data_19217 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19217 _Entry.PDB_ID 2M7Z 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 19217 _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 2 115.654 115.654 115.594 0.060 19217 2 1 1 . 1 1 2 2 SER HA H 2 4.496 4.496 5.123 -0.627 19217 3 1 1 . 1 1 2 2 SER CA C 2 58.438 58.438 57.431 1.007 19217 4 1 1 . 1 1 2 2 SER CB C 2 63.859 63.859 65.611 -1.752 19217 5 1 1 . 1 1 2 2 SER H H 2 8.716 8.716 8.706 0.010 19217 6 1 1 . 1 1 3 3 ASN N N 3 120.885 120.885 118.332 2.553 19217 7 1 1 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.758 -0.030 19217 8 1 1 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.251 0.068 19217 9 1 1 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.597 -0.951 19217 10 1 1 . 1 1 3 3 ASN H H 3 8.703 8.703 8.367 0.336 19217 11 1 1 . 1 1 4 4 GLU N N 4 120.920 120.920 121.471 -0.551 19217 12 1 1 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.428 -0.156 19217 13 1 1 . 1 1 4 4 GLU CA C 4 56.434 56.434 55.981 0.453 19217 14 1 1 . 1 1 4 4 GLU CB C 4 30.469 30.469 28.948 1.521 19217 15 1 1 . 1 1 4 4 GLU H H 4 8.261 8.261 8.650 -0.389 19217 16 1 1 . 1 1 5 5 LYS N N 5 124.113 124.113 121.411 2.702 19217 17 1 1 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.720 -0.172 19217 18 1 1 . 1 1 5 5 LYS CA C 5 54.630 54.630 53.037 1.593 19217 19 1 1 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.344 -0.250 19217 20 1 1 . 1 1 5 5 LYS H H 5 8.452 8.452 7.971 0.481 19217 21 1 1 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.479 -0.097 19217 22 1 1 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.436 0.930 19217 23 1 1 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.583 -0.450 19217 24 1 1 . 1 1 7 7 LYS N N 7 121.721 121.721 120.447 1.274 19217 25 1 1 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.398 -0.116 19217 26 1 1 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.967 0.613 19217 27 1 1 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.252 0.737 19217 28 1 1 . 1 1 7 7 LYS H H 7 8.449 8.449 8.312 0.137 19217 29 1 1 . 1 1 8 8 VAL N N 8 121.294 121.294 124.822 -3.528 19217 30 1 1 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.312 -0.282 19217 31 1 1 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.535 1.216 19217 32 1 1 . 1 1 8 8 VAL CB C 8 32.778 32.778 34.747 -1.969 19217 33 1 1 . 1 1 8 8 VAL H H 8 8.062 8.062 8.520 -0.458 19217 34 1 1 . 1 1 9 9 LYS N N 9 125.108 125.108 125.685 -0.577 19217 35 1 1 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.278 -0.077 19217 36 1 1 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.233 -0.958 19217 37 1 1 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.379 0.503 19217 38 1 1 . 1 1 9 9 LYS H H 9 8.429 8.429 8.812 -0.383 19217 39 1 1 . 1 1 10 10 LYS N N 10 122.428 122.428 118.536 3.892 19217 40 1 1 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.367 -0.167 19217 41 1 1 . 1 1 10 10 LYS CA C 10 57.424 57.424 55.694 1.730 19217 42 1 1 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.073 1.835 19217 43 1 1 . 1 1 10 10 LYS H H 10 8.322 8.322 8.502 -0.180 19217 44 1 1 . 1 1 11 11 HIS N N 11 119.909 119.909 117.738 2.171 19217 45 1 1 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.361 0.250 19217 46 1 1 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.624 -1.630 19217 47 1 1 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.064 0.545 19217 48 1 1 . 1 1 11 11 HIS H H 11 8.402 8.402 7.861 0.541 19217 49 1 1 . 1 1 12 12 ILE N N 12 121.819 121.819 120.721 1.098 19217 50 1 1 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.306 0.553 19217 51 1 1 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.885 -1.520 19217 52 1 1 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.320 1.035 19217 53 1 1 . 1 1 12 12 ILE H H 12 8.152 8.152 7.304 0.848 19217 54 1 1 . 1 1 13 13 THR N N 13 116.420 116.420 113.622 2.798 19217 55 1 1 . 1 1 13 13 THR HA H 13 3.933 3.933 3.883 0.050 19217 56 1 1 . 1 1 13 13 THR CA C 13 64.847 64.847 66.423 -1.576 19217 57 1 1 . 1 1 13 13 THR CB C 13 68.899 68.899 68.149 0.750 19217 58 1 1 . 1 1 13 13 THR H H 13 8.095 8.095 7.832 0.263 19217 59 1 1 . 1 1 14 14 SER N N 14 116.367 116.367 116.763 -0.396 19217 60 1 1 . 1 1 14 14 SER HA H 14 4.230 4.230 4.267 -0.037 19217 61 1 1 . 1 1 14 14 SER CA C 14 60.111 60.111 61.182 -1.071 19217 62 1 1 . 1 1 14 14 SER CB C 14 63.317 63.317 62.933 0.384 19217 63 1 1 . 1 1 14 14 SER H H 14 8.111 8.111 7.692 0.419 19217 64 1 1 . 1 1 15 15 ALA N N 15 124.756 124.756 124.396 0.360 19217 65 1 1 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.213 -0.083 19217 66 1 1 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.809 0.029 19217 67 1 1 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.470 0.295 19217 68 1 1 . 1 1 15 15 ALA H H 15 8.248 8.248 7.747 0.501 19217 69 1 1 . 1 1 16 16 LEU N N 16 116.067 116.067 119.975 -3.908 19217 70 1 1 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.247 -0.208 19217 71 1 1 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.132 -0.257 19217 72 1 1 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.843 -0.451 19217 73 1 1 . 1 1 16 16 LEU H H 16 8.188 8.188 8.406 -0.218 19217 74 1 1 . 1 1 17 17 LYS N N 17 119.021 119.021 118.661 0.360 19217 75 1 1 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.961 -0.132 19217 76 1 1 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.201 -0.275 19217 77 1 1 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.066 -0.103 19217 78 1 1 . 1 1 17 17 LYS H H 17 7.870 7.870 8.115 -0.245 19217 79 1 1 . 1 1 18 18 LYS N N 18 117.677 117.677 117.760 -0.083 19217 80 1 1 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.163 -0.052 19217 81 1 1 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.837 -0.133 19217 82 1 1 . 