 1 6 6 THR N N 6 116.614 116.614 116.641 -0.027 18231 9185 1 19 . 1 1 6 6 THR HA H 6 4.019 4.019 3.998 0.021 18231 9186 1 19 . 1 1 6 6 THR C C 6 176.965 176.965 176.213 0.752 18231 9187 1 19 . 1 1 6 6 THR CA C 6 66.175 66.175 66.677 -0.502 18231 9188 1 19 . 1 1 6 6 THR CB C 6 68.280 68.280 68.631 -0.351 18231 9189 1 19 . 1 1 6 6 THR H H 6 8.316 8.316 7.512 0.804 18231 9190 1 19 . 1 1 7 7 ALA N N 7 126.118 126.118 124.555 1.563 18231 9191 1 19 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.112 0.024 18231 9192 1 19 . 1 1 7 7 ALA C C 7 173.544 173.544 179.559 -6.015 18231 9193 1 19 . 1 1 7 7 ALA CA C 7 54.838 54.838 55.054 -0.216 18231 9194 1 19 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.209 -0.759 18231 9195 1 19 . 1 1 7 7 ALA H H 7 8.167 8.167 7.543 0.624 18231 9196 1 19 . 1 1 8 8 MET N N 8 117.610 117.610 117.049 0.561 18231 9197 1 19 . 1 1 8 8 MET HA H 8 4.174 4.174 4.056 0.118 18231 9198 1 19 . 1 1 8 8 MET C C 8 175.513 175.513 178.777 -3.264 18231 9199 1 19 . 1 1 8 8 MET CA C 8 61.988 61.988 59.468 2.520 18231 9200 1 19 . 1 1 8 8 MET CB C 8 26.277 26.277 32.576 -6.299 18231 9201 1 19 . 1 1 8 8 MET H H 8 8.286 8.286 7.577 0.709 18231 9202 1 19 . 1 1 9 9 GLU N N 9 117.751 117.751 119.182 -1.431 18231 9203 1 19 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.057 -0.137 18231 9204 1 19 . 1 1 9 9 GLU C C 9 174.479 174.479 179.028 -4.549 18231 9205 1 19 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.500 -0.081 18231 9206 1 19 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.618 -0.604 18231 9207 1 19 . 1 1 9 9 GLU H H 9 8.055 8.055 8.062 -0.007 18231 9208 1 19 . 1 1 10 10 THR N N 10 117.936 117.936 114.978 2.958 18231 9209 1 19 . 1 1 10 10 THR HA H 10 4.083 4.083 4.076 0.007 18231 9210 1 19 . 1 1 10 10 THR C C 10 177.781 177.781 176.682 1.099 18231 9211 1 19 . 1 1 10 10 THR CA C 10 66.869 66.869 66.468 0.401 18231 9212 1 19 . 1 1 10 10 THR CB C 10 67.663 67.663 68.715 -1.052 18231 9213 1 19 . 1 1 10 10 THR H H 10 8.398 8.398 8.300 0.098 18231 9214 1 19 . 1 1 11 11 LEU N N 11 119.632 119.632 122.135 -2.503 18231 9215 1 19 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.302 -0.346 18231 9216 1 19 . 1 1 11 11 LEU CA C 11 58.868 58.868 59.176 -0.308 18231 9217 1 19 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.688 -0.091 18231 9218 1 19 . 1 1 11 11 LEU H H 11 8.134 8.134 7.548 0.586 18231 9219 1 19 . 1 1 12 12 ILE N N 12 119.532 119.532 119.787 -0.255 18231 9220 1 19 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.312 0.656 18231 9221 1 19 . 1 1 12 12 ILE C C 12 175.378 175.378 178.060 -2.682 18231 9222 1 19 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.536 -0.164 18231 9223 1 19 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.319 1.613 18231 9224 1 19 . 1 1 12 12 ILE H H 12 7.751 7.751 7.658 0.093 18231 9225 1 19 . 1 1 13 13 ASN N N 13 121.617 121.617 118.724 2.893 18231 9226 1 19 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.479 0.048 18231 9227 1 19 . 1 1 13 13 ASN C C 13 174.457 174.457 177.697 -3.240 18231 9228 1 19 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.315 -0.254 18231 9229 1 19 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.404 -0.747 18231 9230 1 19 . 1 1 13 13 ASN H H 13 9.012 9.012 8.350 0.662 18231 9231 1 19 . 1 1 14 14 VAL N N 14 120.538 120.538 117.328 3.210 18231 9232 1 19 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.763 0.052 18231 9233 1 19 . 1 1 14 14 VAL C C 14 176.194 176.194 177.697 -1.503 18231 9234 1 19 . 1 1 14 14 VAL CA C 14 66.080 66.080 66.327 -0.247 18231 9235 1 19 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.529 0.042 18231 9236 1 19 . 1 1 14 14 VAL H H 14 8.951 8.951 8.256 0.695 18231 9237 1 19 . 1 1 15 15 PHE N N 15 117.397 117.397 122.759 -5.362 18231 9238 1 19 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.148 -0.679 18231 9239 1 19 . 1 1 15 15 PHE C C 15 176.028 176.028 177.189 -1.161 18231 9240 1 19 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.490 -0.327 18231 9241 1 19 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.066 -0.131 18231 9242 1 19 . 1 1 15 15 PHE H H 15 6.953 6.953 8.541 -1.588 18231 9243 1 19 . 1 1 16 16 HIS N N 16 115.032 115.032 120.402 -5.370 18231 9244 1 19 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.098 0.738 18231 9245 1 19 . 1 1 16 16 HIS C C 16 176.028 176.028 177.194 -1.166 18231 9246 1 19 . 1 1 16 16 HIS CA C 16 58.017 58.017 58.399 -0.382 18231 9247 1 19 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.495 -1.214 18231 9248 1 19 . 1 1 16 16 HIS H H 16 7.736 7.736 8.733 -0.997 18231 9249 1 19 . 1 1 17 17 ALA N N 17 123.252 123.252 121.235 2.017 18231 9250 1 19 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.572 0.476 18231 9251 1 19 . 1 1 17 17 ALA C C 17 174.507 174.507 179.626 -5.119 18231 9252 1 19 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.773 -1.078 18231 9253 1 19 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.839 -0.485 18231 9254 1 19 . 1 1 17 17 ALA H H 17 8.070 8.070 8.015 0.055 18231 9255 1 19 . 1 1 18 18 HIS N N 18 113.812 113.812 116.913 -3.101 18231 9256 1 19 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.193 0.197 18231 9257 1 19 . 1 1 18 18 HIS C C 18 177.747 177.747 178.609 -0.862 18231 9258 1 19 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.093 -2.158 18231 9259 1 19 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.656 2.484 18231 9260 1 19 . 1 1 18 18 HIS H H 18 7.043 7.043 8.284 -1.241 18231 9261 1 19 . 1 1 19 19 SER N N 19 113.634 113.634 115.370 -1.736 18231 9262 1 19 . 1 1 19 19 SER HA H 19 3.673 3.673 4.333 -0.660 18231 9263 1 19 . 1 1 19 19 SER C C 19 176.511 176.511 176.875 -0.364 18231 9264 1 19 . 1 1 19 19 SER CA C 19 60.926 60.926 60.784 0.142 18231 9265 1 19 . 1 1 19 19 SER CB C 19 60.919 60.919 62.581 -1.662 18231 9266 1 19 . 1 1 19 19 SER H H 19 8.489 8.489 8.206 0.283 18231 9267 1 19 . 1 1 20 20 GLY N N 20 111.572 111.572 108.503 3.069 18231 9268 1 19 . 1 1 20 20 GLY C C 20 179.798 179.798 175.672 4.126 18231 9269 1 19 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.394 -1.302 18231 9270 1 19 . 1 1 20 20 GLY H H 20 7.734 7.734 8.329 -0.595 18231 9271 1 19 . 1 1 21 21 LYS N N 21 122.204 122.204 121.303 0.901 18231 9272 1 19 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.071 -0.147 18231 9273 1 19 . 1 1 21 21 LYS C C 21 176.162 176.162 176.900 -0.738 18231 9274 1 19 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.760 0.336 18231 9275 1 19 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.719 -0.819 18231 9276 1 19 . 1 1 21 21 LYS H H 21 7.196 7.196 7.608 -0.412 18231 9277 1 19 . 1 1 22 22 GLU N N 22 115.840 115.840 117.928 -2.088 18231 9278 1 19 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.549 0.118 18231 9279 1 19 . 1 1 22 22 GLU C C 22 176.511 176.511 175.975 0.536 18231 9280 1 19 . 1 1 22 22 GLU CA C 22 53.781 53.781 54.663 -0.882 18231 9281 1 19 . 1 1 22 22 GLU CB C 22 32.641 32.641 28.752 3.889 18231 9282 1 19 . 1 1 22 22 GLU H H 22 9.363 9.363 7.697 1.666 18231 9283 1 19 . 1 1 23 23 GLY N N 23 111.558 111.558 110.325 1.233 18231 9284 1 19 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.522 -0.021 18231 9285 1 19 . 1 1 23 23 GLY H H 23 7.710 7.710 8.046 -0.336 18231 9286 1 19 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.411 -0.003 18231 9287 1 19 . 1 1 24 24 ASP C C 24 173.495 173.495 177.116 -3.621 18231 9288 1 19 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.866 -0.149 18231 9289 1 19 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.558 2.502 18231 9290 1 19 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.948 0.339 18231 9291 1 19 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.222 -1.693 18231 9292 1 19 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.400 -1.491 18231 9293 1 19 . 1 1 26 26 TYR N N 26 119.467 119.467 115.232 4.235 18231 9294 1 19 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.509 0.202 18231 9295 1 19 . 1 1 26 26 TYR C C 26 179.682 179.682 176.097 3.585 18231 9296 1 19 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.691 -3.867 18231 9297 1 19 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.421 -0.750 18231 9298 1 19 . 1 1 26 26 TYR H H 26 9.377 9.377 8.297 1.080 18231 9299 1 19 . 1 1 27 27 LYS N N 27 114.770 114.770 118.210 -3.440 18231 9300 1 19 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.673 0.449 18231 9301 1 19 . 1 1 27 27 LYS C C 27 178.721 178.721 174.880 3.841 18231 9302 1 19 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.710 0.017 18231 9303 1 19 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.514 2.975 18231 9304 1 19 . 1 1 27 27 LYS H H 27 7.100 7.100 7.734 -0.634 18231 9305 1 19 . 1 1 28 28 LEU N N 28 125.858 125.858 126.783 -0.925 18231 9306 1 19 . 1 1 28 28 LEU HA H 28 5.183 5.183 5.177 0.006 18231 9307 1 19 . 1 1 28 28 LEU C C 28 177.490 177.490 175.707 1.783 18231 9308 1 19 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.584 -1.250 18231 9309 1 19 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.703 -2.117 18231 9310 1 19 . 1 1 28 28 LEU H H 28 9.750 9.750 8.416 1.334 18231 9311 1 19 . 1 1 29 29 SER N N 29 120.926 120.926 120.843 0.083 18231 9312 1 19 . 1 1 29 29 SER HA H 29 4.560 4.560 4.791 -0.231 18231 9313 1 19 . 1 1 29 29 SER C C 29 178.943 178.943 175.171 3.772 18231 9314 1 19 . 1 1 29 29 SER CA C 29 55.907 55.907 56.982 -1.075 18231 9315 1 19 . 1 1 29 29 SER CB C 29 65.035 65.035 65.430 -0.395 18231 9316 1 19 . 1 1 29 29 SER H H 29 9.907 9.907 8.577 1.330 18231 9317 1 19 . 1 1 30 30 LYS N N 30 120.263 120.263 124.974 -4.711 18231 9318 1 19 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.863 -0.012 18231 9319 1 19 . 1 1 30 30 LYS C C 30 175.519 175.519 178.289 -2.770 18231 9320 1 19 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.695 -0.035 18231 9321 1 19 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.147 -0.409 18231 9322 1 19 . 1 1 30 30 LYS H H 30 8.838 8.838 8.945 -0.107 18231 9323 1 19 . 1 1 31 31 LYS N N 31 118.292 118.292 117.423 0.869 18231 9324 1 19 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.009 -0.087 18231 9325 1 19 . 1 1 31 31 LYS C C 31 174.664 174.664 178.998 -4.334 18231 9326 1 19 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.749 -0.451 18231 9327 1 19 . 1 1 31 31 LYS CB C 31 32.665 32.665 31.984 0.681 18231 9328 1 19 . 1 1 31 31 LYS H H 31 7.903 7.903 8.449 -0.546 18231 9329 1 19 . 1 1 32 32 GLU N N 32 119.243 119.243 119.175 0.068 18231 9330 1 19 . 1 1 32 32 GLU HA H 32 3.907 3.907 3.998 -0.091 18231 9331 1 19 . 1 1 32 32 GLU C C 32 174.836 174.836 178.947 -4.111 18231 9332 1 19 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.193 -0.877 18231 9333 1 19 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.609 1.268 18231 9334 1 19 . 1 1 32 32 GLU H H 32 7.499 7.499 7.413 0.086 18231 9335 1 19 . 1 1 33 33 LEU N N 33 119.432 119.432 119.228 0.204 18231 9336 1 19 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.060 -0.142 18231 9337 1 19 . 1 1 33 33 LEU C C 33 175.740 175.740 177.925 -2.185 18231 9338 1 19 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.130 0.139 18231 9339 1 19 . 1 1 33 33 LEU CB C 33 40.981 40.981 40.929 0.052 18231 9340 1 19 . 1 1 33 33 LEU H H 33 9.062 9.062 8.267 0.795 18231 9341 1 19 . 1 1 34 34 LYS N N 34 119.090 119.090 120.669 -1.579 18231 9342 1 19 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.819 -0.165 18231 9343 1 19 . 1 1 34 34 LYS C C 34 175.916 175.916 178.302 -2.386 18231 9344 1 19 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.248 0.036 18231 9345 1 19 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.075 -0.675 18231 9346 1 19 . 1 1 34 34 LYS H H 34 8.236 8.236 8.572 -0.336 18231 9347 1 19 . 1 1 35 35 GLU N N 35 117.482 117.482 119.155 -1.673 18231 9348 1 19 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.999 -0.002 18231 9349 1 19 . 1 1 35 35 GLU C C 35 174.549 174.549 178.460 -3.911 18231 9350 1 19 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.512 -0.283 18231 9351 1 19 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.378 -0.545 18231 9352 1 19 . 1 1 35 35 GLU H H 35 7.734 7.734 7.609 0.125 18231 9353 1 19 . 1 1 36 36 LEU N N 36 124.601 124.601 119.331 5.270 18231 9354 1 19 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.825 -1.137 18231 9355 1 19 . 1 1 36 36 LEU C C 36 174.780 174.780 179.010 -4.230 18231 9356 1 19 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.822 1.505 18231 9357 1 19 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.020 0.615 18231 9358 1 19 . 1 1 36 36 LEU H H 36 8.308 8.308 7.163 1.145 18231 9359 1 19 . 1 1 37 37 LEU N N 37 118.901 118.901 118.864 0.037 18231 9360 1 19 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.973 -0.240 18231 9361 1 19 . 1 1 37 37 LEU C C 37 174.771 174.771 179.491 -4.720 18231 9362 1 19 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.938 -0.026 18231 9363 1 19 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.240 0.045 18231 9364 1 19 . 1 1 37 37 LEU H H 37 8.663 8.663 8.223 0.440 18231 9365 1 19 . 1 1 38 38 GLN N N 38 114.582 114.582 118.216 -3.634 18231 9366 1 19 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.003 -0.046 18231 9367 1 19 . 1 1 38 38 GLN C C 38 175.747 175.747 177.768 -2.021 18231 9368 1 19 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.925 -0.754 18231 9369 1 19 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.887 -0.258 18231 9370 1 19 . 1 1 38 38 GLN H H 38 8.507 8.507 8.139 0.368 18231 9371 1 19 . 1 1 39 39 THR N N 39 110.227 110.227 113.850 -3.623 18231 9372 1 19 . 1 1 39 39 THR HA H 39 4.252 4.252 3.849 0.403 18231 9373 1 19 . 1 1 39 39 THR C C 39 176.966 176.966 176.125 0.841 18231 9374 1 19 . 1 1 39 39 THR CA C 39 64.485 64.485 65.595 -1.110 18231 9375 1 19 . 1 1 39 39 THR CB C 39 69.254 69.254 68.886 0.368 18231 9376 1 19 . 1 1 39 39 THR H H 39 7.845 7.845 7.866 -0.021 18231 9377 1 19 . 