1 1 18 18 LYS CB C 18 32.220 32.220 31.972 0.248 19217 83 1 1 . 1 1 18 18 LYS H H 18 7.598 7.598 7.437 0.161 19217 84 1 1 . 1 1 19 19 LEU N N 19 117.430 117.430 121.188 -3.758 19217 85 1 1 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.852 0.223 19217 86 1 1 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.671 -0.150 19217 87 1 1 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.948 0.007 19217 88 1 1 . 1 1 19 19 LEU H H 19 7.594 7.594 7.672 -0.078 19217 89 1 1 . 1 1 20 20 VAL N N 20 118.252 118.252 114.857 3.395 19217 90 1 1 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.246 0.117 19217 91 1 1 . 1 1 20 20 VAL CA C 20 66.046 66.046 65.125 0.921 19217 92 1 1 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.933 -0.777 19217 93 1 1 . 1 1 20 20 VAL H H 20 7.662 7.662 7.440 0.222 19217 94 1 1 . 1 1 21 21 ASP N N 21 119.557 119.557 120.286 -0.729 19217 95 1 1 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.405 0.065 19217 96 1 1 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.171 0.475 19217 97 1 1 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.051 -0.136 19217 98 1 1 . 1 1 21 21 ASP H H 21 7.645 7.645 7.485 0.160 19217 99 1 1 . 1 1 22 22 LYS N N 22 117.493 117.493 118.072 -0.579 19217 100 1 1 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.547 0.008 19217 101 1 1 . 1 1 22 22 LYS CA C 22 56.271 56.271 54.821 1.450 19217 102 1 1 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.794 2.011 19217 103 1 1 . 1 1 22 22 LYS H H 22 7.782 7.782 8.021 -0.239 19217 104 1 1 . 1 1 23 23 TYR N N 23 121.877 121.877 121.302 0.575 19217 105 1 1 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.106 -0.407 19217 106 1 1 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.049 1.327 19217 107 1 1 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.879 1.454 19217 108 1 1 . 1 1 23 23 TYR H H 23 7.738 7.738 7.217 0.521 19217 109 1 1 . 1 1 24 24 ARG N N 24 111.739 111.739 117.001 -5.262 19217 110 1 1 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.425 -0.283 19217 111 1 1 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.662 1.212 19217 112 1 1 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.512 0.287 19217 113 1 1 . 1 1 24 24 ARG H H 24 8.577 8.577 8.601 -0.024 19217 114 1 1 . 1 1 25 25 ASN N N 25 113.359 113.359 117.227 -3.868 19217 115 1 1 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.742 0.278 19217 116 1 1 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.741 -1.426 19217 117 1 1 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.256 0.618 19217 118 1 1 . 1 1 25 25 ASN H H 25 7.711 7.711 7.673 0.038 19217 119 1 1 . 1 1 26 26 ASP N N 26 120.181 120.181 119.606 0.575 19217 120 1 1 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.876 0.055 19217 121 1 1 . 1 1 26 26 ASP CA C 26 53.596 53.596 52.736 0.860 19217 122 1 1 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.281 0.354 19217 123 1 1 . 1 1 26 26 ASP H H 26 7.424 7.424 7.629 -0.205 19217 124 1 1 . 1 1 27 27 GLU N N 27 126.678 126.678 126.032 0.646 19217 125 1 1 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.879 -0.077 19217 126 1 1 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.716 -0.526 19217 127 1 1 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.281 0.478 19217 128 1 1 . 1 1 27 27 GLU H H 27 9.073 9.073 8.842 0.231 19217 129 1 1 . 1 1 28 28 HIS N N 28 118.927 118.927 117.903 1.024 19217 130 1 1 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.297 0.114 19217 131 1 1 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.378 0.399 19217 132 1 1 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.529 -1.712 19217 133 1 1 . 1 1 28 28 HIS H H 28 8.585 8.585 8.575 0.010 19217 134 1 1 . 1 1 29 29 VAL N N 29 120.860 120.860 118.206 2.654 19217 135 1 1 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.745 -0.305 19217 136 1 1 . 1 1 29 29 VAL CA C 29 66.677 66.677 66.062 0.615 19217 137 1 1 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.587 -0.083 19217 138 1 1 . 1 1 29 29 VAL H H 29 7.811 7.811 7.410 0.401 19217 139 1 1 . 1 1 30 30 ARG N N 30 119.042 119.042 120.056 -1.014 19217 140 1 1 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.337 0.539 19217 141 1 1 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.527 0.747 19217 142 1 1 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.559 0.496 19217 143 1 1 . 1 1 30 30 ARG H H 30 7.919 7.919 7.786 0.133 19217 144 1 1 . 1 1 31 31 LYS N N 31 116.630 116.630 118.659 -2.029 19217 145 1 1 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.062 0.064 19217 146 1 1 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.354 0.231 19217 147 1 1 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.787 0.676 19217 148 1 1 . 1 1 31 31 LYS H H 31 7.583 7.583 7.739 -0.156 19217 149 1 1 . 1 1 32 32 VAL N N 32 118.507 118.507 120.901 -2.394 19217 150 1 1 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.872 -0.087 19217 151 1 1 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.187 -0.088 19217 152 1 1 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.733 0.537 19217 153 1 1 . 1 1 32 32 VAL H H 32 7.576 7.576 7.413 0.163 19217 154 1 1 . 1 1 33 33 PHE N N 33 120.874 120.874 120.210 0.664 19217 155 1 1 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.210 0.066 19217 156 1 1 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.790 -0.275 19217 157 1 1 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.105 0.248 19217 158 1 1 . 1 1 33 33 PHE H H 33 9.246 9.246 8.906 0.340 19217 159 1 1 . 1 1 34 34 ASP N N 34 119.331 119.331 120.304 -0.973 19217 160 1 1 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.445 0.083 19217 161 1 1 . 1 1 34 34 ASP CA C 34 58.608 58.608 58.063 0.545 19217 162 1 1 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.639 -0.718 19217 163 1 1 . 