1 1 40 40 GLU N N 40 117.400 117.400 119.466 -2.066 18231 9378 1 19 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.149 0.001 18231 9379 1 19 . 1 1 40 40 GLU C C 40 177.343 177.343 177.006 0.337 18231 9380 1 19 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.357 -1.788 18231 9381 1 19 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.181 -0.600 18231 9382 1 19 . 1 1 40 40 GLU H H 40 8.460 8.460 7.970 0.490 18231 9383 1 19 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.609 0.418 18231 9384 1 19 . 1 1 41 41 LEU C C 41 176.458 176.458 177.968 -1.510 18231 9385 1 19 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.998 -1.563 18231 9386 1 19 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.577 0.730 18231 9387 1 19 . 1 1 42 42 SER N N 42 116.528 116.528 120.503 -3.975 18231 9388 1 19 . 1 1 42 42 SER HA H 42 4.062 4.062 4.457 -0.395 18231 9389 1 19 . 1 1 42 42 SER CA C 42 61.213 61.213 61.114 0.099 18231 9390 1 19 . 1 1 42 42 SER CB C 42 62.378 62.378 62.891 -0.513 18231 9391 1 19 . 1 1 42 42 SER H H 42 8.246 8.246 9.044 -0.798 18231 9392 1 19 . 1 1 43 43 GLY N N 43 111.367 111.367 108.642 2.725 18231 9393 1 19 . 1 1 43 43 GLY C C 43 177.750 177.750 175.901 1.849 18231 9394 1 19 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.389 -0.651 18231 9395 1 19 . 1 1 43 43 GLY H H 43 8.850 8.850 8.642 0.208 18231 9396 1 19 . 1 1 44 44 PHE N N 44 122.213 122.213 121.786 0.427 18231 9397 1 19 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.114 0.249 18231 9398 1 19 . 1 1 44 44 PHE C C 44 176.428 176.428 177.204 -0.776 18231 9399 1 19 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.384 0.129 18231 9400 1 19 . 1 1 44 44 PHE CB C 44 39.332 39.332 37.992 1.340 18231 9401 1 19 . 1 1 44 44 PHE H H 44 7.936 7.936 8.049 -0.113 18231 9402 1 19 . 1 1 45 45 LEU N N 45 119.395 119.395 120.497 -1.102 18231 9403 1 19 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.411 0.620 18231 9404 1 19 . 1 1 45 45 LEU C C 45 177.212 177.212 178.418 -1.206 18231 9405 1 19 . 1 1 45 45 LEU CA C 45 57.368 57.368 56.921 0.447 18231 9406 1 19 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.853 -0.812 18231 9407 1 19 . 1 1 45 45 LEU H H 45 8.133 8.133 6.695 1.438 18231 9408 1 19 . 1 1 46 46 ASP N N 46 117.384 117.384 115.588 1.796 18231 9409 1 19 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.622 -0.240 18231 9410 1 19 . 1 1 46 46 ASP C C 46 176.684 176.684 176.822 -0.138 18231 9411 1 19 . 1 1 46 46 ASP CA C 46 55.312 55.312 54.198 1.114 18231 9412 1 19 . 1 1 46 46 ASP CB C 46 40.540 40.540 40.554 -0.014 18231 9413 1 19 . 1 1 46 46 ASP H H 46 8.139 8.139 8.109 0.030 18231 9414 1 19 . 1 1 47 47 ALA N N 47 121.052 121.052 122.521 -1.469 18231 9415 1 19 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.405 -0.241 18231 9416 1 19 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.487 -1.942 18231 9417 1 19 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.597 -0.248 18231 9418 1 19 . 1 1 47 47 ALA H H 47 7.637 7.637 7.640 -0.003 18231 9419 1 19 . 1 1 48 48 GLN N N 48 116.271 116.271 116.794 -0.523 18231 9420 1 19 . 1 1 48 48 GLN HA H 48 4.140 4.140 3.951 0.189 18231 9421 1 19 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.397 -3.418 18231 9422 1 19 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.330 -0.259 18231 9423 1 19 . 1 1 48 48 GLN H H 48 7.661 7.661 8.421 -0.760 18231 9424 1 19 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.059 0.070 18231 9425 1 19 . 1 1 49 49 LYS C C 49 177.345 177.345 177.998 -0.653 18231 9426 1 19 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.913 -2.666 18231 9427 1 19 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.563 -0.783 18231 9428 1 19 . 1 1 50 50 ASP N N 50 118.526 118.526 116.441 2.085 18231 9429 1 19 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.691 -0.034 18231 9430 1 19 . 1 1 50 50 ASP C C 50 177.422 177.422 177.667 -0.245 18231 9431 1 19 . 1 1 50 50 ASP CA C 50 53.834 53.834 53.114 0.720 18231 9432 1 19 . 1 1 50 50 ASP CB C 50 41.689 41.689 40.445 1.244 18231 9433 1 19 . 1 1 50 50 ASP H H 50 7.975 7.975 7.750 0.225 18231 9434 1 19 . 1 1 51 51 VAL N N 51 120.868 120.868 121.836 -0.968 18231 9435 1 19 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.708 0.272 18231 9436 1 19 . 1 1 51 51 VAL C C 51 177.212 177.212 176.859 0.353 18231 9437 1 19 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.888 -2.539 18231 9438 1 19 . 1 1 51 51 VAL CB C 51 31.736 31.736 31.833 -0.097 18231 9439 1 19 . 1 1 51 51 VAL H H 51 8.225 8.225 7.305 0.920 18231 9440 1 19 . 1 1 52 52 ASP N N 52 121.054 121.054 120.008 1.046 18231 9441 1 19 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.328 0.450 18231 9442 1 19 . 1 1 52 52 ASP C C 52 176.912 176.912 178.156 -1.244 18231 9443 1 19 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.276 -3.887 18231 9444 1 19 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.943 0.129 18231 9445 1 19 . 1 1 52 52 ASP H H 52 8.403 8.403 8.593 -0.190 18231 9446 1 19 . 1 1 53 53 ALA N N 53 123.449 123.449 122.122 1.327 18231 9447 1 19 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.111 -0.174 18231 9448 1 19 . 1 1 53 53 ALA C C 53 174.124 174.124 179.388 -5.264 18231 9449 1 19 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.839 0.124 18231 9450 1 19 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.223 0.650 18231 9451 1 19 . 1 1 53 53 ALA H H 53 7.757 7.757 8.013 -0.256 18231 9452 1 19 . 1 1 54 54 VAL N N 54 116.105 116.105 114.455 1.650 18231 9453 1 19 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.617 -0.159 18231 9454 1 19 . 1 1 54 54 VAL C C 54 176.953 176.953 177.239 -0.286 18231 9455 1 19 . 1 1 54 54 VAL CA C 54 65.895 65.895 65.994 -0.099 18231 9456 1 19 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.437 -0.857 18231 9457 1 19 . 1 1 54 54 VAL H H 54 8.281 8.281 7.920 0.361 18231 9458 1 19 . 1 1 55 55 ASP N N 55 120.466 120.466 120.939 -0.473 18231 9459 1 19 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.367 -0.202 18231 9460 1 19 . 1 1 55 55 ASP C C 55 174.997 174.997 178.619 -3.622 18231 9461 1 19 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.512 -0.312 18231 9462 1 19 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.202 0.318 18231 9463 1 19 . 1 1 55 55 ASP H H 55 7.667 7.667 8.311 -0.644 18231 9464 1 19 . 1 1 56 56 LYS N N 56 119.065 119.065 119.769 -0.704 18231 9465 1 19 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.148 -0.169 18231 9466 1 19 . 1 1 56 56 LYS C C 56 174.602 174.602 178.807 -4.205 18231 9467 1 19 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.079 -0.534 18231 9468 1 19 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.271 -0.671 18231 9469 1 19 . 1 1 56 56 LYS H H 56 7.628 7.628 7.388 0.240 18231 9470 1 19 . 1 1 57 57 VAL N N 57 119.756 119.756 121.205 -1.449 18231 9471 1 19 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.673 0.054 18231 9472 1 19 . 1 1 57 57 VAL C C 57 175.782 175.782 178.056 -2.274 18231 9473 1 19 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.381 -0.782 18231 9474 1 19 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.775 -0.528 18231 9475 1 19 . 1 1 57 57 VAL H H 57 7.920 7.920 8.162 -0.242 18231 9476 1 19 . 1 1 58 58 MET N N 58 118.541 118.541 119.560 -1.019 18231 9477 1 19 . 1 1 58 58 MET HA H 58 3.936 3.936 4.129 -0.193 18231 9478 1 19 . 1 1 58 58 MET C C 58 176.330 176.330 177.233 -0.903 18231 9479 1 19 . 1 1 58 58 MET CA C 58 58.620 58.620 57.789 0.831 18231 9480 1 19 . 1 1 58 58 MET CB C 58 32.002 32.002 31.782 0.220 18231 9481 1 19 . 1 1 58 58 MET H H 58 8.426 8.426 8.462 -0.036 18231 9482 1 19 . 1 1 59 59 LYS N N 59 116.084 116.084 119.391 -3.307 18231 9483 1 19 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.959 -0.023 18231 9484 1 19 . 1 1 59 59 LYS C C 59 176.918 176.918 178.529 -1.611 18231 9485 1 19 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.569 -0.895 18231 9486 1 19 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.235 0.367 18231 9487 1 19 . 1 1 59 59 LYS H H 59 7.623 7.623 7.480 0.143 18231 9488 1 19 . 1 1 60 60 GLU N N 60 117.227 117.227 116.982 0.245 18231 9489 1 19 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.130 -0.075 18231 9490 1 19 . 1 1 60 60 GLU C C 60 175.146 175.146 178.222 -3.076 18231 9491 1 19 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.471 -0.440 18231 9492 1 19 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.890 -0.575 18231 9493 1 19 . 1 1 60 60 GLU H H 60 7.592 7.592 7.593 -0.001 18231 9494 1 19 . 1 1 61 61 LEU N N 61 116.051 116.051 118.931 -2.880 18231 9495 1 19 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.158 0.205 18231 9496 1 19 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.591 -1.732 18231 9497 1 19 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.873 0.704 18231 9498 1 19 . 1 1 61 61 LEU H H 61 8.045 8.045 7.535 0.510 18231 9499 1 19 . 1 1 62 62 ASP N N 62 116.891 116.891 116.601 0.290 18231 9500 1 19 . 1 1 62 62 ASP HA H 62 4.700 4.700 5.080 -0.380 18231 9501 1 19 . 1 1 62 62 ASP C C 62 176.806 176.806 176.307 0.499 18231 9502 1 19 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.334 -0.218 18231 9503 1 19 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.618 -1.968 18231 9504 1 19 . 1 1 62 62 ASP H H 62 8.008 8.008 7.973 0.035 18231 9505 1 19 . 1 1 63 63 GLU N N 63 129.185 129.185 126.768 2.417 18231 9506 1 19 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.066 -0.012 18231 9507 1 19 . 1 1 63 63 GLU C C 63 175.826 175.826 177.881 -2.055 18231 9508 1 19 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.593 -0.275 18231 9509 1 19 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.989 0.229 18231 9510 1 19 . 1 1 63 63 GLU H H 63 8.347 8.347 8.307 0.040 18231 9511 1 19 . 1 1 64 64 ASN N N 64 112.618 112.618 116.658 -4.040 18231 9512 1 19 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.534 0.214 18231 9513 1 19 . 1 1 64 64 ASN C C 64 176.855 176.855 176.039 0.816 18231 9514 1 19 . 1 1 64 64 ASN CA C 64 51.626 51.626 54.462 -2.836 18231 9515 1 19 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.880 -2.007 18231 9516 1 19 . 1 1 64 64 ASN H H 64 7.978 7.978 7.957 0.021 18231 9517 1 19 . 1 1 65 65 GLY N N 65 109.111 109.111 106.934 2.177 18231 9518 1 19 . 1 1 65 65 GLY C C 65 178.426 178.426 174.592 3.834 18231 9519 1 19 . 1 1 65 65 GLY CA C 65 47.039 47.039 45.599 1.440 18231 9520 1 19 . 1 1 65 65 GLY H H 65 7.543 7.543 8.131 -0.588 18231 9521 1 19 . 1 1 66 66 ASP N N 66 119.205 119.205 121.851 -2.646 18231 9522 1 19 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.448 0.093 18231 9523 1 19 . 1 1 66 66 ASP C C 66 176.015 176.015 177.868 -1.853 18231 9524 1 19 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.273 -1.434 18231 9525 1 19 . 1 1 66 66 ASP CB C 66 39.876 39.876 41.051 -1.175 18231 9526 1 19 . 1 1 66 66 ASP H H 66 8.113 8.113 7.978 0.135 18231 9527 1 19 . 1 1 67 67 GLY N N 67 113.254 113.254 108.688 4.566 18231 9528 1 19 . 1 1 67 67 GLY C C 67 180.780 180.780 173.533 7.247 18231 9529 1 19 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.984 0.229 18231 9530 1 19 . 1 1 67 67 GLY H H 67 10.267 10.267 9.250 1.017 18231 9531 1 19 . 1 1 68 68 GLU N N 68 116.975 116.975 119.376 -2.401 18231 9532 1 19 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.702 0.108 18231 9533 1 19 . 1 1 68 68 GLU C C 68 178.130 178.130 174.608 3.522 18231 9534 1 19 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.696 -0.566 18231 9535 1 19 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.298 2.454 18231 9536 1 19 . 1 1 68 68 GLU H H 68 7.714 7.714 8.852 -1.138 18231 9537 1 19 . 1 1 69 69 VAL N N 69 125.146 125.146 120.887 4.259 18231 9538 1 19 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.664 0.585 18231 9539 1 19 . 1 1 69 69 VAL C C 69 177.413 177.413 174.859 2.554 18231 9540 1 19 . 1 1 69 69 VAL CA C 69 60.702 60.702 60.453 0.249 18231 9541 1 19 . 1 1 69 69 VAL CB C 69 33.487 33.487 32.990 0.497 18231 9542 1 19 . 1 1 69 69 VAL H H 69 9.389 9.389 7.870 1.519 18231 9543 1 19 . 1 1 70 70 ASP N N 70 129.202 129.202 125.483 3.719 18231 9544 1 19 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.026 0.143 18231 9545 1 19 . 1 1 70 70 ASP C C 70 178.332 178.332 176.947 1.385 18231 9546 1 19 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.633 0.512 18231 9547 1 19 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.302 -3.205 18231 9548 1 19 . 1 1 70 70 ASP H H 70 9.109 9.109 8.402 0.707 18231 9549 1 19 . 1 1 71 71 PHE N N 71 118.298 118.298 124.496 -6.198 18231 9550 1 19 . 1 1 71 71 PHE HA H 71 2.927 2.927 4.052 -1.125 18231 9551 1 19 . 1 1 71 71 PHE C C 71 176.763 176.763 176.789 -0.026 18231 9552 1 19 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.750 1.301 18231 9553 1 19 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.838 0.151 18231 9554 1 19 . 1 1 71 71 PHE H H 71 8.938 8.938 8.861 0.077 18231 9555 1 19 . 1 1 72 72 GLN N N 72 116.762 116.762 116.199 0.563 18231 9556 1 19 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.759 -0.065 18231 9557 1 19 . 1 1 72 72 GLN C C 72 175.208 175.208 178.399 -3.191 18231 9558 1 19 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.153 0.066 18231 9559 1 19 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.262 -0.456 18231 9560 1 19 . 1 1 72 72 GLN H H 72 7.997 7.997 8.606 -0.609 18231 9561 1 19 . 1 1 73 73 GLU N N 73 120.146 120.146 120.563 -0.417 18231 9562 1 19 . 1 1 73 73 GLU HA H 73 4.096 4.096 4.001 0.095 18231 9563 1 19 . 1 1 73 73 GLU C C 73 174.746 174.746 178.622 -3.876 18231 9564 1 19 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.392 -1.288 18231 9565 1 19 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.686 0.160 18231 9566 1 19 . 1 1 73 73 GLU H H 73 8.289 8.289 7.840 0.449 18231 9567 1 19 . 1 1 74 74 TYR N N 74 121.506 121.506 121.420 0.086 18231 9568 1 19 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.149 -0.036 18231 9569 1 19 . 