1 1 34 34 ASP H H 34 9.507 9.507 8.677 0.830 19217 164 1 1 . 1 1 35 35 GLU N N 35 118.378 118.378 119.943 -1.565 19217 165 1 1 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.086 0.115 19217 166 1 1 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.042 0.680 19217 167 1 1 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.666 -0.107 19217 168 1 1 . 1 1 35 35 GLU H H 35 7.334 7.334 7.618 -0.284 19217 169 1 1 . 1 1 36 36 ILE N N 36 119.241 119.241 120.506 -1.265 19217 170 1 1 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.525 -0.082 19217 171 1 1 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.362 1.399 19217 172 1 1 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.566 0.886 19217 173 1 1 . 1 1 36 36 ILE H H 36 8.054 8.054 7.706 0.348 19217 174 1 1 . 1 1 37 37 GLN N N 37 117.541 117.541 118.486 -0.945 19217 175 1 1 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.900 0.505 19217 176 1 1 . 1 1 37 37 GLN CA C 37 60.016 60.016 58.924 1.092 19217 177 1 1 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.721 -0.338 19217 178 1 1 . 1 1 37 37 GLN H H 37 8.517 8.517 8.153 0.364 19217 179 1 1 . 1 1 38 38 GLN N N 38 113.900 113.900 118.014 -4.114 19217 180 1 1 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.078 0.166 19217 181 1 1 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.267 0.256 19217 182 1 1 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.761 1.434 19217 183 1 1 . 1 1 38 38 GLN H H 38 8.023 8.023 7.730 0.293 19217 184 1 1 . 1 1 39 39 LYS N N 39 117.850 117.850 119.824 -1.974 19217 185 1 1 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.862 0.294 19217 186 1 1 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.075 -0.192 19217 187 1 1 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.022 0.897 19217 188 1 1 . 1 1 39 39 LYS H H 39 8.480 8.480 8.237 0.243 19217 189 1 1 . 1 1 40 40 LEU N N 40 114.726 114.726 116.232 -1.506 19217 190 1 1 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.269 -0.086 19217 191 1 1 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.822 -0.592 19217 192 1 1 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.418 -0.629 19217 193 1 1 . 1 1 40 40 LEU H H 40 8.427 8.427 7.923 0.504 19217 194 1 1 . 1 1 41 41 HIS N N 41 115.299 115.299 111.604 3.695 19217 195 1 1 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.263 -0.818 19217 196 1 1 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.547 -2.824 19217 197 1 1 . 1 1 41 41 HIS CB C 41 25.218 25.218 26.166 -0.948 19217 198 1 1 . 1 1 41 41 HIS H H 41 7.466 7.466 7.284 0.182 19217 199 1 1 . 1 1 42 42 CYS N N 42 116.999 116.999 111.939 5.060 19217 200 1 1 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.766 0.298 19217 201 1 1 . 1 1 42 42 CYS CA C 42 53.833 53.833 55.915 -2.082 19217 202 1 1 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.085 16.693 19217 203 1 1 . 1 1 42 42 CYS H H 42 8.205 8.205 7.457 0.748 19217 204 1 1 . 1 1 43 43 CYS N N 43 117.175 117.175 122.379 -5.204 19217 205 1 1 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.035 0.107 19217 206 1 1 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.204 -3.763 19217 207 1 1 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.631 13.297 19217 208 1 1 . 1 1 43 43 CYS H H 43 9.131 9.131 8.464 0.667 19217 209 1 1 . 1 1 44 44 GLY N N 44 113.879 113.879 115.387 -1.508 19217 210 1 1 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.567 -2.017 19217 211 1 1 . 1 1 44 44 GLY H H 44 8.913 8.913 8.627 0.286 19217 212 1 1 . 1 1 45 45 ALA N N 45 122.305 122.305 122.530 -0.225 19217 213 1 1 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.223 0.301 19217 214 1 1 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.582 -1.758 19217 215 1 1 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.363 -0.641 19217 216 1 1 . 1 1 45 45 ALA H H 45 9.057 9.057 8.697 0.360 19217 217 1 1 . 1 1 46 46 ASP N N 46 119.678 119.678 113.769 5.909 19217 218 1 1 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.756 -0.143 19217 219 1 1 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.798 2.299 19217 220 1 1 . 1 1 46 46 ASP CB C 46 42.478 42.478 42.228 0.250 19217 221 1 1 . 1 1 46 46 ASP H H 46 9.741 9.741 8.646 1.095 19217 222 1 1 . 1 1 47 47 SER N N 47 112.389 112.389 111.037 1.352 19217 223 1 1 . 1 1 47 47 SER HA H 47 4.654 4.654 4.793 -0.139 19217 224 1 1 . 1 1 47 47 SER CA C 47 57.626 57.626 56.948 0.678 19217 225 1 1 . 1 1 47 47 SER CB C 47 64.037 64.037 64.426 -0.389 19217 226 1 1 . 1 1 47 47 SER H H 47 7.798 7.798 7.427 0.371 19217 227 1 1 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.596 -0.451 19217 228 1 1 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.588 0.542 19217 229 1 1 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.195 0.152 19217 230 1 1 . 1 1 49 49 LYS N N 49 115.074 115.074 116.508 -1.434 19217 231 1 1 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.137 0.080 19217 232 1 1 . 1 1 49 49 LYS CA C 49 57.299 57.299 57.806 -0.507 19217 233 1 1 . 1 1 49 49 LYS CB C 49 30.913 30.913 30.591 0.322 19217 234 1 1 . 1 1 49 49 LYS H H 49 8.151 8.151 8.223 -0.072 19217 235 1 1 . 1 1 50 50 ASP N N 50 122.818 122.818 119.829 2.989 19217 236 1 1 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.293 0.019 19217 237 1 1 . 1 1 50 50 ASP CA C 50 57.249 57.249 57.136 0.113 19217 238 1 1 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.403 1.079 19217 239 1 1 . 1 1 50 50 ASP H H 50 8.149 8.149 7.641 0.508 19217 240 1 1 . 1 1 51 51 TYR N N 51 114.312 114.312 115.880 -1.568 19217 241 1 1 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.361 0.015 19217 242 1 1 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.316 -0.480 19217 243 1 1 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.776 -0.872 19217 244 1 1 . 