1 1 74 74 TYR C C 74 176.925 176.925 177.590 -0.665 18231 9570 1 19 . 1 1 74 74 TYR CA C 74 59.101 59.101 60.920 -1.819 18231 9571 1 19 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.544 -1.172 18231 9572 1 19 . 1 1 74 74 TYR H H 74 8.324 8.324 8.336 -0.012 18231 9573 1 19 . 1 1 75 75 VAL N N 75 120.725 120.725 116.753 3.972 18231 9574 1 19 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.204 -0.331 18231 9575 1 19 . 1 1 75 75 VAL C C 75 176.738 176.738 177.359 -0.621 18231 9576 1 19 . 1 1 75 75 VAL CA C 75 65.880 65.880 65.335 0.545 18231 9577 1 19 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.116 0.884 18231 9578 1 19 . 1 1 75 75 VAL H H 75 8.074 8.074 8.172 -0.098 18231 9579 1 19 . 1 1 76 76 VAL N N 76 120.118 120.118 120.685 -0.567 18231 9580 1 19 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.604 -0.184 18231 9581 1 19 . 1 1 76 76 VAL C C 76 174.620 174.620 177.971 -3.351 18231 9582 1 19 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.395 0.014 18231 9583 1 19 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.064 -0.288 18231 9584 1 19 . 1 1 76 76 VAL H H 76 7.119 7.119 7.219 -0.100 18231 9585 1 19 . 1 1 77 77 LEU N N 77 120.709 120.709 120.738 -0.029 18231 9586 1 19 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.054 -0.024 18231 9587 1 19 . 1 1 77 77 LEU C C 77 175.943 175.943 178.545 -2.602 18231 9588 1 19 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.271 -1.331 18231 9589 1 19 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.819 -0.711 18231 9590 1 19 . 1 1 77 77 LEU H H 77 6.865 6.865 8.018 -1.153 18231 9591 1 19 . 1 1 78 78 VAL N N 78 116.930 116.930 116.191 0.739 18231 9592 1 19 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.759 -0.619 18231 9593 1 19 . 1 1 78 78 VAL C C 78 174.150 174.150 177.324 -3.174 18231 9594 1 19 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.588 0.790 18231 9595 1 19 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.654 -0.425 18231 9596 1 19 . 1 1 78 78 VAL H H 78 7.539 7.539 7.983 -0.444 18231 9597 1 19 . 1 1 79 79 ALA N N 79 124.551 124.551 122.297 2.254 18231 9598 1 19 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.927 -0.235 18231 9599 1 19 . 1 1 79 79 ALA C C 79 175.111 175.111 179.241 -4.130 18231 9600 1 19 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.169 0.323 18231 9601 1 19 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.803 -0.340 18231 9602 1 19 . 1 1 79 79 ALA H H 79 8.918 8.918 8.130 0.788 18231 9603 1 19 . 1 1 80 80 ALA N N 80 120.223 120.223 121.064 -0.841 18231 9604 1 19 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.142 -0.077 18231 9605 1 19 . 1 1 80 80 ALA C C 80 171.473 171.473 179.350 -7.877 18231 9606 1 19 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.586 0.340 18231 9607 1 19 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.439 -1.014 18231 9608 1 19 . 1 1 80 80 ALA H H 80 7.760 7.760 7.713 0.047 18231 9609 1 19 . 1 1 81 81 LEU N N 81 119.090 119.090 119.997 -0.907 18231 9610 1 19 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.093 -0.005 18231 9611 1 19 . 1 1 81 81 LEU C C 81 174.008 174.008 178.688 -4.680 18231 9612 1 19 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.861 -0.204 18231 9613 1 19 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.674 0.557 18231 9614 1 19 . 1 1 81 81 LEU H H 81 8.542 8.542 8.107 0.435 18231 9615 1 19 . 1 1 82 82 THR N N 82 119.585 119.585 114.237 5.348 18231 9616 1 19 . 1 1 82 82 THR HA H 82 4.332 4.332 4.015 0.317 18231 9617 1 19 . 1 1 82 82 THR C C 82 176.758 176.758 176.836 -0.078 18231 9618 1 19 . 1 1 82 82 THR CA C 82 67.286 67.286 66.281 1.005 18231 9619 1 19 . 1 1 82 82 THR CB C 82 68.127 68.127 68.486 -0.359 18231 9620 1 19 . 1 1 82 82 THR H H 82 8.421 8.421 8.138 0.283 18231 9621 1 19 . 1 1 83 83 VAL N N 83 121.934 121.934 120.981 0.953 18231 9622 1 19 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.772 -0.057 18231 9623 1 19 . 1 1 83 83 VAL C C 83 175.556 175.556 178.057 -2.501 18231 9624 1 19 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.597 0.306 18231 9625 1 19 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.168 0.378 18231 9626 1 19 . 1 1 83 83 VAL H H 83 8.077 8.077 7.482 0.595 18231 9627 1 19 . 1 1 84 84 ALA N N 84 121.367 121.367 122.517 -1.150 18231 9628 1 19 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.062 0.139 18231 9629 1 19 . 1 1 84 84 ALA C C 84 173.936 173.936 179.529 -5.593 18231 9630 1 19 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.292 -0.012 18231 9631 1 19 . 1 1 84 84 ALA CB C 84 17.607 17.607 18.021 -0.414 18231 9632 1 19 . 1 1 84 84 ALA H H 84 7.835 7.835 8.318 -0.483 18231 9633 1 19 . 1 1 85 85 CYS N N 85 116.731 116.731 116.403 0.328 18231 9634 1 19 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.214 0.023 18231 9635 1 19 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.731 -8.079 18231 9636 1 19 . 1 1 85 85 CYS CB C 85 38.970 38.970 27.465 11.505 18231 9637 1 19 . 1 1 85 85 CYS H H 85 8.244 8.244 8.167 0.077 18231 9638 1 19 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.427 -0.044 18231 9639 1 19 . 1 1 86 86 ASN CA C 86 54.979 54.979 55.964 -0.985 18231 9640 1 19 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.162 2.329 18231 9641 1 19 . 1 1 87 87 ASN N N 87 120.372 120.372 119.507 0.865 18231 9642 1 19 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.691 -0.294 18231 9643 1 19 . 1 1 87 87 ASN CA C 87 54.969 54.969 55.875 -0.906 18231 9644 1 19 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.137 -0.749 18231 9645 1 19 . 1 1 87 87 ASN H H 87 7.539 7.539 7.734 -0.195 18231 9646 1 19 . 1 1 88 88 PHE N N 88 118.684 118.684 118.986 -0.302 18231 9647 1 19 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.423 -0.051 18231 9648 1 19 . 1 1 88 88 PHE C C 88 177.050 177.050 177.836 -0.786 18231 9649 1 19 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.605 -2.232 18231 9650 1 19 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.584 0.436 18231 9651 1 19 . 1 1 88 88 PHE H H 88 7.862 7.862 8.331 -0.469 18231 9652 1 19 . 1 1 89 89 PHE N N 89 118.515 118.515 121.068 -2.553 18231 9653 1 19 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.052 0.236 18231 9654 1 19 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.952 -2.694 18231 9655 1 19 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.962 0.270 18231 9656 1 19 . 1 1 89 89 PHE H H 89 7.898 7.898 7.767 0.131 18231 9657 1 19 . 1 1 90 90 TRP N N 90 118.964 118.964 118.269 0.695 18231 9658 1 19 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.330 0.155 18231 9659 1 19 . 1 1 90 90 TRP C C 90 174.481 174.481 178.367 -3.886 18231 9660 1 19 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.826 -2.455 18231 9661 1 19 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.445 -0.169 18231 9662 1 19 . 1 1 90 90 TRP H H 90 7.773 7.773 7.674 0.099 18231 9663 1 19 . 1 1 91 91 GLU N N 91 120.150 120.150 117.306 2.844 18231 9664 1 19 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.130 -0.073 18231 9665 1 19 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.140 -0.163 18231 9666 1 19 . 1 1 91 91 GLU CB C 91 30.094 30.094 30.135 -0.041 18231 9667 1 19 . 1 1 91 91 GLU H H 91 7.812 7.812 7.648 0.164 18231 9668 1 19 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.266 0.402 18231 9669 1 19 . 1 1 92 92 ASN C C 92 175.577 175.577 174.574 1.003 18231 9670 1 19 . 1 1 92 92 ASN CA C 92 52.806 52.806 54.114 -1.308 18231 9671 1 19 . 1 1 92 92 ASN CB C 92 38.795 38.795 36.754 2.041 18231 9672 1 20 . 1 1 2 2 SER N N 2 118.234 118.234 118.212 0.022 18231 9673 1 20 . 1 1 2 2 SER HA H 2 4.750 4.750 4.432 0.318 18231 9674 1 20 . 1 1 2 2 SER C C 2 178.105 178.105 175.705 2.400 18231 9675 1 20 . 1 1 2 2 SER CA C 2 57.133 57.133 57.602 -0.469 18231 9676 1 20 . 1 1 2 2 SER CB C 2 64.624 64.624 64.629 -0.005 18231 9677 1 20 . 1 1 2 2 SER H H 2 9.007 9.007 8.229 0.778 18231 9678 1 20 . 1 1 3 3 GLU N N 3 123.466 123.466 121.013 2.453 18231 9679 1 20 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.044 0.095 18231 9680 1 20 . 1 1 3 3 GLU C C 3 173.854 173.854 179.087 -5.233 18231 9681 1 20 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.804 1.306 18231 9682 1 20 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.550 -0.650 18231 9683 1 20 . 1 1 3 3 GLU H H 3 9.436 9.436 8.807 0.629 18231 9684 1 20 . 1 1 4 4 LEU N N 4 119.878 119.878 120.694 -0.816 18231 9685 1 20 . 1 1 4 4 LEU HA H 4 4.086 4.086 3.992 0.094 18231 9686 1 20 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.313 0.596 18231 9687 1 20 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.762 -0.357 18231 9688 1 20 . 1 1 4 4 LEU H H 4 8.891 8.891 7.915 0.976 18231 9689 1 20 . 1 1 5 5 GLU HA H 5 4.011 4.011 3.991 0.020 18231 9690 1 20 . 1 1 5 5 GLU C C 5 173.709 173.709 178.368 -4.659 18231 9691 1 20 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.308 0.288 18231 9692 1 20 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.424 -0.369 18231 9693 1 20 . 1 1 6 6 THR N N 6 116.614 116.614 116.112 0.502 18231 9694 1 20 . 1 1 6 6 THR HA H 6 4.019 4.019 4.024 -0.005 18231 9695 1 20 . 1 1 6 6 THR C C 6 176.965 176.965 175.991 0.974 18231 9696 1 20 . 1 1 6 6 THR CA C 6 66.175 66.175 66.068 0.107 18231 9697 1 20 . 1 1 6 6 THR CB C 6 68.280 68.280 68.527 -0.247 18231 9698 1 20 . 1 1 6 6 THR H H 6 8.316 8.316 7.582 0.734 18231 9699 1 20 . 1 1 7 7 ALA N N 7 126.118 126.118 124.603 1.515 18231 9700 1 20 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.136 0.000 18231 9701 1 20 . 1 1 7 7 ALA C C 7 173.544 173.544 179.575 -6.031 18231 9702 1 20 . 1 1 7 7 ALA CA C 7 54.838 54.838 55.110 -0.272 18231 9703 1 20 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.373 -0.923 18231 9704 1 20 . 1 1 7 7 ALA H H 7 8.167 8.167 7.555 0.612 18231 9705 1 20 . 1 1 8 8 MET N N 8 117.610 117.610 117.636 -0.026 18231 9706 1 20 . 1 1 8 8 MET HA H 8 4.174 4.174 4.092 0.082 18231 9707 1 20 . 1 1 8 8 MET C C 8 175.513 175.513 178.946 -3.433 18231 9708 1 20 . 1 1 8 8 MET CA C 8 61.988 61.988 59.260 2.728 18231 9709 1 20 . 1 1 8 8 MET CB C 8 26.277 26.277 32.344 -6.067 18231 9710 1 20 . 1 1 8 8 MET H H 8 8.286 8.286 7.514 0.772 18231 9711 1 20 . 1 1 9 9 GLU N N 9 117.751 117.751 118.812 -1.061 18231 9712 1 20 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.042 -0.122 18231 9713 1 20 . 1 1 9 9 GLU C C 9 174.479 174.479 179.416 -4.937 18231 9714 1 20 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.486 -0.067 18231 9715 1 20 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.657 -0.642 18231 9716 1 20 . 1 1 9 9 GLU H H 9 8.055 8.055 7.769 0.286 18231 9717 1 20 . 1 1 10 10 THR N N 10 117.936 117.936 114.464 3.472 18231 9718 1 20 . 1 1 10 10 THR HA H 10 4.083 4.083 4.104 -0.021 18231 9719 1 20 . 1 1 10 10 THR C C 10 177.781 177.781 176.747 1.034 18231 9720 1 20 . 1 1 10 10 THR CA C 10 66.869 66.869 66.339 0.530 18231 9721 1 20 . 1 1 10 10 THR CB C 10 67.663 67.663 68.946 -1.283 18231 9722 1 20 . 1 1 10 10 THR H H 10 8.398 8.398 8.445 -0.047 18231 9723 1 20 . 1 1 11 11 LEU N N 11 119.632 119.632 120.930 -1.298 18231 9724 1 20 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.426 -0.470 18231 9725 1 20 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.058 0.810 18231 9726 1 20 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.673 -0.076 18231 9727 1 20 . 1 1 11 11 LEU H H 11 8.134 8.134 7.629 0.505 18231 9728 1 20 . 1 1 12 12 ILE N N 12 119.532 119.532 121.263 -1.731 18231 9729 1 20 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.598 0.370 18231 9730 1 20 . 1 1 12 12 ILE C C 12 175.378 175.378 178.098 -2.720 18231 9731 1 20 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.633 -0.261 18231 9732 1 20 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.320 1.612 18231 9733 1 20 . 1 1 12 12 ILE H H 12 7.751 7.751 7.845 -0.094 18231 9734 1 20 . 1 1 13 13 ASN N N 13 121.617 121.617 118.518 3.099 18231 9735 1 20 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.450 0.077 18231 9736 1 20 . 1 1 13 13 ASN C C 13 174.457 174.457 177.713 -3.256 18231 9737 1 20 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.249 -0.189 18231 9738 1 20 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.141 -0.484 18231 9739 1 20 . 1 1 13 13 ASN H H 13 9.012 9.012 8.148 0.864 18231 9740 1 20 . 1 1 14 14 VAL N N 14 120.538 120.538 120.271 0.267 18231 9741 1 20 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.559 0.256 18231 9742 1 20 . 1 1 14 14 VAL C C 14 176.194 176.194 177.590 -1.396 18231 9743 1 20 . 1 1 14 14 VAL CA C 14 66.080 66.080 67.039 -0.959 18231 9744 1 20 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.876 -0.305 18231 9745 1 20 . 1 1 14 14 VAL H H 14 8.951 8.951 8.070 0.881 18231 9746 1 20 . 1 1 15 15 PHE N N 15 117.397 117.397 120.924 -3.527 18231 9747 1 20 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.147 -0.678 18231 9748 1 20 . 1 1 15 15 PHE C C 15 176.028 176.028 177.204 -1.176 18231 9749 1 20 . 1 1 15 15 PHE CA C 15 62.163 62.163 61.907 0.256 18231 9750 1 20 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.429 -0.494 18231 9751 1 20 . 1 1 15 15 PHE H H 15 6.953 6.953 8.566 -1.613 18231 9752 1 20 . 1 1 16 16 HIS N N 16 115.032 115.032 120.298 -5.266 18231 9753 1 20 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.046 0.790 18231 9754 1 20 . 1 1 16 16 HIS C C 16 176.028 176.028 177.278 -1.250 18231 9755 1 20 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.998 -1.980 18231 9756 1 20 . 1 1 16 16 HIS CB C 16 28.281 28.281 30.053 -1.772 18231 9757 1 20 . 1 1 16 16 HIS H H 16 7.736 7.736 8.556 -0.820 18231 9758 1 20 . 1 1 17 17 ALA N N 17 123.252 123.252 121.354 1.898 18231 9759 1 20 . 1 1 17 17 ALA HA H 17 4.048 4.048 4.035 0.013 18231 9760 1 20 . 1 1 17 17 ALA C C 17 174.507 174.507 179.629 -5.122 18231 9761 1 20 . 1 1 17 17 ALA CA C 17 53.695 53.695 55.066 -1.371 18231 9762 1 20 . 1 1 17 17 ALA CB C 17 17.354 17.354 18.041 -0.687 18231 9763 1 20 . 1 1 17 17 ALA H H 17 8.070 8.070 8.358 -0.288 18231 9764 1 20 . 1 1 18 18 HIS N N 18 113.812 113.812 117.005 -3.193 18231 9765 1 20 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.162 0.228 18231 9766 1 20 . 1 1 18 18 HIS C C 18 177.747 177.747 178.506 -0.759 18231 9767 1 20 . 1 1 18 18 HIS CA C 18 56.935 56.935 59.199 -2.264 18231 9768 1 20 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.689 2.451 18231 9769 1 20 . 1 1 18 18 HIS H H 18 7.043 7.043 8.236 -1.193 18231 9770 1 20 . 1 1 19 19 SER N N 19 113.634 113.634 115.133 -1.499 18231 9771 1 20 . 1 1 19 19 SER HA H 19 3.673 3.673 4.284 -0.611 18231 9772 1 20 . 1 1 19 19 SER C C 19 176.511 176.511 176.950 -0.439 18231 9773 1 20 . 1 1 19 19 SER CA C 19 60.926 60.926 60.675 0.251 18231 9774 1 20 . 1 1 19 19 SER CB C 19 60.919 60.919 62.166 -1.247 18231 9775 1 20 . 1 1 19 19 SER H H 19 8.489 8.489 8.188 0.301 18231 9776 1 20 . 1 1 20 20 GLY N N 20 111.572 111.572 108.875 2.697 18231 9777 1 20 . 1 1 20 20 GLY C C 20 179.798 179.798 175.804 3.994 18231 9778 1 20 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.481 -1.389 18231 9779 1 20 . 1 1 20 20 GLY H H 20 7.734 7.734 8.083 -0.349 18231 9780 1 20 . 1 1 21 21 LYS N N 21 122.204 122.204 120.967 1.237 18231 9781 1 20 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.034 -0.110 18231 9782 1 20 . 1 1 21 21 LYS C C 21 176.162 176.162 177.507 -1.345 18231 9783 1 20 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.696 0.400 18231 9784 1 20 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.581 -0.681 18231 9785 1 20 . 1 1 21 21 LYS H H 21 7.196 7.196 7.751 -0.555 18231 9786 1 20 . 1 1 22 22 GLU N N 22 115.840 115.840 118.541 -2.701 18231 9787 1 20 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.502 0.165 18231 9788 1 20 . 1 1 22 22 GLU C C 22 176.511 176.511 176.395 0.116 18231 9789 1 20 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.195 -1.414 18231 9790 1 20 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.325 3.316 18231 9791 1 20 . 1 1 22 22 GLU H H 22 9.363 9.363 7.612 1.751 18231 9792 1 20 . 1 1 23 23 GLY N N 23 111.558 111.558 110.672 0.886 18231 9793 1 20 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.541 -0.041 18231 9794 1 20 . 1 1 23 23 GLY H H 23 7.710 7.710 8.124 -0.414 18231 9795 1 20 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.350 0.058 18231 9796 1 20 . 1 1 24 24 ASP C C 24 173.495 173.495 177.007 -3.512 18231 9797 1 20 . 1 1 24 24 ASP CA C 24 54.717 54.717 55.374 -0.657 18231 9798 1 20 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.635 2.425 18231 9799 1 20 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.843 0.444 18231 9800 1 20 . 1 1 25 25 LYS CA C 25 57.529 57.529 58.799 -1.270 18231 9801 1 20 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.018 -1.109 18231 9802 1 20 . 1 1 26 26 TYR N N 26 119.467 119.467 115.433 4.034 18231 9803 1 20 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.508 0.203 18231 9804 1 20 . 1 1 26 26 TYR C C 26 179.682 179.682 176.042 3.640 18231 9805 1 20 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.780 -3.956 18231 9806 1 20 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.401 -0.730 18231 9807 1 20 . 1 1 26 26 TYR H H 26 9.377 9.377 8.256 1.121 18231 9808 1 20 . 1 1 27 27 LYS N N 27 114.770 114.770 118.385 -3.615 18231 9809 1 20 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.649 0.473 18231 9810 1 20 . 1 1 27 27 LYS C C 27 178.721 178.721 174.399 4.322 18231 9811 1 20 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.797 -0.070 18231 9812 1 20 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.506 2.983 18231 9813 1 20 . 1 1 27 27 LYS H H 27 7.100 7.100 7.789 -0.689 18231 9814 1 20 . 1 1 28 28 LEU N N 28 125.858 125.858 125.096 0.762 18231 9815 1 20 . 1 1 28 28 LEU HA H 28 5.183 5.183 5.112 0.071 18231 9816 1 20 . 1 1 28 28 LEU C C 28 177.490 177.490 175.482 2.008 18231 9817 1 20 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.519 -1.186 18231 9818 1 20 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.974 -2.388 18231 9819 1 20 . 1 1 28 28 LEU H H 28 9.750 9.750 8.270 1.480 18231 9820 1 20 . 1 1 29 29 SER N N 29 120.926 120.926 119.979 0.947 18231 9821 1 20 . 1 1 29 29 SER HA H 29 4.560 4.560 4.763 -0.203 18231 9822 1 20 . 1 1 29 29 SER C C 29 178.943 178.943 175.507 3.436 18231 9823 1 20 . 1 1 29 29 SER CA C 29 55.907 55.907 55.836 0.071 18231 9824 1 20 . 1 1 29 29 SER CB C 29 65.035 65.035 65.540 -0.505 18231 9825 1 20 . 1 1 29 29 SER H H 29 9.907 9.907 8.370 1.537 18231 9826 1 20 . 1 1 30 30 LYS N N 30 120.263 120.263 127.006 -6.743 18231 9827 1 20 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.955 -0.104 18231 9828 1 20 . 1 1 30 30 LYS C C 30 175.519 175.519 178.477 -2.958 18231 9829 1 20 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.330 0.330 18231 9830 1 20 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.369 -0.631 18231 9831 1 20 . 1 1 30 30 LYS H H 30 8.838 8.838 8.939 -0.101 18231 9832 1 20 . 1 1 31 31 LYS N N 31 118.292 118.292 117.828 0.464 18231 9833 1 20 . 1 1 31 31 LYS HA H 31 3.922 3.922 3.988 -0.066 18231 9834 1 20 . 1 1 31 31 LYS C C 31 174.664 174.664 179.039 -4.375 18231 9835 1 20 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.575 -0.277 18231 9836 1 20 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.191 0.474 18231 9837 1 20 . 1 1 31 31 LYS H H 31 7.903 7.903 7.746 0.157 18231 9838 1 20 . 1 1 32 32 GLU N N 32 119.243 119.243 118.919 0.324 18231 9839 1 20 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.001 -0.094 18231 9840 1 20 . 1 1 32 32 GLU C C 32 174.836 174.836 178.907 -4.071 18231 9841 1 20 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.139 -0.823 18231 9842 1 20 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.535 1.342 18231 9843 1 20 . 1 1 32 32 GLU H H 32 7.499 7.499 7.480 0.019 18231 9844 1 20 . 1 1 33 33 LEU N N 33 119.432 119.432 119.395 0.037 18231 9845 1 20 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.123 -0.205 18231 9846 1 20 . 1 1 33 33 LEU C C 33 175.740 175.740 177.908 -2.168 18231 9847 1 20 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.133 0.136 18231 9848 1 20 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.053 -0.072 18231 9849 1 20 . 1 1 33 33 LEU H H 33 9.062 9.062 8.271 0.791 18231 9850 1 20 . 1 1 34 34 LYS N N 34 119.090 119.090 120.716 -1.626 18231 9851 1 20 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.831 -0.177 18231 9852 1 20 . 1 1 34 34 LYS C C 34 175.916 175.916 178.366 -2.450 18231 9853 1 20 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.299 -0.015 18231 9854 1 20 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.173 -0.773 18231 9855 1 20 . 1 1 34 34 LYS H H 34 8.236 8.236 8.567 -0.331 18231 9856 1 20 . 1 1 35 35 GLU N N 35 117.482 117.482 118.876 -1.394 18231 9857 1 20 . 1 1 35 35 GLU HA H 35 3.997 3.997 3.958 0.039 18231 9858 1 20 . 1 1 35 35 GLU C C 35 174.549 174.549 178.743 -4.194 18231 9859 1 20 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.368 -0.139 18231 9860 1 20 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.218 -0.385 18231 9861 1 20 . 1 1 35 35 GLU H H 35 7.734 7.734 7.604 0.130 18231 9862 1 20 . 1 1 36 36 LEU N N 36 124.601 124.601 119.517 5.084 18231 9863 1 20 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.904 -1.216 18231 9864 1 20 . 1 1 36 36 LEU C C 36 174.780 174.780 179.027 -4.247 18231 9865 1 20 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.898 1.429 18231 9866 1 20 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.033 0.602 18231 9867 1 20 . 1 1 36 36 LEU H H 36 8.308 8.308 7.201 1.107 18231 9868 1 20 . 1 1 37 37 LEU N N 37 118.901 118.901 119.082 -0.181 18231 9869 1 20 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.869 -0.136 18231 9870 1 20 . 1 1 37 37 LEU C C 37 174.771 174.771 179.206 -4.435 18231 9871 1 20 . 1 1 37 37 LEU CA C 37 57.913 57.913 58.137 -0.224 18231 9872 1 20 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.294 -0.008 18231 9873 1 20 . 1 1 37 37 LEU H H 37 8.663 8.663 8.272 0.391 18231 9874 1 20 . 1 1 38 38 GLN N N 38 114.582 114.582 118.224 -3.642 18231 9875 1 20 . 1 1 38 38 GLN HA H 38 3.957 3.957 3.986 -0.029 18231 9876 1 20 . 1 1 38 38 GLN C C 38 175.747 175.747 177.661 -1.914 18231 9877 1 20 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.826 -0.655 18231 9878 1 20 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.865 -0.236 18231 9879 1 20 . 1 1 38 38 GLN H H 38 8.507 8.507 8.177 0.330 18231 9880 1 20 . 1 1 39 39 THR N N 39 110.227 110.227 113.706 -3.479 18231 9881 1 20 . 1 1 39 39 THR HA H 39 4.252 4.252 3.853 0.399 18231 9882 1 20 . 1 1 39 39 THR C C 39 176.966 176.966 176.060 0.906 18231 9883 1 20 . 1 1 39 39 THR CA C 39 64.485 64.485 65.489 -1.004 18231 9884 1 20 . 1 1 39 39 THR CB C 39 69.254 69.254 68.875 0.379 18231 9885 1 20 . 1 1 39 39 THR H H 39 7.845 7.845 8.001 -0.156 18231 9886 1 20 . 1 1 40 40 GLU N N 40 117.400 117.400 119.045 -1.645 18231 9887 1 20 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.203 -0.053 18231 9888 1 20 . 1 1 40 40 GLU C C 40 177.343 177.343 177.122 0.221 18231 9889 1 20 . 1 1 40 40 GLU CA C 40 56.569 56.569 57.835 -1.266 18231 9890 1 20 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.211 -0.630 18231 9891 1 20 . 1 1 40 40 GLU H H 40 8.460 8.460 8.143 0.317 18231 9892 1 20 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.655 0.372 18231 9893 1 20 . 1 1 41 41 LEU C C 41 176.458 176.458 178.309 -1.851 18231 9894 1 20 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.852 -1.417 18231 9895 1 20 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.398 0.909 18231 9896 1 20 . 1 1 42 42 SER N N 42 116.528 116.528 120.203 -3.675 18231 9897 1 20 . 1 1 42 42 SER HA H 42 4.062 4.062 4.342 -0.280 18231 9898 1 20 . 1 1 42 42 SER CA C 42 61.213 61.213 61.383 -0.170 18231 9899 1 20 . 1 1 42 42 SER CB C 42 62.378 62.378 62.880 -0.502 18231 9900 1 20 . 1 1 42 42 SER H H 42 8.246 8.246 9.024 -0.778 18231 9901 1 20 . 1 1 43 43 GLY N N 43 111.367 111.367 109.295 2.072 18231 9902 1 20 . 1 1 43 43 GLY C C 43 177.750 177.750 175.661 2.089 18231 9903 1 20 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.251 -0.513 18231 9904 1 20 . 1 1 43 43 GLY H H 43 8.850 8.850 8.417 0.433 18231 9905 1 20 . 1 1 44 44 PHE N N 44 122.213 122.213 121.262 0.951 18231 9906 1 20 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.103 0.260 18231 9907 1 20 . 1 1 44 44 PHE C C 44 176.428 176.428 177.069 -0.641 18231 9908 1 20 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.677 -0.164 18231 9909 1 20 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.337 0.995 18231 9910 1 20 . 1 1 44 44 PHE H H 44 7.936 7.936 7.971 -0.035 18231 9911 1 20 . 1 1 45 45 LEU N N 45 119.395 119.395 120.491 -1.096 18231 9912 1 20 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.442 0.589 18231 9913 1 20 . 1 1 45 45 LEU C C 45 177.212 177.212 179.214 -2.002 18231 9914 1 20 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.370 -0.002 18231 9915 1 20 . 1 1 45 45 LEU CB C 45 40.041 40.041 39.663 0.378 18231 9916 1 20 . 1 1 45 45 LEU H H 45 8.133 8.133 6.786 1.347 18231 9917 1 20 . 1 1 46 46 ASP N N 46 117.384 117.384 119.438 -2.054 18231 9918 1 20 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.360 0.022 18231 9919 1 20 . 1 1 46 46 ASP C C 46 176.684 176.684 178.525 -1.841 18231 9920 1 20 . 1 1 46 46 ASP CA C 46 55.312 55.312 57.123 -1.811 18231 9921 1 20 . 1 1 46 46 ASP CB C 46 40.540 40.540 40.013 0.527 18231 9922 1 20 . 1 1 46 46 ASP H H 46 8.139 8.139 8.455 -0.316 18231 9923 1 20 . 1 1 47 47 ALA N N 47 121.052 121.052 121.743 -0.691 18231 9924 1 20 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.084 0.080 18231 9925 1 20 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.584 -2.039 18231 9926 1 20 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.418 -0.069 18231 9927 1 20 . 1 1 47 47 ALA H H 47 7.637 7.637 7.800 -0.163 18231 9928 1 20 . 1 1 48 48 GLN N N 48 116.271 116.271 117.938 -1.667 18231 9929 1 20 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.022 0.117 18231 9930 1 20 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.325 -3.346 18231 9931 1 20 . 1 1 48 48 GLN CB C 48 28.071 28.071 27.947 0.124 18231 9932 1 20 . 1 1 48 48 GLN H H 48 7.661 7.661 7.816 -0.155 18231 9933 1 20 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.080 0.049 18231 9934 1 20 . 1 1 49 49 LYS C C 49 177.345 177.345 177.155 0.190 18231 9935 1 20 . 1 1 49 49 LYS CA C 49 56.247 56.247 58.125 -1.878 18231 9936 1 20 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.736 -0.956 18231 9937 1 20 . 1 1 50 50 ASP N N 50 118.526 118.526 117.701 0.825 18231 9938 1 20 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.772 -0.115 18231 9939 1 20 . 1 1 50 50 ASP C C 50 177.422 177.422 176.634 0.788 18231 9940 1 20 . 1 1 50 50 ASP CA C 50 53.834 53.834 53.751 0.083 18231 9941 1 20 . 1 1 50 50 ASP CB C 50 41.689 41.689 41.337 0.352 18231 9942 1 20 . 1 1 50 50 ASP H H 50 7.975 7.975 7.731 0.244 18231 9943 1 20 . 1 1 51 51 VAL N N 51 120.868 120.868 120.674 0.194 18231 9944 1 20 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.908 0.072 18231 9945 1 20 . 1 1 51 51 VAL C C 51 177.212 177.212 176.620 0.592 18231 9946 1 20 . 1 1 51 51 VAL CA C 51 63.349 63.349 64.849 -1.500 18231 9947 1 20 . 1 1 51 51 VAL CB C 51 31.736 31.736 31.806 -0.070 18231 9948 1 20 . 1 1 51 51 VAL H H 51 8.225 8.225 8.500 -0.275 18231 9949 1 20 . 1 1 52 52 ASP N N 52 121.054 121.054 121.848 -0.794 18231 9950 1 20 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.304 0.474 18231 9951 1 20 . 1 1 52 52 ASP C C 52 176.912 176.912 177.987 -1.075 18231 9952 1 20 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.438 -4.049 18231 9953 1 20 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.551 0.520 18231 9954 1 20 . 1 1 52 52 ASP H H 52 8.403 8.403 8.343 0.060 18231 9955 1 20 . 