1 1 51 51 TYR H H 51 7.260 7.260 7.495 -0.235 19217 245 1 1 . 1 1 52 52 GLY N N 52 109.793 109.793 107.373 2.420 19217 246 1 1 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.425 0.414 19217 247 1 1 . 1 1 52 52 GLY H H 52 7.967 7.967 7.564 0.403 19217 248 1 1 . 1 1 53 53 GLU N N 53 123.571 123.571 123.208 0.363 19217 249 1 1 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.503 -0.301 19217 250 1 1 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.003 1.102 19217 251 1 1 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.649 0.371 19217 252 1 1 . 1 1 53 53 GLU H H 53 8.788 8.788 8.796 -0.008 19217 253 1 1 . 1 1 54 54 ASN N N 54 115.160 115.160 117.148 -1.988 19217 254 1 1 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.858 0.364 19217 255 1 1 . 1 1 54 54 ASN CA C 54 50.964 50.964 51.396 -0.432 19217 256 1 1 . 1 1 54 54 ASN CB C 54 40.400 40.400 38.041 2.360 19217 257 1 1 . 1 1 54 54 ASN H H 54 7.853 7.853 7.906 -0.053 19217 258 1 1 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.237 -0.192 19217 259 1 1 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.722 -0.434 19217 260 1 1 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.396 -0.725 19217 261 1 1 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.325 0.208 19217 262 1 1 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.038 -0.345 19217 263 1 1 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.356 1.101 19217 264 1 1 . 1 1 57 57 THR N N 57 116.449 116.449 114.579 1.870 19217 265 1 1 . 1 1 57 57 THR HA H 57 3.832 3.832 3.898 -0.066 19217 266 1 1 . 1 1 57 57 THR CA C 57 65.318 65.318 65.151 0.167 19217 267 1 1 . 1 1 57 57 THR CB C 57 68.433 68.433 68.608 -0.175 19217 268 1 1 . 1 1 57 57 THR H H 57 8.894 8.894 8.727 0.167 19217 269 1 1 . 1 1 58 58 SER N N 58 113.767 113.767 115.653 -1.886 19217 270 1 1 . 1 1 58 58 SER HA H 58 4.409 4.409 4.512 -0.103 19217 271 1 1 . 1 1 58 58 SER CA C 58 59.123 59.123 60.647 -1.524 19217 272 1 1 . 1 1 58 58 SER CB C 58 62.669 62.669 62.273 0.396 19217 273 1 1 . 1 1 58 58 SER H H 58 7.839 7.839 8.159 -0.320 19217 274 1 1 . 1 1 59 59 CYS N N 59 117.062 117.062 120.397 -3.335 19217 275 1 1 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.636 0.146 19217 276 1 1 . 1 1 59 59 CYS CA C 59 60.912 60.912 60.170 0.741 19217 277 1 1 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.178 19.639 19217 278 1 1 . 1 1 59 59 CYS H H 59 7.397 7.397 7.722 -0.325 19217 279 1 1 . 1 1 60 60 SER N N 60 112.368 112.368 111.617 0.751 19217 280 1 1 . 1 1 60 60 SER HA H 60 4.258 4.258 4.664 -0.406 19217 281 1 1 . 1 1 60 60 SER CA C 60 56.925 56.925 56.501 0.424 19217 282 1 1 . 1 1 60 60 SER CB C 60 67.049 67.049 66.037 1.012 19217 283 1 1 . 1 1 60 60 SER H H 60 7.486 7.486 7.281 0.205 19217 284 1 1 . 1 1 61 61 LYS N N 61 120.402 120.402 121.466 -1.064 19217 285 1 1 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.555 -0.164 19217 286 1 1 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.714 -0.397 19217 287 1 1 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.960 0.984 19217 288 1 1 . 1 1 61 61 LYS H H 61 7.918 7.918 8.201 -0.283 19217 289 1 1 . 1 1 62 62 ASP N N 62 128.253 128.253 125.654 2.599 19217 290 1 1 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.403 -0.123 19217 291 1 1 . 1 1 62 62 ASP CA C 62 55.699 55.699 54.868 0.831 19217 292 1 1 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.267 -0.745 19217 293 1 1 . 1 1 62 62 ASP H H 62 9.517 9.517 8.879 0.638 19217 294 1 1 . 1 1 63 63 GLY N N 63 103.421 103.421 105.428 -2.007 19217 295 1 1 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.077 0.125 19217 296 1 1 . 1 1 63 63 GLY H H 63 8.597 8.597 8.288 0.309 19217 297 1 1 . 1 1 64 64 VAL N N 64 122.304 122.304 118.759 3.545 19217 298 1 1 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.263 -0.204 19217 299 1 1 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.252 1.390 19217 300 1 1 . 1 1 64 64 VAL CB C 64 33.283 33.283 34.541 -1.258 19217 301 1 1 . 1 1 64 64 VAL H H 64 7.630 7.630 7.080 0.550 19217 302 1 1 . 1 1 65 65 GLN N N 65 126.376 126.376 124.155 2.221 19217 303 1 1 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.243 -0.120 19217 304 1 1 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.251 0.733 19217 305 1 1 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.879 -0.742 19217 306 1 1 . 1 1 65 65 GLN H H 65 8.366 8.366 8.430 -0.064 19217 307 1 1 . 1 1 66 66 PHE N N 66 126.770 126.770 126.318 0.452 19217 308 1 1 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.507 0.418 19217 309 1 1 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.606 -2.164 19217 310 1 1 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.292 -0.700 19217 311 1 1 . 1 1 66 66 PHE H H 66 8.606 8.606 8.240 0.366 19217 312 1 1 . 1 1 67 67 THR N N 67 110.796 110.796 114.318 -3.522 19217 313 1 1 . 1 1 67 67 THR HA H 67 4.378 4.378 4.396 -0.018 19217 314 1 1 . 1 1 67 67 THR CA C 67 62.290 62.290 61.185 1.105 19217 315 1 1 . 1 1 67 67 THR CB C 67 69.730 69.730 69.559 0.171 19217 316 1 1 . 1 1 67 67 THR H H 67 8.105 8.105 8.409 -0.304 19217 317 1 1 . 1 1 68 68 GLU N N 68 122.415 122.415 121.586 0.829 19217 318 1 1 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.670 -0.034 19217 319 1 1 . 1 1 68 68 GLU CA C 68 55.269 55.269 55.231 0.038 19217 320 1 1 . 1 1 68 68 GLU CB C 68 32.089 32.089 32.666 -0.577 19217 321 1 1 . 1 1 68 68 GLU H H 68 8.171 8.171 7.969 0.202 19217 322 1 1 . 1 1 69 69 GLY N N 69 109.155 109.155 107.945 1.210 19217 323 1 1 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.652 -0.291 19217 324 1 1 . 1 1 69 69 GLY H H 69 8.870 8.870 8.551 0.319 19217 325 1 1 . 