1 1 53 53 ALA N N 53 123.449 123.449 122.404 1.045 18231 9956 1 20 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.099 -0.162 18231 9957 1 20 . 1 1 53 53 ALA C C 53 174.124 174.124 179.492 -5.368 18231 9958 1 20 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.927 0.036 18231 9959 1 20 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.231 0.642 18231 9960 1 20 . 1 1 53 53 ALA H H 53 7.757 7.757 8.046 -0.289 18231 9961 1 20 . 1 1 54 54 VAL N N 54 116.105 116.105 114.655 1.450 18231 9962 1 20 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.635 -0.177 18231 9963 1 20 . 1 1 54 54 VAL C C 54 176.953 176.953 177.072 -0.119 18231 9964 1 20 . 1 1 54 54 VAL CA C 54 65.895 65.895 65.922 -0.027 18231 9965 1 20 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.220 -0.640 18231 9966 1 20 . 1 1 54 54 VAL H H 54 8.281 8.281 7.986 0.295 18231 9967 1 20 . 1 1 55 55 ASP N N 55 120.466 120.466 120.615 -0.149 18231 9968 1 20 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.400 -0.235 18231 9969 1 20 . 1 1 55 55 ASP C C 55 174.997 174.997 178.210 -3.213 18231 9970 1 20 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.262 -0.062 18231 9971 1 20 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.408 0.112 18231 9972 1 20 . 1 1 55 55 ASP H H 55 7.667 7.667 8.152 -0.485 18231 9973 1 20 . 1 1 56 56 LYS N N 56 119.065 119.065 119.482 -0.417 18231 9974 1 20 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.022 -0.043 18231 9975 1 20 . 1 1 56 56 LYS C C 56 174.602 174.602 179.361 -4.759 18231 9976 1 20 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.428 -0.883 18231 9977 1 20 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.519 -0.919 18231 9978 1 20 . 1 1 56 56 LYS H H 56 7.628 7.628 7.363 0.265 18231 9979 1 20 . 1 1 57 57 VAL N N 57 119.756 119.756 120.320 -0.564 18231 9980 1 20 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.760 -0.033 18231 9981 1 20 . 1 1 57 57 VAL C C 57 175.782 175.782 178.199 -2.417 18231 9982 1 20 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.405 -0.806 18231 9983 1 20 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.829 -0.582 18231 9984 1 20 . 1 1 57 57 VAL H H 57 7.920 7.920 8.142 -0.222 18231 9985 1 20 . 1 1 58 58 MET N N 58 118.541 118.541 119.195 -0.654 18231 9986 1 20 . 1 1 58 58 MET HA H 58 3.936 3.936 4.028 -0.092 18231 9987 1 20 . 1 1 58 58 MET C C 58 176.330 176.330 177.680 -1.350 18231 9988 1 20 . 1 1 58 58 MET CA C 58 58.620 58.620 59.189 -0.569 18231 9989 1 20 . 1 1 58 58 MET CB C 58 32.002 32.002 32.288 -0.286 18231 9990 1 20 . 1 1 58 58 MET H H 58 8.426 8.426 8.407 0.019 18231 9991 1 20 . 1 1 59 59 LYS N N 59 116.084 116.084 118.624 -2.540 18231 9992 1 20 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.937 -0.001 18231 9993 1 20 . 1 1 59 59 LYS C C 59 176.918 176.918 177.858 -0.940 18231 9994 1 20 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.580 -0.906 18231 9995 1 20 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.182 0.420 18231 9996 1 20 . 1 1 59 59 LYS H H 59 7.623 7.623 7.803 -0.180 18231 9997 1 20 . 1 1 60 60 GLU N N 60 117.227 117.227 117.448 -0.221 18231 9998 1 20 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.110 -0.055 18231 9999 1 20 . 1 1 60 60 GLU C C 60 175.146 175.146 178.291 -3.145 18231 10000 1 20 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.569 -0.538 18231 10001 1 20 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.623 -0.308 18231 10002 1 20 . 1 1 60 60 GLU H H 60 7.592 7.592 7.534 0.058 18231 10003 1 20 . 1 1 61 61 LEU N N 61 116.051 116.051 117.491 -1.440 18231 10004 1 20 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.151 0.212 18231 10005 1 20 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.990 -2.131 18231 10006 1 20 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.357 1.220 18231 10007 1 20 . 1 1 61 61 LEU H H 61 8.045 8.045 7.400 0.645 18231 10008 1 20 . 1 1 62 62 ASP N N 62 116.891 116.891 117.472 -0.581 18231 10009 1 20 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.872 -0.172 18231 10010 1 20 . 1 1 62 62 ASP C C 62 176.806 176.806 176.349 0.457 18231 10011 1 20 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.524 -0.408 18231 10012 1 20 . 1 1 62 62 ASP CB C 62 38.651 38.651 40.104 -1.453 18231 10013 1 20 . 1 1 62 62 ASP H H 62 8.008 8.008 7.945 0.063 18231 10014 1 20 . 1 1 63 63 GLU N N 63 129.185 129.185 125.591 3.594 18231 10015 1 20 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.052 0.002 18231 10016 1 20 . 1 1 63 63 GLU C C 63 175.826 175.826 177.854 -2.028 18231 10017 1 20 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.547 -0.229 18231 10018 1 20 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.938 0.280 18231 10019 1 20 . 1 1 63 63 GLU H H 63 8.347 8.347 8.178 0.169 18231 10020 1 20 . 1 1 64 64 ASN N N 64 112.618 112.618 116.230 -3.612 18231 10021 1 20 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.523 0.225 18231 10022 1 20 . 1 1 64 64 ASN C C 64 176.855 176.855 176.099 0.756 18231 10023 1 20 . 1 1 64 64 ASN CA C 64 51.626 51.626 54.415 -2.789 18231 10024 1 20 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.901 -2.029 18231 10025 1 20 . 1 1 64 64 ASN H H 64 7.978 7.978 7.915 0.063 18231 10026 1 20 . 1 1 65 65 GLY N N 65 109.111 109.111 106.891 2.220 18231 10027 1 20 . 1 1 65 65 GLY C C 65 178.426 178.426 174.701 3.725 18231 10028 1 20 . 1 1 65 65 GLY CA C 65 47.039 47.039 45.537 1.502 18231 10029 1 20 . 1 1 65 65 GLY H H 65 7.543 7.543 8.307 -0.764 18231 10030 1 20 . 1 1 66 66 ASP N N 66 119.205 119.205 121.852 -2.647 18231 10031 1 20 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.469 0.072 18231 10032 1 20 . 1 1 66 66 ASP C C 66 176.015 176.015 177.789 -1.774 18231 10033 1 20 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.292 -1.453 18231 10034 1 20 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.926 -1.050 18231 10035 1 20 . 1 1 66 66 ASP H H 66 8.113 8.113 8.026 0.087 18231 10036 1 20 . 1 1 67 67 GLY N N 67 113.254 113.254 108.457 4.797 18231 10037 1 20 . 1 1 67 67 GLY C C 67 180.780 180.780 173.600 7.180 18231 10038 1 20 . 1 1 67 67 GLY CA C 67 45.213 45.213 44.950 0.264 18231 10039 1 20 . 1 1 67 67 GLY H H 67 10.267 10.267 9.210 1.057 18231 10040 1 20 . 1 1 68 68 GLU N N 68 116.975 116.975 118.880 -1.905 18231 10041 1 20 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.673 0.137 18231 10042 1 20 . 1 1 68 68 GLU C C 68 178.130 178.130 174.596 3.534 18231 10043 1 20 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.564 -0.434 18231 10044 1 20 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.444 2.308 18231 10045 1 20 . 1 1 68 68 GLU H H 68 7.714 7.714 8.917 -1.203 18231 10046 1 20 . 1 1 69 69 VAL N N 69 125.146 125.146 120.806 4.340 18231 10047 1 20 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.764 0.485 18231 10048 1 20 . 1 1 69 69 VAL C C 69 177.413 177.413 174.895 2.518 18231 10049 1 20 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.109 -0.407 18231 10050 1 20 . 1 1 69 69 VAL CB C 69 33.487 33.487 32.850 0.637 18231 10051 1 20 . 1 1 69 69 VAL H H 69 9.389 9.389 7.921 1.468 18231 10052 1 20 . 1 1 70 70 ASP N N 70 129.202 129.202 125.217 3.985 18231 10053 1 20 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.010 0.159 18231 10054 1 20 . 1 1 70 70 ASP C C 70 178.332 178.332 176.898 1.434 18231 10055 1 20 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.545 0.600 18231 10056 1 20 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.316 -3.220 18231 10057 1 20 . 1 1 70 70 ASP H H 70 9.109 9.109 8.776 0.333 18231 10058 1 20 . 1 1 71 71 PHE N N 71 118.298 118.298 124.053 -5.755 18231 10059 1 20 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.725 -0.798 18231 10060 1 20 . 1 1 71 71 PHE C C 71 176.763 176.763 176.780 -0.017 18231 10061 1 20 . 1 1 71 71 PHE CA C 71 63.051 63.051 62.049 1.002 18231 10062 1 20 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.780 0.209 18231 10063 1 20 . 1 1 71 71 PHE H H 71 8.938 8.938 8.687 0.251 18231 10064 1 20 . 1 1 72 72 GLN N N 72 116.762 116.762 116.327 0.435 18231 10065 1 20 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.840 -0.146 18231 10066 1 20 . 1 1 72 72 GLN C C 72 175.208 175.208 178.470 -3.262 18231 10067 1 20 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.546 -0.327 18231 10068 1 20 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.023 -0.217 18231 10069 1 20 . 1 1 72 72 GLN H H 72 7.997 7.997 9.017 -1.020 18231 10070 1 20 . 1 1 73 73 GLU N N 73 120.146 120.146 120.317 -0.171 18231 10071 1 20 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.981 0.115 18231 10072 1 20 . 1 1 73 73 GLU C C 73 174.746 174.746 178.656 -3.910 18231 10073 1 20 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.290 -1.186 18231 10074 1 20 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.578 0.268 18231 10075 1 20 . 1 1 73 73 GLU H H 73 8.289 8.289 7.769 0.520 18231 10076 1 20 . 1 1 74 74 TYR N N 74 121.506 121.506 121.449 0.057 18231 10077 1 20 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.075 0.038 18231 10078 1 20 . 1 1 74 74 TYR C C 74 176.925 176.925 177.368 -0.443 18231 10079 1 20 . 1 1 74 74 TYR CA C 74 59.101 59.101 60.721 -1.620 18231 10080 1 20 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.323 -0.951 18231 10081 1 20 . 1 1 74 74 TYR H H 74 8.324 8.324 8.258 0.066 18231 10082 1 20 . 1 1 75 75 VAL N N 75 120.725 120.725 116.318 4.407 18231 10083 1 20 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.191 -0.318 18231 10084 1 20 . 1 1 75 75 VAL C C 75 176.738 176.738 177.550 -0.812 18231 10085 1 20 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.120 -0.240 18231 10086 1 20 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.773 0.227 18231 10087 1 20 . 1 1 75 75 VAL H H 75 8.074 8.074 7.946 0.128 18231 10088 1 20 . 1 1 76 76 VAL N N 76 120.118 120.118 120.499 -0.381 18231 10089 1 20 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.557 -0.137 18231 10090 1 20 . 1 1 76 76 VAL C C 76 174.620 174.620 178.096 -3.476 18231 10091 1 20 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.294 0.115 18231 10092 1 20 . 1 1 76 76 VAL CB C 76 30.776 30.776 30.839 -0.063 18231 10093 1 20 . 1 1 76 76 VAL H H 76 7.119 7.119 7.299 -0.180 18231 10094 1 20 . 1 1 77 77 LEU N N 77 120.709 120.709 120.931 -0.222 18231 10095 1 20 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.003 0.027 18231 10096 1 20 . 1 1 77 77 LEU C C 77 175.943 175.943 178.279 -2.336 18231 10097 1 20 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.133 -1.194 18231 10098 1 20 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.956 -0.848 18231 10099 1 20 . 1 1 77 77 LEU H H 77 6.865 6.865 7.855 -0.990 18231 10100 1 20 . 1 1 78 78 VAL N N 78 116.930 116.930 116.072 0.858 18231 10101 1 20 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.541 -0.401 18231 10102 1 20 . 1 1 78 78 VAL C C 78 174.150 174.150 177.372 -3.222 18231 10103 1 20 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.803 0.575 18231 10104 1 20 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.521 -0.292 18231 10105 1 20 . 1 1 78 78 VAL H H 78 7.539 7.539 8.195 -0.656 18231 10106 1 20 . 1 1 79 79 ALA N N 79 124.551 124.551 122.797 1.754 18231 10107 1 20 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.918 -0.226 18231 10108 1 20 . 1 1 79 79 ALA C C 79 175.111 175.111 179.126 -4.015 18231 10109 1 20 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.184 0.308 18231 10110 1 20 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.998 -0.535 18231 10111 1 20 . 1 1 79 79 ALA H H 79 8.918 8.918 8.233 0.685 18231 10112 1 20 . 1 1 80 80 ALA N N 80 120.223 120.223 121.234 -1.011 18231 10113 1 20 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.128 -0.063 18231 10114 1 20 . 1 1 80 80 ALA C C 80 171.473 171.473 179.661 -8.188 18231 10115 1 20 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.654 0.272 18231 10116 1 20 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.427 -1.001 18231 10117 1 20 . 1 1 80 80 ALA H H 80 7.760 7.760 7.478 0.282 18231 10118 1 20 . 1 1 81 81 LEU N N 81 119.090 119.090 118.869 0.221 18231 10119 1 20 . 1 1 81 81 LEU HA H 81 4.088 4.088 3.931 0.157 18231 10120 1 20 . 1 1 81 81 LEU C C 81 174.008 174.008 179.190 -5.182 18231 10121 1 20 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.693 -0.036 18231 10122 1 20 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.478 0.753 18231 10123 1 20 . 1 1 81 81 LEU H H 81 8.542 8.542 8.427 0.115 18231 10124 1 20 . 1 1 82 82 THR N N 82 119.585 119.585 114.439 5.146 18231 10125 1 20 . 1 1 82 82 THR HA H 82 4.332 4.332 4.027 0.305 18231 10126 1 20 . 1 1 82 82 THR C C 82 176.758 176.758 176.660 0.098 18231 10127 1 20 . 1 1 82 82 THR CA C 82 67.286 67.286 66.362 0.924 18231 10128 1 20 . 1 1 82 82 THR CB C 82 68.127 68.127 68.450 -0.323 18231 10129 1 20 . 1 1 82 82 THR H H 82 8.421 8.421 8.131 0.290 18231 10130 1 20 . 1 1 83 83 VAL N N 83 121.934 121.934 120.722 1.212 18231 10131 1 20 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.993 -0.278 18231 10132 1 20 . 1 1 83 83 VAL C C 83 175.556 175.556 177.933 -2.377 18231 10133 1 20 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.052 0.851 18231 10134 1 20 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.766 -0.220 18231 10135 1 20 . 1 1 83 83 VAL H H 83 8.077 8.077 7.500 0.577 18231 10136 1 20 . 1 1 84 84 ALA N N 84 121.367 121.367 122.634 -1.267 18231 10137 1 20 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.096 0.105 18231 10138 1 20 . 1 1 84 84 ALA C C 84 173.936 173.936 179.510 -5.574 18231 10139 1 20 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.270 0.010 18231 10140 1 20 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.981 -0.374 18231 10141 1 20 . 1 1 84 84 ALA H H 84 7.835 7.835 8.299 -0.464 18231 10142 1 20 . 1 1 85 85 CYS N N 85 116.731 116.731 116.455 0.276 18231 10143 1 20 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.100 0.137 18231 10144 1 20 . 1 1 85 85 CYS CA C 85 56.651 56.651 63.275 -6.624 18231 10145 1 20 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.203 12.767 18231 10146 1 20 . 1 1 85 85 CYS H H 85 8.244 8.244 8.406 -0.162 18231 10147 1 20 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.484 -0.102 18231 10148 1 20 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.362 -1.383 18231 10149 1 20 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.225 2.266 18231 10150 1 20 . 1 1 87 87 ASN N N 87 120.372 120.372 119.197 1.175 18231 10151 1 20 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.724 -0.327 18231 10152 1 20 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.301 -1.332 18231 10153 1 20 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.817 -1.429 18231 10154 1 20 . 1 1 87 87 ASN H H 87 7.539 7.539 7.748 -0.209 18231 10155 1 20 . 1 1 88 88 PHE N N 88 118.684 118.684 120.847 -2.163 18231 10156 1 20 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.409 -0.036 18231 10157 1 20 . 1 1 88 88 PHE C C 88 177.050 177.050 177.132 -0.082 18231 10158 1 20 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.650 -2.277 18231 10159 1 20 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.948 0.071 18231 10160 1 20 . 1 1 88 88 PHE H H 88 7.862 7.862 8.534 -0.672 18231 10161 1 20 . 1 1 89 89 PHE N N 89 118.515 118.515 118.916 -0.401 18231 10162 1 20 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.017 0.271 18231 10163 1 20 . 1 1 89 89 PHE CA C 89 59.258 59.258 62.270 -3.012 18231 10164 1 20 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.546 0.686 18231 10165 1 20 . 1 1 89 89 PHE H H 89 7.898 7.898 7.650 0.248 18231 10166 1 20 . 1 1 90 90 TRP N N 90 118.964 118.964 117.818 1.146 18231 10167 1 20 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.256 0.229 18231 10168 1 20 . 1 1 90 90 TRP C C 90 174.481 174.481 178.849 -4.368 18231 10169 1 20 . 1 1 90 90 TRP CA C 90 57.371 57.371 60.120 -2.749 18231 10170 1 20 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.234 0.042 18231 10171 1 20 . 1 1 90 90 TRP H H 90 7.773 7.773 7.508 0.265 18231 10172 1 20 . 1 1 91 91 GLU N N 91 120.150 120.150 118.498 1.652 18231 10173 1 20 . 1 1 91 91 GLU HA H 91 4.057 4.057 3.830 0.227 18231 10174 1 20 . 1 1 91 91 GLU CA C 91 57.977 57.977 58.590 -0.613 18231 10175 1 20 . 1 1 91 91 GLU CB C 91 30.094 30.094 28.901 1.193 18231 10176 1 20 . 1 1 91 91 GLU H H 91 7.812 7.812 7.790 0.022 18231 10177 1 20 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.218 0.450 18231 10178 1 20 . 1 1 92 92 ASN C C 92 175.577 175.577 174.526 1.051 18231 10179 1 20 . 1 1 92 92 ASN CA C 92 52.806 52.806 54.861 -2.055 18231 10180 1 20 . 1 1 92 92 ASN CB C 92 38.795 38.795 39.031 -0.236 18231 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 84 2.438 0.112 2.450 18231 2 1 1 "Average Difference" HA 96 0.291 -0.024 0.291 18231 3 1 1 "Average Difference" C 78 3.125 1.407 2.809 18231 4 1 1 "Average Difference" CA 91 1.485 0.612 1.361 18231 5 1 1 "Average Difference" CB 86 1.875 -0.039 1.886 18231 6 1 1 "Average Difference" HN 84 0.660 -0.131 0.651 18231 7 1 2 "Average Difference" N 84 2.426 0.172 2.435 18231 8 1 2 "Average Difference" HA 96 0.304 -0.033 0.304 18231 9 1 2 "Average Difference" C 78 3.135 1.343 2.852 18231 10 1 2 "Average Difference" CA 91 1.426 0.596 1.303 18231 11 1 2 "Average Difference" CB 86 1.895 0.011 1.906 18231 12 1 2 "Average Difference" HN 84 0.648 -0.106 0.643 18231 13 1 3 "Average Difference" N 84 2.559 0.042 2.574 18231 14 1 3 "Average Difference" HA 96 0.311 -0.047 0.309 18231 15 1 3 "Average Difference" C 78 3.150 1.329 2.874 18231 16 1 3 "Average Difference" CA 91 1.464 0.641 1.324 18231 17 1 3 "Average Difference" CB 86 1.881 -0.046 1.892 18231 18 1 3 "Average Difference" HN 84 0.665 -0.137 0.655 18231 19 1 4 "Average Difference" N 84 2.355 0.247 2.356 18231 20 1 4 "Average Difference" HA 96 0.309 -0.036 0.308 18231 21 1 4 "Average Difference" C 78 3.143 1.376 2.844 18231 22 1 4 "Average Difference" CA 91 1.375 0.604 1.243 18231 23 1 4 "Average Difference" CB 86 1.871 0.001 1.882 18231 24 1 4 "Average Difference" HN 84 0.656 -0.108 0.651 18231 25 1 5 "Average Difference" N 84 2.322 0.195 2.328 18231 26 1 5 "Average Difference" HA 96 0.304 -0.019 0.305 18231 27 1 5 "Average Difference" C 78 3.143 1.414 2.825 18231 28 1 5 "Average Difference" CA 91 1.567 0.687 1.416 18231 29 1 5 "Average Difference" CB 86 1.833 0.037 1.843 18231 30 1 5 "Average Difference" HN 84 0.642 -0.113 0.636 18231 31 1 6 "Average Difference" N 84 2.460 0.121 2.472 18231 32 1 6 "Average Difference" HA 96 0.290 -0.039 0.289 18231 33 1 6 "Average Difference" C 78 3.174 1.429 2.852 18231 34 1 6 "Average Difference" CA 91 1.562 0.685 1.412 18231 35 1 6 "Average Difference" CB 86 1.840 -0.050 1.851 18231 36 1 6 "Average Difference" HN 84 0.653 -0.118 0.646 18231 37 1 7 "Average Difference" N 84 2.500 0.132 2.512 18231 38 1 7 "Average Difference" HA 96 0.312 -0.025 0.312 18231 39 1 7 "Average Difference" C 78 3.133 1.350 2.845 18231 40 1 7 "Average Difference" CA 91 1.439 0.582 1.323 18231 41 1 7 "Average Difference" CB 86 1.822 0.016 1.832 18231 42 1 7 "Average Difference" HN 84 0.663 -0.090 0.661 18231 43 1 8 "Average Difference" N 84 2.499 -0.047 2.514 18231 44 1 8 "Average Difference" HA 96 0.295 -0.022 0.296 18231 45 1 8 "Average Difference" C 78 3.165 1.387 2.864 18231 46 1 8 "Average Difference" CA 91 1.437 0.517 1.349 18231 47 1 8 "Average Difference" CB 86 1.788 0.021 1.798 18231 48 1 8 "Average Difference" HN 84 0.670 -0.128 0.662 18231 49 1 9 "Average Difference" N 84 2.374 -0.003 2.388 18231 50 1 9 "Average Difference" HA 96 0.326 -0.030 0.327 18231 51 1 9 "Average Difference" C 78 3.188 1.372 2.896 18231 52 1 9 "Average Difference" CA 91 1.412 0.595 1.288 18231 53 1 9 "Average Difference" CB 86 1.936 -0.043 1.947 18231 54 1 9 "Average Difference" HN 84 0.655 -0.121 0.648 18231 55 1 10 "Average Difference" N 84 2.615 0.009 2.630 18231 56 1 10 "Average Difference" HA 96 0.306 -0.032 0.306 18231 57 1 10 "Average Difference" C 78 3.201 1.375 2.909 18231 58 1 10 "Average Difference" CA 91 1.484 0.572 1.377 18231 59 1 10 "Average Difference" CB 86 1.810 -0.022 1.821 18231 60 1 10 "Average Difference" HN 84 0.629 -0.088 0.627 18231 61 1 11 "Average Difference" N 84 2.434 0.101 2.446 18231 62 1 11 "Average Difference" HA 96 0.318 -0.033 0.318 18231 63 1 11 "Average Difference" C 78 3.112 1.391 2.802 18231 64 1 11 "Average Difference" CA 91 1.457 0.601 1.335 18231 65 1 11 "Average Difference" CB 86 1.814 -0.011 1.824 18231 66 1 11 "Average Difference" HN 84 0.654 -0.121 0.646 18231 67 1 12 "Average Difference" N 84 2.450 -0.003 2.465 18231 68 1 12 "Average Difference" HA 96 0.312 -0.017 0.313 18231 69 1 12 "Average Difference" C 78 3.141 1.403 2.828 18231 70 1 12 "Average Difference" CA 91 1.493 0.564 1.390 18231 71 1 12 "Average Difference" CB 86 1.794 0.029 1.804 18231 72 1 12 "Average Difference" HN 84 0.655 -0.129 0.646 18231 73 1 13 "Average Difference" N 84 2.337 0.040 2.350 18231 74 1 13 "Average Difference" HA 96 0.304 -0.030 0.304 18231 75 1 13 "Average Difference" C 78 3.149 1.351 2.863 18231 76 1 13 "Average Difference" CA 91 1.431 0.590 1.311 18231 77 1 13 "Average Difference" CB 86 1.813 -0.009 1.823 18231 78 1 13 "Average Difference" HN 84 0.628 -0.086 0.626 18231 79 1 14 "Average Difference" N 84 2.576 0.135 2.588 18231 80 1 14 "Average Difference" HA 96 0.297 -0.049 0.295 18231 81 1 14 "Average Difference" C 78 3.153 1.349 2.869 18231 82 1 14 "Average Difference" CA 91 1.544 0.675 1.397 18231 83 1 14 "Average Difference" CB 86 1.840 0.021 1.850 18231 84 1 14 "Average Difference" HN 84 0.632 -0.071 0.632 18231 85 1 15 "Average Difference" N 84 2.607 0.017 2.622 18231 86 1 15 "Average Difference" HA 96 0.296 -0.042 0.295 18231 87 1 15 "Average Difference" C 78 3.126 1.355 2.835 18231 88 1 15 "Average Difference" CA 91 1.528 0.630 1.400 18231 89 1 15 "Average Difference" CB 86 1.784 -0.040 1.794 18231 90 1 15 "Average Difference" HN 84 0.630 -0.130 0.621 18231 91 1 16 "Average Difference" N 84 2.542 0.056 2.557 18231 92 1 16 "Average Difference" HA 96 0.309 -0.021 0.310 18231 93 1 16 "Average Difference" C 78 3.131 1.353 2.841 18231 94 1 16 "Average Difference" CA 91 1.422 0.611 1.291 18231 95 1 16 "Average Difference" CB 86 1.802 -0.006 1.812 18231 96 1 16 "Average Difference" HN 84 0.649 -0.117 0.643 18231 97 1 17 "Average Difference" N 84 2.601 0.070 2.616 18231 98 1 17 "Average Difference" HA 96 0.328 -0.039 0.327 18231 99 1 17 "Average Difference" C 78 3.140 1.390 2.834 18231 100 1 17 "Average Difference" CA 91 1.484 0.606 1.362 18231 101 1 17 "Average Difference" CB 86 1.835 -0.046 1.845 18231 102 1 17 "Average Difference" HN 84 0.636 -0.094 0.633 18231 103 1 18 "Average Difference" N 84 2.495 0.118 2.507 18231 104 1 18 "Average Difference" HA 96 0.327 -0.049 0.325 18231 105 1 18 "Average Difference" C 78 3.112 1.333 2.830 18231 106 1 18 "Average Difference" CA 91 1.513 0.596 1.398 18231 107 1 18 "Average Difference" CB 86 1.814 -0.051 1.824 18231 108 1 18 "Average Difference" HN 84 0.619 -0.112 0.612 18231 109 1 19 "Average Difference" N 84 2.491 0.029 2.506 18231 110 1 19 "Average Difference" HA 96 0.316 -0.019 0.317 18231 111 1 19 "Average Difference" C 78 3.122 1.370 2.824 18231 112 1 19 "Average Difference" CA 91 1.524 0.603 1.407 18231 113 1 19 "Average Difference" CB 86 1.807 -0.022 1.817 18231 114 1 19 "Average Difference" HN 84 0.662 -0.139 0.651 18231 115 1 20 "Average Difference" N 84 2.400 0.072 2.413 18231 116 1 20 "Average Difference" HA 96 0.299 -0.039 0.298 18231 117 1 20 "Average Difference" C 78 3.175 1.390 2.873 18231 118 1 20 "Average Difference" CA 91 1.477 0.655 1.331 18231 119 1 20 "Average Difference" CB 86 1.869 -0.013 1.880 18231 120 1 20 "Average Difference" HN 84 0.660 -0.127 0.651 18231 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 18231 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER N N 2 118.234 118.234 116.832 1.401 18231 2 1 . 1 1 2 2 SER HA H 2 4.750 4.750 4.587 0.163 18231 3 1 . 1 1 2 2 SER C C 2 178.105 178.105 175.533 2.572 18231 4 1 . 1 1 2 2 SER CA C 2 57.133 57.133 57.665 -0.532 18231 5 1 . 1 1 2 2 SER CB C 2 64.624 64.624 65.077 -0.453 18231 6 1 . 1 1 2 2 SER H H 2 9.007 9.007 8.358 0.649 18231 7 1 . 1 1 3 3 GLU N N 3 123.466 123.466 122.370 1.096 18231 8 1 . 1 1 3 3 GLU HA H 3 4.139 4.139 4.066 0.073 18231 9 1 . 1 1 3 3 GLU C C 3 173.854 173.854 178.701 -4.847 18231 10 1 . 1 1 3 3 GLU CA C 3 60.110 60.110 58.978 1.132 18231 11 1 . 1 1 3 3 GLU CB C 3 28.900 28.900 29.581 -0.681 18231 12 1 . 1 1 3 3 GLU H H 3 9.436 9.436 8.885 0.551 18231 13 1 . 1 1 4 4 LEU N N 4 119.878 119.878 119.168 0.710 18231 14 1 . 1 1 4 4 LEU HA H 4 4.086 4.086 4.024 0.062 18231 15 1 . 1 1 4 4 LEU CA C 4 57.909 57.909 57.509 0.400 18231 16 1 . 1 1 4 4 LEU CB C 4 41.405 41.405 41.471 -0.066 18231 17 1 . 1 1 4 4 LEU H H 4 8.891 8.891 8.005 0.886 18231 18 1 . 1 1 5 5 GLU HA H 5 4.011 4.011 4.030 -0.019 18231 19 1 . 1 1 5 5 GLU C C 5 173.709 173.709 178.693 -4.984 18231 20 1 . 1 1 5 5 GLU CA C 5 59.596 59.596 59.438 0.158 18231 21 1 . 1 1 5 5 GLU CB C 5 29.055 29.055 29.230 -0.175 18231 22 1 . 1 1 6 6 THR N N 6 116.614 116.614 116.206 0.408 18231 23 1 . 1 1 6 6 THR HA H 6 4.019 4.019 4.046 -0.027 18231 24 1 . 1 1 6 6 THR C C 6 176.965 176.965 176.220 0.745 18231 25 1 . 1 1 6 6 THR CA C 6 66.175 66.175 66.382 -0.207 18231 26 1 . 1 1 6 6 THR CB C 6 68.280 68.280 68.437 -0.157 18231 27 1 . 1 1 6 6 THR H H 6 8.316 8.316 7.509 0.807 18231 28 1 . 1 1 7 7 ALA N N 7 126.118 126.118 124.823 1.295 18231 29 1 . 1 1 7 7 ALA HA H 7 4.136 4.136 4.134 0.002 18231 30 1 . 1 1 7 7 ALA C C 7 173.544 173.544 179.690 -6.146 18231 31 1 . 1 1 7 7 ALA CA C 7 54.838 54.838 54.972 -0.134 18231 32 1 . 1 1 7 7 ALA CB C 7 17.450 17.450 18.253 -0.803 18231 33 1 . 1 1 7 7 ALA H H 7 8.167 8.167 7.563 0.604 18231 34 1 . 1 1 8 8 MET N N 8 117.610 117.610 117.245 0.365 18231 35 1 . 1 1 8 8 MET HA H 8 4.174 4.174 4.059 0.115 18231 36 1 . 1 1 8 8 MET C C 8 175.513 175.513 178.741 -3.228 18231 37 1 . 1 1 8 8 MET CA C 8 61.988 61.988 59.497 2.491 18231 38 1 . 1 1 8 8 MET CB C 8 26.277 26.277 32.491 -6.214 18231 39 1 . 1 1 8 8 MET H H 8 8.286 8.286 7.682 0.604 18231 40 1 . 1 1 9 9 GLU N N 9 117.751 117.751 118.697 -0.946 18231 41 1 . 1 1 9 9 GLU HA H 9 3.920 3.920 4.062 -0.142 18231 42 1 . 1 1 9 9 GLU C C 9 174.479 174.479 179.097 -4.618 18231 43 1 . 1 1 9 9 GLU CA C 9 59.419 59.419 59.456 -0.037 18231 44 1 . 1 1 9 9 GLU CB C 9 29.014 29.014 29.555 -0.541 18231 45 1 . 1 1 9 9 GLU H H 9 8.055 8.055 7.856 0.199 18231 46 1 . 1 1 10 10 THR N N 10 117.936 117.936 114.964 2.972 18231 47 1 . 1 1 10 10 THR HA H 10 4.083 4.083 4.099 -0.016 18231 48 1 . 1 1 10 10 THR C C 10 177.781 177.781 176.727 1.054 18231 49 1 . 1 1 10 10 THR CA C 10 66.869 66.869 66.195 0.674 18231 50 1 . 1 1 10 10 THR CB C 10 67.663 67.663 68.620 -0.957 18231 51 1 . 1 1 10 10 THR H H 10 8.398 8.398 8.302 0.096 18231 52 1 . 1 1 11 11 LEU N N 11 119.632 119.632 121.983 -2.351 18231 53 1 . 1 1 11 11 LEU HA H 11 3.956 3.956 4.321 -0.365 18231 54 1 . 1 1 11 11 LEU CA C 11 58.868 58.868 58.503 0.365 18231 55 1 . 1 1 11 11 LEU CB C 11 41.597 41.597 41.256 0.341 18231 56 1 . 1 1 11 11 LEU H H 11 8.134 8.134 7.571 0.563 18231 57 1 . 1 1 12 12 ILE N N 12 119.532 119.532 120.083 -0.551 18231 58 1 . 1 1 12 12 ILE HA H 12 3.968 3.968 3.211 0.757 18231 59 1 . 1 1 12 12 ILE C C 12 175.378 175.378 178.048 -2.670 18231 60 1 . 1 1 12 12 ILE CA C 12 65.372 65.372 65.605 -0.233 18231 61 1 . 1 1 12 12 ILE CB C 12 38.932 38.932 37.328 1.604 18231 62 1 . 1 1 12 12 ILE H H 12 7.751 7.751 7.704 0.047 18231 63 1 . 1 1 13 13 ASN N N 13 121.617 121.617 118.747 2.869 18231 64 1 . 1 1 13 13 ASN HA H 13 4.527 4.527 4.493 0.034 18231 65 1 . 1 1 13 13 ASN C C 13 174.457 174.457 177.796 -3.339 18231 66 1 . 1 1 13 13 ASN CA C 13 56.060 56.060 56.336 -0.276 18231 67 1 . 1 1 13 13 ASN CB C 13 37.657 37.657 38.351 -0.694 18231 68 1 . 1 1 13 13 ASN H H 13 9.012 9.012 8.397 0.615 18231 69 1 . 