1 1 70 70 CYS N N 70 116.376 116.376 120.022 -3.646 19217 326 1 1 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.572 -0.127 19217 327 1 1 . 1 1 70 70 CYS CA C 70 56.449 56.449 60.259 -3.810 19217 328 1 1 . 1 1 70 70 CYS CB C 70 41.791 41.791 27.628 14.163 19217 329 1 1 . 1 1 70 70 CYS H H 70 8.335 8.335 8.489 -0.154 19217 330 1 1 . 1 1 71 71 ILE N N 71 121.812 121.812 120.904 0.908 19217 331 1 1 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.537 -0.018 19217 332 1 1 . 1 1 71 71 ILE CA C 71 66.807 66.807 65.972 0.835 19217 333 1 1 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.571 -0.745 19217 334 1 1 . 1 1 71 71 ILE H H 71 9.129 9.129 8.525 0.604 19217 335 1 1 . 1 1 72 72 LYS N N 72 121.424 121.424 118.010 3.414 19217 336 1 1 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.106 -0.091 19217 337 1 1 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.184 0.020 19217 338 1 1 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.306 -0.223 19217 339 1 1 . 1 1 72 72 LYS H H 72 8.179 8.179 8.211 -0.032 19217 340 1 1 . 1 1 73 73 LYS N N 73 115.131 115.131 119.910 -4.779 19217 341 1 1 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.026 0.157 19217 342 1 1 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.733 -0.991 19217 343 1 1 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.181 0.001 19217 344 1 1 . 1 1 73 73 LYS H H 73 7.287 7.287 7.639 -0.352 19217 345 1 1 . 1 1 74 74 VAL N N 74 117.637 117.637 114.961 2.676 19217 346 1 1 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.651 -0.019 19217 347 1 1 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.139 -0.200 19217 348 1 1 . 1 1 74 74 VAL CB C 74 31.432 31.432 31.075 0.357 19217 349 1 1 . 1 1 74 74 VAL H H 74 8.398 8.398 8.448 -0.050 19217 350 1 1 . 1 1 75 75 SER N N 75 117.090 117.090 116.282 0.808 19217 351 1 1 . 1 1 75 75 SER HA H 75 4.144 4.144 4.151 -0.007 19217 352 1 1 . 1 1 75 75 SER CA C 75 61.816 61.816 61.092 0.724 19217 353 1 1 . 1 1 75 75 SER CB C 75 62.840 62.840 62.704 0.136 19217 354 1 1 . 1 1 75 75 SER H H 75 8.249 8.249 7.633 0.616 19217 355 1 1 . 1 1 76 76 ASP N N 76 121.102 121.102 122.838 -1.736 19217 356 1 1 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.356 0.120 19217 357 1 1 . 1 1 76 76 ASP CA C 76 56.417 56.417 56.909 -0.492 19217 358 1 1 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.923 -0.487 19217 359 1 1 . 1 1 76 76 ASP H H 76 8.240 8.240 7.586 0.654 19217 360 1 1 . 1 1 77 77 LEU N N 77 119.967 119.967 115.646 4.321 19217 361 1 1 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.189 0.022 19217 362 1 1 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.436 -0.776 19217 363 1 1 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.846 0.370 19217 364 1 1 . 1 1 77 77 LEU H H 77 7.728 7.728 7.516 0.212 19217 365 1 1 . 1 1 78 78 SER N N 78 113.729 113.729 116.255 -2.526 19217 366 1 1 . 1 1 78 78 SER HA H 78 4.379 4.379 4.263 0.116 19217 367 1 1 . 1 1 78 78 SER CA C 78 59.286 59.286 60.559 -1.273 19217 368 1 1 . 1 1 78 78 SER CB C 78 63.761 63.761 63.530 0.231 19217 369 1 1 . 1 1 78 78 SER H H 78 7.873 7.873 7.583 0.290 19217 370 1 1 . 1 1 79 79 LYS N N 79 121.616 121.616 120.469 1.147 19217 371 1 1 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.374 -0.086 19217 372 1 1 . 1 1 79 79 LYS CA C 79 56.416 56.416 54.660 1.756 19217 373 1 1 . 1 1 79 79 LYS CB C 79 32.842 32.842 31.665 1.177 19217 374 1 1 . 1 1 79 79 LYS H H 79 7.741 7.741 7.886 -0.145 19217 375 1 1 . 1 1 80 80 ALA N N 80 124.562 124.562 122.334 2.228 19217 376 1 1 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.147 0.127 19217 377 1 1 . 1 1 80 80 ALA CA C 80 52.613 52.613 51.623 0.990 19217 378 1 1 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.660 -0.390 19217 379 1 1 . 1 1 80 80 ALA H H 80 8.044 8.044 7.474 0.570 19217 380 1 2 . 1 1 2 2 SER N N 2 115.654 115.654 116.388 -0.734 19217 381 1 2 . 1 1 2 2 SER HA H 2 4.496 4.496 4.372 0.124 19217 382 1 2 . 1 1 2 2 SER CA C 2 58.438 58.438 58.044 0.394 19217 383 1 2 . 1 1 2 2 SER CB C 2 63.859 63.859 63.444 0.415 19217 384 1 2 . 1 1 2 2 SER H H 2 8.716 8.716 8.202 0.514 19217 385 1 2 . 1 1 3 3 ASN N N 3 120.885 120.885 123.745 -2.860 19217 386 1 2 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.744 -0.016 19217 387 1 2 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.613 -0.294 19217 388 1 2 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.332 -0.685 19217 389 1 2 . 1 1 3 3 ASN H H 3 8.703 8.703 8.630 0.073 19217 390 1 2 . 1 1 4 4 GLU N N 4 120.920 120.920 124.641 -3.721 19217 391 1 2 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.476 -0.204 19217 392 1 2 . 1 1 4 4 GLU CA C 4 56.434 56.434 55.771 0.663 19217 393 1 2 . 1 1 4 4 GLU CB C 4 30.469 30.469 29.535 0.933 19217 394 1 2 . 1 1 4 4 GLU H H 4 8.261 8.261 8.672 -0.411 19217 395 1 2 . 1 1 5 5 LYS N N 5 124.113 124.113 121.798 2.315 19217 396 1 2 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.664 -0.116 19217 397 1 2 . 1 1 5 5 LYS CA C 5 54.630 54.630 52.922 1.708 19217 398 1 2 . 1 1 5 5 LYS CB C 5 32.094 32.094 31.774 0.320 19217 399 1 2 . 1 1 5 5 LYS H H 5 8.452 8.452 8.124 0.328 19217 400 1 2 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.474 -0.092 19217 401 1 2 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.398 0.968 19217 402 1 2 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.338 -0.205 19217 403 1 2 . 1 1 7 7 LYS N N 7 121.721 121.721 120.295 1.426 19217 404 1 2 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.383 -0.101 19217 405 1 2 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.986 0.594 19217 406 1 2 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.591 0.398 19217 407 1 2 . 1 1 7 7 LYS H H 7 8.449 8.449 8.267 0.182 19217 408 1 2 . 