1 1 14 14 VAL N N 14 120.538 120.538 119.013 1.525 18231 70 1 . 1 1 14 14 VAL HA H 14 3.815 3.815 3.731 0.084 18231 71 1 . 1 1 14 14 VAL C C 14 176.194 176.194 177.768 -1.574 18231 72 1 . 1 1 14 14 VAL CA C 14 66.080 66.080 66.351 -0.271 18231 73 1 . 1 1 14 14 VAL CB C 14 31.571 31.571 31.420 0.151 18231 74 1 . 1 1 14 14 VAL H H 14 8.951 8.951 8.283 0.668 18231 75 1 . 1 1 15 15 PHE N N 15 117.397 117.397 121.841 -4.444 18231 76 1 . 1 1 15 15 PHE HA H 15 3.469 3.469 4.075 -0.606 18231 77 1 . 1 1 15 15 PHE C C 15 176.028 176.028 177.234 -1.206 18231 78 1 . 1 1 15 15 PHE CA C 15 62.163 62.163 62.263 -0.100 18231 79 1 . 1 1 15 15 PHE CB C 15 38.935 38.935 39.132 -0.197 18231 80 1 . 1 1 15 15 PHE H H 15 6.953 6.953 8.584 -1.631 18231 81 1 . 1 1 16 16 HIS N N 16 115.032 115.032 119.752 -4.720 18231 82 1 . 1 1 16 16 HIS HA H 16 4.836 4.836 4.157 0.679 18231 83 1 . 1 1 16 16 HIS C C 16 176.028 176.028 177.454 -1.426 18231 84 1 . 1 1 16 16 HIS CA C 16 58.017 58.017 59.117 -1.100 18231 85 1 . 1 1 16 16 HIS CB C 16 28.281 28.281 29.580 -1.299 18231 86 1 . 1 1 16 16 HIS H H 16 7.736 7.736 8.595 -0.859 18231 87 1 . 1 1 17 17 ALA N N 17 123.252 123.252 121.385 1.867 18231 88 1 . 1 1 17 17 ALA HA H 17 4.048 4.048 3.797 0.251 18231 89 1 . 1 1 17 17 ALA C C 17 174.507 174.507 179.715 -5.208 18231 90 1 . 1 1 17 17 ALA CA C 17 53.695 53.695 54.891 -1.196 18231 91 1 . 1 1 17 17 ALA CB C 17 17.354 17.354 17.973 -0.619 18231 92 1 . 1 1 17 17 ALA H H 17 8.070 8.070 8.128 -0.058 18231 93 1 . 1 1 18 18 HIS N N 18 113.812 113.812 116.969 -3.157 18231 94 1 . 1 1 18 18 HIS HA H 18 4.390 4.390 4.213 0.177 18231 95 1 . 1 1 18 18 HIS C C 18 177.747 177.747 178.452 -0.705 18231 96 1 . 1 1 18 18 HIS CA C 18 56.935 56.935 58.979 -2.044 18231 97 1 . 1 1 18 18 HIS CB C 18 32.140 32.140 29.637 2.503 18231 98 1 . 1 1 18 18 HIS H H 18 7.043 7.043 8.207 -1.164 18231 99 1 . 1 1 19 19 SER N N 19 113.634 113.634 115.654 -2.020 18231 100 1 . 1 1 19 19 SER HA H 19 3.673 3.673 4.185 -0.512 18231 101 1 . 1 1 19 19 SER C C 19 176.511 176.511 176.928 -0.417 18231 102 1 . 1 1 19 19 SER CA C 19 60.926 60.926 60.790 0.136 18231 103 1 . 1 1 19 19 SER CB C 19 60.919 60.919 62.582 -1.663 18231 104 1 . 1 1 19 19 SER H H 19 8.489 8.489 8.218 0.271 18231 105 1 . 1 1 20 20 GLY N N 20 111.572 111.572 109.027 2.545 18231 106 1 . 1 1 20 20 GLY C C 20 179.798 179.798 175.563 4.235 18231 107 1 . 1 1 20 20 GLY CA C 20 45.092 45.092 46.392 -1.300 18231 108 1 . 1 1 20 20 GLY H H 20 7.734 7.734 8.217 -0.483 18231 109 1 . 1 1 21 21 LYS N N 21 122.204 122.204 121.300 0.904 18231 110 1 . 1 1 21 21 LYS HA H 21 3.924 3.924 4.040 -0.116 18231 111 1 . 1 1 21 21 LYS C C 21 176.162 176.162 177.330 -1.168 18231 112 1 . 1 1 21 21 LYS CA C 21 59.096 59.096 58.684 0.412 18231 113 1 . 1 1 21 21 LYS CB C 21 31.900 31.900 32.624 -0.724 18231 114 1 . 1 1 21 21 LYS H H 21 7.196 7.196 7.681 -0.485 18231 115 1 . 1 1 22 22 GLU N N 22 115.840 115.840 117.903 -2.063 18231 116 1 . 1 1 22 22 GLU HA H 22 4.667 4.667 4.469 0.198 18231 117 1 . 1 1 22 22 GLU C C 22 176.511 176.511 176.236 0.275 18231 118 1 . 1 1 22 22 GLU CA C 22 53.781 53.781 55.130 -1.349 18231 119 1 . 1 1 22 22 GLU CB C 22 32.641 32.641 29.141 3.500 18231 120 1 . 1 1 22 22 GLU H H 22 9.363 9.363 7.699 1.664 18231 121 1 . 1 1 23 23 GLY N N 23 111.558 111.558 110.470 1.088 18231 122 1 . 1 1 23 23 GLY CA C 23 45.500 45.500 45.447 0.054 18231 123 1 . 1 1 23 23 GLY H H 23 7.710 7.710 8.051 -0.341 18231 124 1 . 1 1 24 24 ASP HA H 24 4.408 4.408 4.400 0.008 18231 125 1 . 1 1 24 24 ASP C C 24 173.495 173.495 176.993 -3.498 18231 126 1 . 1 1 24 24 ASP CA C 24 54.717 54.717 54.876 -0.159 18231 127 1 . 1 1 24 24 ASP CB C 24 42.060 42.060 39.603 2.457 18231 128 1 . 1 1 25 25 LYS HA H 25 4.287 4.287 3.894 0.393 18231 129 1 . 1 1 25 25 LYS CA C 25 57.529 57.529 59.170 -1.641 18231 130 1 . 1 1 25 25 LYS CB C 25 30.909 30.909 32.383 -1.474 18231 131 1 . 1 1 26 26 TYR N N 26 119.467 119.467 114.965 4.502 18231 132 1 . 1 1 26 26 TYR HA H 26 4.711 4.711 4.534 0.177 18231 133 1 . 1 1 26 26 TYR C C 26 179.682 179.682 175.945 3.737 18231 134 1 . 1 1 26 26 TYR CA C 26 55.824 55.824 59.356 -3.532 18231 135 1 . 1 1 26 26 TYR CB C 26 37.671 37.671 38.390 -0.719 18231 136 1 . 1 1 26 26 TYR H H 26 9.377 9.377 8.309 1.068 18231 137 1 . 1 1 27 27 LYS N N 27 114.770 114.770 118.561 -3.791 18231 138 1 . 1 1 27 27 LYS HA H 27 5.122 5.122 4.676 0.446 18231 139 1 . 1 1 27 27 LYS C C 27 178.721 178.721 175.090 3.631 18231 140 1 . 1 1 27 27 LYS CA C 27 54.727 54.727 54.818 -0.091 18231 141 1 . 1 1 27 27 LYS CB C 27 38.489 38.489 35.392 3.097 18231 142 1 . 1 1 27 27 LYS H H 27 7.100 7.100 7.648 -0.548 18231 143 1 . 1 1 28 28 LEU N N 28 125.858 125.858 126.639 -0.781 18231 144 1 . 1 1 28 28 LEU HA H 28 5.183 5.183 4.962 0.221 18231 145 1 . 1 1 28 28 LEU C C 28 177.490 177.490 175.694 1.796 18231 146 1 . 1 1 28 28 LEU CA C 28 52.333 52.333 53.563 -1.230 18231 147 1 . 1 1 28 28 LEU CB C 28 42.586 42.586 44.869 -2.283 18231 148 1 . 1 1 28 28 LEU H H 28 9.750 9.750 8.353 1.397 18231 149 1 . 1 1 29 29 SER N N 29 120.926 120.926 119.517 1.409 18231 150 1 . 1 1 29 29 SER HA H 29 4.560 4.560 4.778 -0.218 18231 151 1 . 1 1 29 29 SER C C 29 178.943 178.943 175.248 3.695 18231 152 1 . 1 1 29 29 SER CA C 29 55.907 55.907 56.467 -0.560 18231 153 1 . 1 1 29 29 SER CB C 29 65.035 65.035 65.561 -0.526 18231 154 1 . 1 1 29 29 SER H H 29 9.907 9.907 8.558 1.349 18231 155 1 . 1 1 30 30 LYS N N 30 120.263 120.263 125.095 -4.832 18231 156 1 . 1 1 30 30 LYS HA H 30 3.851 3.851 3.926 -0.075 18231 157 1 . 1 1 30 30 LYS C C 30 175.519 175.519 178.388 -2.869 18231 158 1 . 1 1 30 30 LYS CA C 30 60.660 60.660 60.497 0.163 18231 159 1 . 1 1 30 30 LYS CB C 30 31.738 31.738 32.308 -0.570 18231 160 1 . 1 1 30 30 LYS H H 30 8.838 8.838 8.988 -0.150 18231 161 1 . 1 1 31 31 LYS N N 31 118.292 118.292 117.730 0.562 18231 162 1 . 1 1 31 31 LYS HA H 31 3.922 3.922 4.016 -0.094 18231 163 1 . 1 1 31 31 LYS C C 31 174.664 174.664 179.137 -4.473 18231 164 1 . 1 1 31 31 LYS CA C 31 59.298 59.298 59.563 -0.265 18231 165 1 . 1 1 31 31 LYS CB C 31 32.665 32.665 32.043 0.622 18231 166 1 . 1 1 31 31 LYS H H 31 7.903 7.903 8.183 -0.280 18231 167 1 . 1 1 32 32 GLU N N 32 119.243 119.243 118.977 0.266 18231 168 1 . 1 1 32 32 GLU HA H 32 3.907 3.907 4.011 -0.104 18231 169 1 . 1 1 32 32 GLU C C 32 174.836 174.836 178.943 -4.107 18231 170 1 . 1 1 32 32 GLU CA C 32 58.316 58.316 59.100 -0.784 18231 171 1 . 1 1 32 32 GLU CB C 32 30.877 30.877 29.571 1.306 18231 172 1 . 1 1 32 32 GLU H H 32 7.499 7.499 7.660 -0.161 18231 173 1 . 1 1 33 33 LEU N N 33 119.432 119.432 119.761 -0.329 18231 174 1 . 1 1 33 33 LEU HA H 33 3.918 3.918 4.076 -0.158 18231 175 1 . 1 1 33 33 LEU C C 33 175.740 175.740 177.981 -2.241 18231 176 1 . 1 1 33 33 LEU CA C 33 57.269 57.269 57.516 -0.247 18231 177 1 . 1 1 33 33 LEU CB C 33 40.981 40.981 41.401 -0.420 18231 178 1 . 1 1 33 33 LEU H H 33 9.062 9.062 8.316 0.746 18231 179 1 . 1 1 34 34 LYS N N 34 119.090 119.090 120.245 -1.155 18231 180 1 . 1 1 34 34 LYS HA H 34 3.654 3.654 3.844 -0.190 18231 181 1 . 1 1 34 34 LYS C C 34 175.916 175.916 178.414 -2.498 18231 182 1 . 1 1 34 34 LYS CA C 34 60.284 60.284 60.164 0.120 18231 183 1 . 1 1 34 34 LYS CB C 34 31.400 31.400 32.113 -0.713 18231 184 1 . 1 1 34 34 LYS H H 34 8.236 8.236 8.452 -0.216 18231 185 1 . 1 1 35 35 GLU N N 35 117.482 117.482 118.900 -1.418 18231 186 1 . 1 1 35 35 GLU HA H 35 3.997 3.997 4.005 -0.008 18231 187 1 . 1 1 35 35 GLU C C 35 174.549 174.549 178.678 -4.129 18231 188 1 . 1 1 35 35 GLU CA C 35 59.229 59.229 59.295 -0.066 18231 189 1 . 1 1 35 35 GLU CB C 35 28.833 28.833 29.210 -0.377 18231 190 1 . 1 1 35 35 GLU H H 35 7.734 7.734 7.645 0.089 18231 191 1 . 1 1 36 36 LEU N N 36 124.601 124.601 119.716 4.885 18231 192 1 . 1 1 36 36 LEU HA H 36 2.688 2.688 3.910 -1.222 18231 193 1 . 1 1 36 36 LEU C C 36 174.780 174.780 179.093 -4.313 18231 194 1 . 1 1 36 36 LEU CA C 36 59.327 59.327 57.801 1.526 18231 195 1 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.109 0.525 18231 196 1 . 1 1 36 36 LEU H H 36 8.308 8.308 7.473 0.835 18231 197 1 . 1 1 37 37 LEU N N 37 118.901 118.901 118.903 -0.002 18231 198 1 . 1 1 37 37 LEU HA H 37 3.733 3.733 3.971 -0.238 18231 199 1 . 1 1 37 37 LEU C C 37 174.771 174.771 179.458 -4.687 18231 200 1 . 1 1 37 37 LEU CA C 37 57.913 57.913 57.961 -0.048 18231 201 1 . 1 1 37 37 LEU CB C 37 41.286 41.286 41.308 -0.022 18231 202 1 . 1 1 37 37 LEU H H 37 8.663 8.663 8.361 0.302 18231 203 1 . 1 1 38 38 GLN N N 38 114.582 114.582 118.528 -3.946 18231 204 1 . 1 1 38 38 GLN HA H 38 3.957 3.957 4.021 -0.064 18231 205 1 . 1 1 38 38 GLN C C 38 175.747 175.747 177.709 -1.962 18231 206 1 . 1 1 38 38 GLN CA C 38 58.171 58.171 58.915 -0.744 18231 207 1 . 1 1 38 38 GLN CB C 38 28.629 28.629 28.888 -0.259 18231 208 1 . 1 1 38 38 GLN H H 38 8.507 8.507 8.241 0.266 18231 209 1 . 1 1 39 39 THR N N 39 110.227 110.227 113.553 -3.326 18231 210 1 . 1 1 39 39 THR HA H 39 4.252 4.252 3.866 0.386 18231 211 1 . 1 1 39 39 THR C C 39 176.966 176.966 176.001 0.965 18231 212 1 . 1 1 39 39 THR CA C 39 64.485 64.485 65.459 -0.974 18231 213 1 . 1 1 39 39 THR CB C 39 69.254 69.254 68.851 0.403 18231 214 1 . 1 1 39 39 THR H H 39 7.845 7.845 7.916 -0.071 18231 215 1 . 1 1 40 40 GLU N N 40 117.400 117.400 119.823 -2.423 18231 216 1 . 1 1 40 40 GLU HA H 40 4.150 4.150 4.173 -0.023 18231 217 1 . 1 1 40 40 GLU C C 40 177.343 177.343 176.904 0.439 18231 218 1 . 1 1 40 40 GLU CA C 40 56.569 56.569 58.330 -1.761 18231 219 1 . 1 1 40 40 GLU CB C 40 29.581 29.581 30.184 -0.603 18231 220 1 . 1 1 40 40 GLU H H 40 8.460 8.460 8.026 0.434 18231 221 1 . 1 1 41 41 LEU HA H 41 5.027 5.027 4.619 0.408 18231 222 1 . 1 1 41 41 LEU C C 41 176.458 176.458 177.958 -1.500 18231 223 1 . 1 1 41 41 LEU CA C 41 52.435 52.435 53.804 -1.369 18231 224 1 . 1 1 41 41 LEU CB C 41 43.307 43.307 42.529 0.778 18231 225 1 . 1 1 42 42 SER N N 42 116.528 116.528 120.668 -4.140 18231 226 1 . 1 1 42 42 SER HA H 42 4.062 4.062 4.438 -0.376 18231 227 1 . 1 1 42 42 SER CA C 42 61.213 61.213 61.499 -0.286 18231 228 1 . 1 1 42 42 SER CB C 42 62.378 62.378 62.919 -0.541 18231 229 1 . 1 1 42 42 SER H H 42 8.246 8.246 9.052 -0.806 18231 230 1 . 1 1 43 43 GLY N N 43 111.367 111.367 109.039 2.328 18231 231 1 . 1 1 43 43 GLY C C 43 177.750 177.750 175.754 1.996 18231 232 1 . 1 1 43 43 GLY CA C 43 45.738 45.738 46.298 -0.560 18231 233 1 . 1 1 43 43 GLY H H 43 8.850 8.850 8.616 0.234 18231 234 1 . 1 1 44 44 PHE N N 44 122.213 122.213 121.351 0.862 18231 235 1 . 1 1 44 44 PHE HA H 44 4.363 4.363 4.113 0.250 18231 236 1 . 1 1 44 44 PHE C C 44 176.428 176.428 177.082 -0.654 18231 237 1 . 1 1 44 44 PHE CA C 44 59.513 59.513 59.575 -0.062 18231 238 1 . 1 1 44 44 PHE CB C 44 39.332 39.332 38.169 1.163 18231 239 1 . 1 1 44 44 PHE H H 44 7.936 7.936 8.051 -0.115 18231 240 1 . 1 1 45 45 LEU N N 45 119.395 119.395 120.453 -1.058 18231 241 1 . 1 1 45 45 LEU HA H 45 4.031 4.031 3.388 0.644 18231 242 1 . 1 1 45 45 LEU C C 45 177.212 177.212 178.935 -1.723 18231 243 1 . 1 1 45 45 LEU CA C 45 57.368 57.368 57.106 0.262 18231 244 1 . 1 1 45 45 LEU CB C 45 40.041 40.041 40.429 -0.388 18231 245 1 . 1 1 45 45 LEU H H 45 8.133 8.133 6.680 1.453 18231 246 1 . 1 1 46 46 ASP N N 46 117.384 117.384 118.237 -0.854 18231 247 1 . 1 1 46 46 ASP HA H 46 4.382 4.382 4.429 -0.047 18231 248 1 . 1 1 46 46 ASP C C 46 176.684 176.684 177.864 -1.180 18231 249 1 . 1 1 46 46 ASP CA C 46 55.312 55.312 56.170 -0.858 18231 250 1 . 1 1 46 46 ASP CB C 46 40.540 40.540 40.079 0.461 18231 251 1 . 1 1 46 46 ASP H H 46 8.139 8.139 8.335 -0.196 18231 252 1 . 1 1 47 47 ALA N N 47 121.052 121.052 122.280 -1.228 18231 253 1 . 1 1 47 47 ALA HA H 47 4.164 4.164 4.079 0.086 18231 254 1 . 1 1 47 47 ALA CA C 47 52.545 52.545 54.634 -2.089 18231 255 1 . 1 1 47 47 ALA CB C 47 18.349 18.349 18.511 -0.162 18231 256 1 . 1 1 47 47 ALA H H 47 7.637 7.637 7.773 -0.136 18231 257 1 . 1 1 48 48 GLN N N 48 116.271 116.271 117.224 -0.953 18231 258 1 . 1 1 48 48 GLN HA H 48 4.140 4.140 4.028 0.112 18231 259 1 . 1 1 48 48 GLN CA C 48 54.979 54.979 58.180 -3.201 18231 260 1 . 1 1 48 48 GLN CB C 48 28.071 28.071 28.556 -0.485 18231 261 1 . 1 1 48 48 GLN H H 48 7.661 7.661 7.898 -0.236 18231 262 1 . 1 1 49 49 LYS HA H 49 4.129 4.129 4.143 -0.014 18231 263 1 . 1 1 49 49 LYS C C 49 177.345 177.345 176.639 0.706 18231 264 1 . 1 1 49 49 LYS CA C 49 56.247 56.247 57.655 -1.408 18231 265 1 . 1 1 49 49 LYS CB C 49 31.780 31.780 32.777 -0.997 18231 266 1 . 1 1 50 50 ASP N N 50 118.526 118.526 119.573 -1.047 18231 267 1 . 1 1 50 50 ASP HA H 50 4.657 4.657 4.625 0.032 18231 268 1 . 1 1 50 50 ASP C C 50 177.422 177.422 176.852 0.570 18231 269 1 . 1 1 50 50 ASP CA C 50 53.834 53.834 54.210 -0.376 18231 270 1 . 1 1 50 50 ASP CB C 50 41.689 41.689 40.390 1.299 18231 271 1 . 1 1 50 50 ASP H H 50 7.975 7.975 8.187 -0.212 18231 272 1 . 1 1 51 51 VAL N N 51 120.868 120.868 121.080 -0.212 18231 273 1 . 1 1 51 51 VAL HA H 51 3.980 3.980 3.747 0.233 18231 274 1 . 1 1 51 51 VAL C C 51 177.212 177.212 176.834 0.378 18231 275 1 . 1 1 51 51 VAL CA C 51 63.349 63.349 65.514 -2.165 18231 276 1 . 1 1 51 51 VAL CB C 51 31.736 31.736 32.015 -0.279 18231 277 1 . 1 1 51 51 VAL H H 51 8.225 8.225 8.147 0.078 18231 278 1 . 1 1 52 52 ASP N N 52 121.054 121.054 120.424 0.630 18231 279 1 . 1 1 52 52 ASP HA H 52 4.778 4.778 4.313 0.465 18231 280 1 . 1 1 52 52 ASP C C 52 176.912 176.912 177.885 -0.973 18231 281 1 . 1 1 52 52 ASP CA C 52 53.389 53.389 57.167 -3.778 18231 282 1 . 1 1 52 52 ASP CB C 52 40.072 40.072 39.954 0.118 18231 283 1 . 1 1 52 52 ASP H H 52 8.403 8.403 8.356 0.047 18231 284 1 . 1 1 53 53 ALA N N 53 123.449 123.449 122.236 1.213 18231 285 1 . 1 1 53 53 ALA HA H 53 3.937 3.937 4.079 -0.142 18231 286 1 . 1 1 53 53 ALA C C 53 174.124 174.124 179.423 -5.299 18231 287 1 . 1 1 53 53 ALA CA C 53 54.963 54.963 54.852 0.111 18231 288 1 . 1 1 53 53 ALA CB C 53 18.873 18.873 18.307 0.566 18231 289 1 . 1 1 53 53 ALA H H 53 7.757 7.757 7.930 -0.173 18231 290 1 . 1 1 54 54 VAL N N 54 116.105 116.105 117.330 -1.225 18231 291 1 . 1 1 54 54 VAL HA H 54 3.458 3.458 3.597 -0.139 18231 292 1 . 1 1 54 54 VAL C C 54 176.953 176.953 177.454 -0.501 18231 293 1 . 1 1 54 54 VAL CA C 54 65.895 65.895 66.521 -0.626 18231 294 1 . 1 1 54 54 VAL CB C 54 30.580 30.580 31.165 -0.585 18231 295 1 . 1 1 54 54 VAL H H 54 8.281 8.281 8.053 0.228 18231 296 1 . 1 1 55 55 ASP N N 55 120.466 120.466 120.288 0.178 18231 297 1 . 1 1 55 55 ASP HA H 55 4.165 4.165 4.387 -0.222 18231 298 1 . 1 1 55 55 ASP C C 55 174.997 174.997 178.563 -3.566 18231 299 1 . 1 1 55 55 ASP CA C 55 57.200 57.200 57.410 -0.210 18231 300 1 . 1 1 55 55 ASP CB C 55 40.520 40.520 40.243 0.277 18231 301 1 . 1 1 55 55 ASP H H 55 7.667 7.667 8.170 -0.503 18231 302 1 . 1 1 56 56 LYS N N 56 119.065 119.065 119.816 -0.751 18231 303 1 . 1 1 56 56 LYS HA H 56 3.979 3.979 4.049 -0.070 18231 304 1 . 1 1 56 56 LYS C C 56 174.602 174.602 179.180 -4.578 18231 305 1 . 1 1 56 56 LYS CA C 56 58.545 58.545 59.307 -0.762 18231 306 1 . 1 1 56 56 LYS CB C 56 31.600 31.600 32.496 -0.896 18231 307 1 . 1 1 56 56 LYS H H 56 7.628 7.628 7.364 0.264 18231 308 1 . 1 1 57 57 VAL N N 57 119.756 119.756 119.966 -0.210 18231 309 1 . 1 1 57 57 VAL HA H 57 3.727 3.727 3.694 0.033 18231 310 1 . 1 1 57 57 VAL C C 57 175.782 175.782 178.117 -2.335 18231 311 1 . 1 1 57 57 VAL CA C 57 65.599 65.599 66.368 -0.769 18231 312 1 . 1 1 57 57 VAL CB C 57 31.247 31.247 31.776 -0.529 18231 313 1 . 1 1 57 57 VAL H H 57 7.920 7.920 8.143 -0.223 18231 314 1 . 1 1 58 58 MET N N 58 118.541 118.541 119.410 -0.869 18231 315 1 . 1 1 58 58 MET HA H 58 3.936 3.936 4.095 -0.159 18231 316 1 . 1 1 58 58 MET C C 58 176.330 176.330 177.492 -1.162 18231 317 1 . 1 1 58 58 MET CA C 58 58.620 58.620 58.689 -0.069 18231 318 1 . 1 1 58 58 MET CB C 58 32.002 32.002 32.215 -0.213 18231 319 1 . 1 1 58 58 MET H H 58 8.426 8.426 8.400 0.026 18231 320 1 . 1 1 59 59 LYS N N 59 116.084 116.084 118.569 -2.485 18231 321 1 . 1 1 59 59 LYS HA H 59 3.936 3.936 3.949 -0.013 18231 322 1 . 1 1 59 59 LYS C C 59 176.918 176.918 178.263 -1.345 18231 323 1 . 1 1 59 59 LYS CA C 59 58.674 58.674 59.496 -0.822 18231 324 1 . 1 1 59 59 LYS CB C 59 32.602 32.602 32.060 0.542 18231 325 1 . 1 1 59 59 LYS H H 59 7.623 7.623 7.810 -0.187 18231 326 1 . 1 1 60 60 GLU N N 60 117.227 117.227 117.163 0.064 18231 327 1 . 1 1 60 60 GLU HA H 60 4.055 4.055 4.117 -0.062 18231 328 1 . 1 1 60 60 GLU C C 60 175.146 175.146 178.457 -3.311 18231 329 1 . 1 1 60 60 GLU CA C 60 58.031 58.031 58.318 -0.287 18231 330 1 . 1 1 60 60 GLU CB C 60 29.315 29.315 29.610 -0.295 18231 331 1 . 1 1 60 60 GLU H H 60 7.592 7.592 7.631 -0.039 18231 332 1 . 1 1 61 61 LEU N N 61 116.051 116.051 118.519 -2.468 18231 333 1 . 1 1 61 61 LEU HA H 61 4.363 4.363 4.151 0.212 18231 334 1 . 1 1 61 61 LEU CA C 61 54.859 54.859 56.831 -1.972 18231 335 1 . 1 1 61 61 LEU CB C 61 43.577 43.577 42.398 1.179 18231 336 1 . 1 1 61 61 LEU H H 61 8.045 8.045 7.357 0.688 18231 337 1 . 1 1 62 62 ASP N N 62 116.891 116.891 117.486 -0.595 18231 338 1 . 1 1 62 62 ASP HA H 62 4.700 4.700 4.930 -0.230 18231 339 1 . 1 1 62 62 ASP C C 62 176.806 176.806 176.591 0.215 18231 340 1 . 1 1 62 62 ASP CA C 62 53.116 53.116 53.539 -0.423 18231 341 1 . 1 1 62 62 ASP CB C 62 38.651 38.651 39.925 -1.274 18231 342 1 . 1 1 62 62 ASP H H 62 8.008 8.008 8.064 -0.056 18231 343 1 . 1 1 63 63 GLU N N 63 129.185 129.185 125.497 3.688 18231 344 1 . 1 1 63 63 GLU HA H 63 4.054 4.054 4.061 -0.007 18231 345 1 . 1 1 63 63 GLU C C 63 175.826 175.826 177.546 -1.720 18231 346 1 . 1 1 63 63 GLU CA C 63 58.318 58.318 58.733 -0.415 18231 347 1 . 1 1 63 63 GLU CB C 63 30.218 30.218 29.945 0.273 18231 348 1 . 1 1 63 63 GLU H H 63 8.347 8.347 8.317 0.030 18231 349 1 . 1 1 64 64 ASN N N 64 112.618 112.618 115.414 -2.796 18231 350 1 . 1 1 64 64 ASN HA H 64 4.748 4.748 4.640 0.108 18231 351 1 . 1 1 64 64 ASN C C 64 176.855 176.855 176.132 0.723 18231 352 1 . 1 1 64 64 ASN CA C 64 51.626 51.626 53.179 -1.553 18231 353 1 . 1 1 64 64 ASN CB C 64 36.873 36.873 38.484 -1.611 18231 354 1 . 1 1 64 64 ASN H H 64 7.978 7.978 8.012 -0.034 18231 355 1 . 1 1 65 65 GLY N N 65 109.111 109.111 108.111 1.000 18231 356 1 . 1 1 65 65 GLY C C 65 178.426 178.426 174.912 3.514 18231 357 1 . 1 1 65 65 GLY CA C 65 47.039 47.039 45.947 1.092 18231 358 1 . 1 1 65 65 GLY H H 65 7.543 7.543 8.062 -0.519 18231 359 1 . 1 1 66 66 ASP N N 66 119.205 119.205 120.327 -1.122 18231 360 1 . 1 1 66 66 ASP HA H 66 4.541 4.541 4.425 0.116 18231 361 1 . 1 1 66 66 ASP C C 66 176.015 176.015 177.814 -1.799 18231 362 1 . 1 1 66 66 ASP CA C 66 52.839 52.839 54.525 -1.686 18231 363 1 . 1 1 66 66 ASP CB C 66 39.876 39.876 40.976 -1.100 18231 364 1 . 1 1 66 66 ASP H H 66 8.113 8.113 8.232 -0.119 18231 365 1 . 1 1 67 67 GLY N N 67 113.254 113.254 108.193 5.061 18231 366 1 . 1 1 67 67 GLY C C 67 180.780 180.780 173.598 7.181 18231 367 1 . 1 1 67 67 GLY CA C 67 45.213 45.213 45.005 0.209 18231 368 1 . 1 1 67 67 GLY H H 67 10.267 10.267 9.007 1.260 18231 369 1 . 1 1 68 68 GLU N N 68 116.975 116.975 119.313 -2.338 18231 370 1 . 1 1 68 68 GLU HA H 68 4.810 4.810 4.668 0.142 18231 371 1 . 1 1 68 68 GLU C C 68 178.130 178.130 174.697 3.433 18231 372 1 . 1 1 68 68 GLU CA C 68 54.130 54.130 54.733 -0.603 18231 373 1 . 1 1 68 68 GLU CB C 68 35.752 35.752 33.420 2.332 18231 374 1 . 1 1 68 68 GLU H H 68 7.714 7.714 8.692 -0.978 18231 375 1 . 1 1 69 69 VAL N N 69 125.146 125.146 121.279 3.867 18231 376 1 . 1 1 69 69 VAL HA H 69 5.249 5.249 4.713 0.536 18231 377 1 . 1 1 69 69 VAL C C 69 177.413 177.413 174.980 2.433 18231 378 1 . 1 1 69 69 VAL CA C 69 60.702 60.702 61.032 -0.330 18231 379 1 . 1 1 69 69 VAL CB C 69 33.487 33.487 33.280 0.207 18231 380 1 . 1 1 69 69 VAL H H 69 9.389 9.389 8.004 1.385 18231 381 1 . 1 1 70 70 ASP N N 70 129.202 129.202 125.128 4.074 18231 382 1 . 1 1 70 70 ASP HA H 70 5.169 5.169 5.055 0.114 18231 383 1 . 1 1 70 70 ASP C C 70 178.332 178.332 176.937 1.395 18231 384 1 . 1 1 70 70 ASP CA C 70 52.145 52.145 51.820 0.325 18231 385 1 . 1 1 70 70 ASP CB C 70 41.097 41.097 44.098 -3.001 18231 386 1 . 1 1 70 70 ASP H H 70 9.109 9.109 8.548 0.561 18231 387 1 . 1 1 71 71 PHE N N 71 118.298 118.298 124.313 -6.015 18231 388 1 . 1 1 71 71 PHE HA H 71 2.927 2.927 3.768 -0.841 18231 389 1 . 1 1 71 71 PHE C C 71 176.763 176.763 176.712 0.051 18231 390 1 . 1 1 71 71 PHE CA C 71 63.051 63.051 61.852 1.199 18231 391 1 . 1 1 71 71 PHE CB C 71 38.989 38.989 38.926 0.063 18231 392 1 . 1 1 71 71 PHE H H 71 8.938 8.938 8.827 0.111 18231 393 1 . 1 1 72 72 GLN N N 72 116.762 116.762 117.322 -0.560 18231 394 1 . 1 1 72 72 GLN HA H 72 3.694 3.694 3.764 -0.070 18231 395 1 . 1 1 72 72 GLN C C 72 175.208 175.208 178.263 -3.055 18231 396 1 . 1 1 72 72 GLN CA C 72 59.219 59.219 59.556 -0.337 18231 397 1 . 1 1 72 72 GLN CB C 72 27.806 27.806 28.123 -0.317 18231 398 1 . 1 1 72 72 GLN H H 72 7.997 7.997 8.770 -0.773 18231 399 1 . 1 1 73 73 GLU N N 73 120.146 120.146 120.146 0.000 18231 400 1 . 1 1 73 73 GLU HA H 73 4.096 4.096 3.991 0.105 18231 401 1 . 1 1 73 73 GLU C C 73 174.746 174.746 178.746 -4.000 18231 402 1 . 1 1 73 73 GLU CA C 73 58.104 58.104 59.375 -1.271 18231 403 1 . 1 1 73 73 GLU CB C 73 29.846 29.846 29.572 0.274 18231 404 1 . 1 1 73 73 GLU H H 73 8.289 8.289 7.671 0.618 18231 405 1 . 1 1 74 74 TYR N N 74 121.506 121.506 121.423 0.083 18231 406 1 . 1 1 74 74 TYR HA H 74 4.113 4.113 4.125 -0.012 18231 407 1 . 1 1 74 74 TYR C C 74 176.925 176.925 177.516 -0.591 18231 408 1 . 1 1 74 74 TYR CA C 74 59.101 59.101 61.271 -2.170 18231 409 1 . 1 1 74 74 TYR CB C 74 37.372 37.372 38.586 -1.214 18231 410 1 . 1 1 74 74 TYR H H 74 8.324 8.324 8.431 -0.107 18231 411 1 . 1 1 75 75 VAL N N 75 120.725 120.725 117.493 3.232 18231 412 1 . 1 1 75 75 VAL HA H 75 2.873 2.873 3.187 -0.314 18231 413 1 . 1 1 75 75 VAL C C 75 176.738 176.738 177.575 -0.837 18231 414 1 . 1 1 75 75 VAL CA C 75 65.880 65.880 66.317 -0.437 18231 415 1 . 1 1 75 75 VAL CB C 75 31.000 31.000 30.788 0.212 18231 416 1 . 1 1 75 75 VAL H H 75 8.074 8.074 8.169 -0.095 18231 417 1 . 1 1 76 76 VAL N N 76 120.118 120.118 120.215 -0.097 18231 418 1 . 1 1 76 76 VAL HA H 76 3.420 3.420 3.547 -0.127 18231 419 1 . 1 1 76 76 VAL C C 76 174.620 174.620 178.062 -3.442 18231 420 1 . 1 1 76 76 VAL CA C 76 66.409 66.409 66.352 0.057 18231 421 1 . 1 1 76 76 VAL CB C 76 30.776 30.776 31.198 -0.422 18231 422 1 . 1 1 76 76 VAL H H 76 7.119 7.119 7.285 -0.166 18231 423 1 . 1 1 77 77 LEU N N 77 120.709 120.709 120.874 -0.165 18231 424 1 . 1 1 77 77 LEU HA H 77 4.030 4.030 4.011 0.018 18231 425 1 . 1 1 77 77 LEU C C 77 175.943 175.943 178.562 -2.619 18231 426 1 . 1 1 77 77 LEU CA C 77 56.940 56.940 58.200 -1.260 18231 427 1 . 1 1 77 77 LEU CB C 77 41.108 41.108 41.878 -0.770 18231 428 1 . 1 1 77 77 LEU H H 77 6.865 6.865 7.961 -1.096 18231 429 1 . 1 1 78 78 VAL N N 78 116.930 116.930 115.858 1.072 18231 430 1 . 1 1 78 78 VAL HA H 78 3.140 3.140 3.616 -0.476 18231 431 1 . 1 1 78 78 VAL C C 78 174.150 174.150 177.456 -3.306 18231 432 1 . 1 1 78 78 VAL CA C 78 66.378 66.378 65.448 0.930 18231 433 1 . 1 1 78 78 VAL CB C 78 30.229 30.229 30.547 -0.318 18231 434 1 . 1 1 78 78 VAL H H 78 7.539 7.539 8.003 -0.464 18231 435 1 . 1 1 79 79 ALA N N 79 124.551 124.551 122.684 1.866 18231 436 1 . 1 1 79 79 ALA HA H 79 3.692 3.692 3.909 -0.217 18231 437 1 . 1 1 79 79 ALA C C 79 175.111 175.111 179.203 -4.091 18231 438 1 . 1 1 79 79 ALA CA C 79 55.492 55.492 55.197 0.295 18231 439 1 . 1 1 79 79 ALA CB C 79 17.463 17.463 17.943 -0.480 18231 440 1 . 1 1 79 79 ALA H H 79 8.918 8.918 8.204 0.714 18231 441 1 . 1 1 80 80 ALA N N 80 120.223 120.223 120.963 -0.740 18231 442 1 . 1 1 80 80 ALA HA H 80 4.065 4.065 4.121 -0.056 18231 443 1 . 1 1 80 80 ALA C C 80 171.473 171.473 179.348 -7.875 18231 444 1 . 1 1 80 80 ALA CA C 80 54.926 54.926 54.573 0.353 18231 445 1 . 1 1 80 80 ALA CB C 80 17.426 17.426 18.434 -1.008 18231 446 1 . 1 1 80 80 ALA H H 80 7.760 7.760 7.706 0.054 18231 447 1 . 1 1 81 81 LEU N N 81 119.090 119.090 119.644 -0.554 18231 448 1 . 1 1 81 81 LEU HA H 81 4.088 4.088 4.004 0.084 18231 449 1 . 1 1 81 81 LEU C C 81 174.008 174.008 178.723 -4.715 18231 450 1 . 1 1 81 81 LEU CA C 81 57.657 57.657 57.787 -0.130 18231 451 1 . 1 1 81 81 LEU CB C 81 42.231 42.231 41.675 0.556 18231 452 1 . 1 1 81 81 LEU H H 81 8.542 8.542 8.126 0.416 18231 453 1 . 1 1 82 82 THR N N 82 119.585 119.585 113.857 5.728 18231 454 1 . 1 1 82 82 THR HA H 82 4.332 4.332 3.997 0.335 18231 455 1 . 1 1 82 82 THR C C 82 176.758 176.758 176.660 0.098 18231 456 1 . 1 1 82 82 THR CA C 82 67.286 67.286 65.966 1.320 18231 457 1 . 1 1 82 82 THR CB C 82 68.127 68.127 68.590 -0.463 18231 458 1 . 1 1 82 82 THR H H 82 8.421 8.421 8.079 0.342 18231 459 1 . 1 1 83 83 VAL N N 83 121.934 121.934 121.042 0.892 18231 460 1 . 1 1 83 83 VAL HA H 83 3.715 3.715 3.738 -0.023 18231 461 1 . 1 1 83 83 VAL C C 83 175.556 175.556 177.809 -2.253 18231 462 1 . 1 1 83 83 VAL CA C 83 66.903 66.903 66.087 0.816 18231 463 1 . 1 1 83 83 VAL CB C 83 31.546 31.546 31.345 0.201 18231 464 1 . 1 1 83 83 VAL H H 83 8.077 8.077 7.413 0.664 18231 465 1 . 1 1 84 84 ALA N N 84 121.367 121.367 122.475 -1.108 18231 466 1 . 1 1 84 84 ALA HA H 84 4.201 4.201 4.127 0.074 18231 467 1 . 1 1 84 84 ALA C C 84 173.936 173.936 179.508 -5.572 18231 468 1 . 1 1 84 84 ALA CA C 84 55.280 55.280 55.201 0.079 18231 469 1 . 1 1 84 84 ALA CB C 84 17.607 17.607 17.971 -0.364 18231 470 1 . 1 1 84 84 ALA H H 84 7.835 7.835 8.297 -0.462 18231 471 1 . 1 1 85 85 CYS N N 85 116.731 116.731 116.406 0.325 18231 472 1 . 1 1 85 85 CYS HA H 85 4.237 4.237 4.035 0.202 18231 473 1 . 1 1 85 85 CYS CA C 85 56.651 56.651 64.104 -7.453 18231 474 1 . 1 1 85 85 CYS CB C 85 38.970 38.970 26.901 12.069 18231 475 1 . 1 1 85 85 CYS H H 85 8.244 8.244 8.048 0.196 18231 476 1 . 1 1 86 86 ASN HA H 86 4.383 4.383 4.520 -0.137 18231 477 1 . 1 1 86 86 ASN CA C 86 54.979 54.979 56.247 -1.268 18231 478 1 . 1 1 86 86 ASN CB C 86 40.491 40.491 38.197 2.293 18231 479 1 . 1 1 87 87 ASN N N 87 120.372 120.372 119.338 1.034 18231 480 1 . 1 1 87 87 ASN HA H 87 4.397 4.397 4.702 -0.305 18231 481 1 . 1 1 87 87 ASN CA C 87 54.969 54.969 56.038 -1.069 18231 482 1 . 1 1 87 87 ASN CB C 87 37.388 37.388 38.384 -0.996 18231 483 1 . 1 1 87 87 ASN H H 87 7.539 7.539 7.726 -0.187 18231 484 1 . 1 1 88 88 PHE N N 88 118.684 118.684 120.053 -1.369 18231 485 1 . 1 1 88 88 PHE HA H 88 4.372 4.372 4.324 0.048 18231 486 1 . 1 1 88 88 PHE C C 88 177.050 177.050 177.521 -0.471 18231 487 1 . 1 1 88 88 PHE CA C 88 59.373 59.373 61.316 -1.943 18231 488 1 . 1 1 88 88 PHE CB C 88 39.019 39.019 38.696 0.323 18231 489 1 . 1 1 88 88 PHE H H 88 7.862 7.862 8.485 -0.623 18231 490 1 . 1 1 89 89 PHE N N 89 118.515 118.515 119.606 -1.091 18231 491 1 . 1 1 89 89 PHE HA H 89 4.288 4.288 4.070 0.218 18231 492 1 . 1 1 89 89 PHE CA C 89 59.258 59.258 61.916 -2.658 18231 493 1 . 1 1 89 89 PHE CB C 89 39.232 39.232 38.707 0.525 18231 494 1 . 1 1 89 89 PHE H H 89 7.898 7.898 7.765 0.133 18231 495 1 . 1 1 90 90 TRP N N 90 118.964 118.964 118.076 0.888 18231 496 1 . 1 1 90 90 TRP HA H 90 4.485 4.485 4.330 0.155 18231 497 1 . 1 1 90 90 TRP C C 90 174.481 174.481 178.049 -3.568 18231 498 1 . 1 1 90 90 TRP CA C 90 57.371 57.371 59.532 -2.161 18231 499 1 . 1 1 90 90 TRP CB C 90 29.276 29.276 29.464 -0.188 18231 500 1 . 1 1 90 90 TRP H H 90 7.773 7.773 7.596 0.177 18231 501 1 . 1 1 91 91 GLU N N 91 120.150 120.150 117.373 2.777 18231 502 1 . 1 1 91 91 GLU HA H 91 4.057 4.057 4.071 -0.014 18231 503 1 . 1 1 91 91 GLU CA C 91 57.977 57.977 57.941 0.036 18231 504 1 . 1 1 91 91 GLU CB C 91 30.094 30.094 29.796 0.298 18231 505 1 . 1 1 91 91 GLU H H 91 7.812 7.812 7.725 0.087 18231 506 1 . 1 1 92 92 ASN HA H 92 4.668 4.668 4.372 0.296 18231 507 1 . 1 1 92 92 ASN C C 92 175.577 175.577 174.181 1.396 18231 508 1 . 1 1 92 92 ASN CA C 92 52.806 52.806 53.406 -0.600 18231 509 1 . 1 1 92 92 ASN CB C 92 38.795 38.795 38.085 0.710 18231 stop_ save_