1 1 8 8 VAL N N 8 121.294 121.294 124.281 -2.987 19217 409 1 2 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.268 -0.238 19217 410 1 2 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.424 1.327 19217 411 1 2 . 1 1 8 8 VAL CB C 8 32.778 32.778 35.282 -2.504 19217 412 1 2 . 1 1 8 8 VAL H H 8 8.062 8.062 8.452 -0.390 19217 413 1 2 . 1 1 9 9 LYS N N 9 125.108 125.108 124.663 0.445 19217 414 1 2 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.119 0.082 19217 415 1 2 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.926 -1.651 19217 416 1 2 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.379 0.503 19217 417 1 2 . 1 1 9 9 LYS H H 9 8.429 8.429 8.681 -0.252 19217 418 1 2 . 1 1 10 10 LYS N N 10 122.428 122.428 116.883 5.545 19217 419 1 2 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.199 0.001 19217 420 1 2 . 1 1 10 10 LYS CA C 10 57.424 57.424 58.177 -0.753 19217 421 1 2 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.759 1.149 19217 422 1 2 . 1 1 10 10 LYS H H 10 8.322 8.322 8.388 -0.066 19217 423 1 2 . 1 1 11 11 HIS N N 11 119.909 119.909 119.239 0.670 19217 424 1 2 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.403 0.208 19217 425 1 2 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.373 -1.379 19217 426 1 2 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.467 0.142 19217 427 1 2 . 1 1 11 11 HIS H H 11 8.402 8.402 7.519 0.883 19217 428 1 2 . 1 1 12 12 ILE N N 12 121.819 121.819 118.955 2.864 19217 429 1 2 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.553 0.306 19217 430 1 2 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.553 -2.188 19217 431 1 2 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.572 0.783 19217 432 1 2 . 1 1 12 12 ILE H H 12 8.152 8.152 7.462 0.690 19217 433 1 2 . 1 1 13 13 THR N N 13 116.420 116.420 114.181 2.239 19217 434 1 2 . 1 1 13 13 THR HA H 13 3.933 3.933 3.923 0.010 19217 435 1 2 . 1 1 13 13 THR CA C 13 64.847 64.847 66.337 -1.490 19217 436 1 2 . 1 1 13 13 THR CB C 13 68.899 68.899 68.546 0.353 19217 437 1 2 . 1 1 13 13 THR H H 13 8.095 8.095 8.089 0.006 19217 438 1 2 . 1 1 14 14 SER N N 14 116.367 116.367 117.421 -1.054 19217 439 1 2 . 1 1 14 14 SER HA H 14 4.230 4.230 4.100 0.130 19217 440 1 2 . 1 1 14 14 SER CA C 14 60.111 60.111 62.087 -1.976 19217 441 1 2 . 1 1 14 14 SER CB C 14 63.317 63.317 62.896 0.421 19217 442 1 2 . 1 1 14 14 SER H H 14 8.111 8.111 7.496 0.615 19217 443 1 2 . 1 1 15 15 ALA N N 15 124.756 124.756 124.580 0.176 19217 444 1 2 . 1 1 15 15 ALA HA H 15 4.130 4.130 3.946 0.184 19217 445 1 2 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.932 -0.094 19217 446 1 2 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.296 0.469 19217 447 1 2 . 1 1 15 15 ALA H H 15 8.248 8.248 8.005 0.243 19217 448 1 2 . 1 1 16 16 LEU N N 16 116.067 116.067 119.327 -3.260 19217 449 1 2 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.078 -0.039 19217 450 1 2 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.425 -0.550 19217 451 1 2 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.656 -0.264 19217 452 1 2 . 1 1 16 16 LEU H H 16 8.188 8.188 8.278 -0.090 19217 453 1 2 . 1 1 17 17 LYS N N 17 119.021 119.021 117.449 1.572 19217 454 1 2 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.927 -0.098 19217 455 1 2 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.355 -0.429 19217 456 1 2 . 1 1 17 17 LYS CB C 17 31.963 31.963 31.879 0.084 19217 457 1 2 . 1 1 17 17 LYS H H 17 7.870 7.870 7.666 0.204 19217 458 1 2 . 1 1 18 18 LYS N N 18 117.677 117.677 119.403 -1.726 19217 459 1 2 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.128 -0.017 19217 460 1 2 . 1 1 18 18 LYS CA C 18 58.704 58.704 57.463 1.241 19217 461 1 2 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.035 0.185 19217 462 1 2 . 1 1 18 18 LYS H H 18 7.598 7.598 7.494 0.104 19217 463 1 2 . 1 1 19 19 LEU N N 19 117.430 117.430 120.691 -3.261 19217 464 1 2 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.937 0.138 19217 465 1 2 . 1 1 19 19 LEU CA C 19 57.521 57.521 58.016 -0.495 19217 466 1 2 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.905 0.050 19217 467 1 2 . 1 1 19 19 LEU H H 19 7.594 7.594 8.248 -0.654 19217 468 1 2 . 1 1 20 20 VAL N N 20 118.252 118.252 116.372 1.880 19217 469 1 2 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.291 0.072 19217 470 1 2 . 1 1 20 20 VAL CA C 20 66.046 66.046 65.165 0.881 19217 471 1 2 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.867 -0.711 19217 472 1 2 . 1 1 20 20 VAL H H 20 7.662 7.662 7.590 0.072 19217 473 1 2 . 1 1 21 21 ASP N N 21 119.557 119.557 119.931 -0.374 19217 474 1 2 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.462 0.008 19217 475 1 2 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.031 0.615 19217 476 1 2 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.083 -0.168 19217 477 1 2 . 1 1 21 21 ASP H H 21 7.645 7.645 7.507 0.138 19217 478 1 2 . 1 1 22 22 LYS N N 22 117.493 117.493 117.988 -0.495 19217 479 1 2 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.563 -0.008 19217 480 1 2 . 1 1 22 22 LYS CA C 22 56.271 56.271 54.881 1.390 19217 481 1 2 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.939 1.866 19217 482 1 2 . 1 1 22 22 LYS H H 22 7.782 7.782 7.939 -0.157 19217 483 1 2 . 1 1 23 23 TYR N N 23 121.877 121.877 121.370 0.507 19217 484 1 2 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.097 -0.398 19217 485 1 2 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.142 1.234 19217 486 1 2 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.898 1.434 19217 487 1 2 . 1 1 23 23 TYR H H 23 7.738 7.738 7.211 0.527 19217 488 1 2 . 1 1 24 24 ARG N N 24 111.739 111.739 117.006 -5.267 19217 489 1 2 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.414 -0.272 19217 490 1 2 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.724 1.150 19217 491 1 2 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.451 0.347 19217 492 1 2 . 1 1 24 24 ARG H H 24 8.577 8.577 8.620 -0.043 19217 493 1 2 . 1 1 25 25 ASN N N 25 113.359 113.359 117.230 -3.871 19217 494 1 2 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.740 0.280 19217 495 1 2 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.565 -1.250 19217 496 1 2 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.204 0.670 19217 497 1 2 . 1 1 25 25 ASN H H 25 7.711 7.711 7.657 0.054 19217 498 1 2 . 1 1 26 26 ASP N N 26 120.181 120.181 120.017 0.164 19217 499 1 2 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.907 0.024 19217 500 1 2 . 1 1 26 26 ASP CA C 26 53.596 53.596 52.673 0.923 19217 501 1 2 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.122 0.513 19217 502 1 2 . 1 1 26 26 ASP H H 26 7.424 7.424 7.608 -0.184 19217 503 1 2 . 1 1 27 27 GLU N N 27 126.678 126.678 125.841 0.837 19217 504 1 2 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.965 -0.163 19217 505 1 2 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.171 0.019 19217 506 1 2 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.364 0.395 19217 507 1 2 . 1 1 27 27 GLU H H 27 9.073 9.073 8.935 0.138 19217 508 1 2 . 1 1 28 28 HIS N N 28 118.927 118.927 118.603 0.324 19217 509 1 2 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.337 0.074 19217 510 1 2 . 1 1 28 28 HIS CA C 28 58.777 58.777 57.981 0.796 19217 511 1 2 . 1 1 28 28 HIS CB C 28 27.817 27.817 30.166 -2.349 19217 512 1 2 . 1 1 28 28 HIS H H 28 8.585 8.585 7.840 0.745 19217 513 1 2 . 1 1 29 29 VAL N N 29 120.860 120.860 118.859 2.001 19217 514 1 2 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.782 -0.342 19217 515 1 2 . 1 1 29 29 VAL CA C 29 66.677 66.677 64.895 1.782 19217 516 1 2 . 1 1 29 29 VAL CB C 29 31.504 31.504 30.985 0.519 19217 517 1 2 . 1 1 29 29 VAL H H 29 7.811 7.811 7.540 0.271 19217 518 1 2 . 1 1 30 30 ARG N N 30 119.042 119.042 120.053 -1.011 19217 519 1 2 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.259 0.617 19217 520 1 2 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.733 0.541 19217 521 1 2 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.355 0.700 19217 522 1 2 . 1 1 30 30 ARG H H 30 7.919 7.919 7.337 0.582 19217 523 1 2 . 1 1 31 31 LYS N N 31 116.630 116.630 118.815 -2.185 19217 524 1 2 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.053 0.073 19217 525 1 2 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.375 0.210 19217 526 1 2 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.753 0.710 19217 527 1 2 . 1 1 31 31 LYS H H 31 7.583 7.583 7.485 0.098 19217 528 1 2 . 1 1 32 32 VAL N N 32 118.507 118.507 120.314 -1.807 19217 529 1 2 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.851 -0.066 19217 530 1 2 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.280 -0.181 19217 531 1 2 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.598 0.672 19217 532 1 2 . 1 1 32 32 VAL H H 32 7.576 7.576 7.282 0.294 19217 533 1 2 . 1 1 33 33 PHE N N 33 120.874 120.874 119.862 1.012 19217 534 1 2 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.170 0.106 19217 535 1 2 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.836 -0.321 19217 536 1 2 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.032 0.321 19217 537 1 2 . 1 1 33 33 PHE H H 33 9.246 9.246 9.046 0.200 19217 538 1 2 . 1 1 34 34 ASP N N 34 119.331 119.331 120.360 -1.029 19217 539 1 2 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.423 0.105 19217 540 1 2 . 1 1 34 34 ASP CA C 34 58.608 58.608 58.142 0.466 19217 541 1 2 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.679 -0.758 19217 542 1 2 . 1 1 34 34 ASP H H 34 9.507 9.507 8.721 0.786 19217 543 1 2 . 1 1 35 35 GLU N N 35 118.378 118.378 119.700 -1.322 19217 544 1 2 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.092 0.109 19217 545 1 2 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.081 0.641 19217 546 1 2 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.710 -0.151 19217 547 1 2 . 1 1 35 35 GLU H H 35 7.334 7.334 7.628 -0.294 19217 548 1 2 . 1 1 36 36 ILE N N 36 119.241 119.241 120.714 -1.473 19217 549 1 2 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.549 -0.106 19217 550 1 2 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.382 1.379 19217 551 1 2 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.595 0.857 19217 552 1 2 . 1 1 36 36 ILE H H 36 8.054 8.054 7.713 0.341 19217 553 1 2 . 1 1 37 37 GLN N N 37 117.541 117.541 118.682 -1.141 19217 554 1 2 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.935 0.470 19217 555 1 2 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.011 1.005 19217 556 1 2 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.724 -0.341 19217 557 1 2 . 1 1 37 37 GLN H H 37 8.517 8.517 8.321 0.196 19217 558 1 2 . 1 1 38 38 GLN N N 38 113.900 113.900 118.105 -4.205 19217 559 1 2 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.140 0.104 19217 560 1 2 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.308 0.214 19217 561 1 2 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.763 1.432 19217 562 1 2 . 1 1 38 38 GLN H H 38 8.023 8.023 7.768 0.255 19217 563 1 2 . 1 1 39 39 LYS N N 39 117.850 117.850 119.740 -1.890 19217 564 1 2 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.902 0.254 19217 565 1 2 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.008 -0.126 19217 566 1 2 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.067 0.852 19217 567 1 2 . 1 1 39 39 LYS H H 39 8.480 8.480 8.239 0.241 19217 568 1 2 . 1 1 40 40 LEU N N 40 114.726 114.726 115.814 -1.088 19217 569 1 2 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.440 -0.257 19217 570 1 2 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.096 0.134 19217 571 1 2 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.518 -0.729 19217 572 1 2 . 1 1 40 40 LEU H H 40 8.427 8.427 7.940 0.487 19217 573 1 2 . 1 1 41 41 HIS N N 41 115.299 115.299 113.120 2.179 19217 574 1 2 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.236 -0.791 19217 575 1 2 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.749 -3.026 19217 576 1 2 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.786 -0.568 19217 577 1 2 . 1 1 41 41 HIS H H 41 7.466 7.466 7.409 0.057 19217 578 1 2 . 1 1 42 42 CYS N N 42 116.999 116.999 111.839 5.160 19217 579 1 2 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.963 0.101 19217 580 1 2 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.067 -2.234 19217 581 1 2 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.111 16.667 19217 582 1 2 . 1 1 42 42 CYS H H 42 8.205 8.205 7.718 0.487 19217 583 1 2 . 1 1 43 43 CYS N N 43 117.175 117.175 122.085 -4.910 19217 584 1 2 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.023 0.119 19217 585 1 2 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.228 -3.787 19217 586 1 2 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.729 13.199 19217 587 1 2 . 1 1 43 43 CYS H H 43 9.131 9.131 8.682 0.449 19217 588 1 2 . 1 1 44 44 GLY N N 44 113.879 113.879 115.207 -1.328 19217 589 1 2 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.514 -1.964 19217 590 1 2 . 1 1 44 44 GLY H H 44 8.913 8.913 8.619 0.294 19217 591 1 2 . 1 1 45 45 ALA N N 45 122.305 122.305 122.205 0.100 19217 592 1 2 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.162 0.362 19217 593 1 2 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.334 -1.510 19217 594 1 2 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.593 -0.871 19217 595 1 2 . 1 1 45 45 ALA H H 45 9.057 9.057 8.353 0.704 19217 596 1 2 . 1 1 46 46 ASP N N 46 119.678 119.678 113.373 6.305 19217 597 1 2 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.860 -0.247 19217 598 1 2 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.396 2.701 19217 599 1 2 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.763 -1.285 19217 600 1 2 . 1 1 46 46 ASP H H 46 9.741 9.741 8.210 1.531 19217 601 1 2 . 1 1 47 47 SER N N 47 112.389 112.389 112.842 -0.453 19217 602 1 2 . 1 1 47 47 SER HA H 47 4.654 4.654 4.918 -0.264 19217 603 1 2 . 1 1 47 47 SER CA C 47 57.626 57.626 56.424 1.202 19217 604 1 2 . 1 1 47 47 SER CB C 47 64.037 64.037 63.651 0.386 19217 605 1 2 . 1 1 47 47 SER H H 47 7.798 7.798 8.019 -0.221 19217 606 1 2 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.491 -0.346 19217 607 1 2 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.177 0.953 19217 608 1 2 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.166 0.181 19217 609 1 2 . 1 1 49 49 LYS N N 49 115.074 115.074 117.329 -2.255 19217 610 1 2 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.112 0.105 19217 611 1 2 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.216 -0.917 19217 612 1 2 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.277 -0.364 19217 613 1 2 . 1 1 49 49 LYS H H 49 8.151 8.151 8.197 -0.046 19217 614 1 2 . 1 1 50 50 ASP N N 50 122.818 122.818 119.059 3.759 19217 615 1 2 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.294 0.018 19217 616 1 2 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.722 0.527 19217 617 1 2 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.377 1.104 19217 618 1 2 . 1 1 50 50 ASP H H 50 8.149 8.149 7.741 0.408 19217 619 1 2 . 1 1 51 51 TYR N N 51 114.312 114.312 116.526 -2.214 19217 620 1 2 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.315 0.061 19217 621 1 2 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.531 -0.695 19217 622 1 2 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.587 -0.683 19217 623 1 2 . 1 1 51 51 TYR H H 51 7.260 7.260 7.502 -0.242 19217 624 1 2 . 1 1 52 52 GLY N N 52 109.793 109.793 107.397 2.396 19217 625 1 2 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.510 0.329 19217 626 1 2 . 1 1 52 52 GLY H H 52 7.967 7.967 7.653 0.314 19217 627 1 2 . 1 1 53 53 GLU N N 53 123.571 123.571 123.537 0.034 19217 628 1 2 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.508 -0.306 19217 629 1 2 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.010 1.095 19217 630 1 2 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.733 0.287 19217 631 1 2 . 1 1 53 53 GLU H H 53 8.788 8.788 8.719 0.069 19217 632 1 2 . 1 1 54 54 ASN N N 54 115.160 115.160 116.575 -1.415 19217 633 1 2 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.928 0.294 19217 634 1 2 . 1 1 54 54 ASN CA C 54 50.964 50.964 51.289 -0.326 19217 635 1 2 . 1 1 54 54 ASN CB C 54 40.400 40.400 37.431 2.969 19217 636 1 2 . 1 1 54 54 ASN H H 54 7.853 7.853 8.070 -0.217 19217 637 1 2 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.188 -0.143 19217 638 1 2 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.673 -0.385 19217 639 1 2 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.410 -0.739 19217 640 1 2 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.296 0.237 19217 641 1 2 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.012 -0.318 19217 642 1 2 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.331 1.126 19217 643 1 2 . 1 1 57 57 THR N N 57 116.449 116.449 114.517 1.932 19217 644 1 2 . 1 1 57 57 THR HA H 57 3.832 3.832 3.895 -0.063 19217 645 1 2 . 1 1 57 57 THR CA C 57 65.318 65.318 64.998 0.320 19217 646 1 2 . 1 1 57 57 THR CB C 57 68.433 68.433 68.517 -0.084 19217 647 1 2 . 1 1 57 57 THR H H 57 8.894 8.894 8.703 0.191 19217 648 1 2 . 1 1 58 58 SER N N 58 113.767 113.767 115.911 -2.144 19217 649 1 2 . 1 1 58 58 SER HA H 58 4.409 4.409 4.441 -0.032 19217 650 1 2 . 1 1 58 58 SER CA C 58 59.123 59.123 60.919 -1.796 19217 651 1 2 . 1 1 58 58 SER CB C 58 62.669 62.669 62.390 0.279 19217 652 1 2 . 1 1 58 58 SER H H 58 7.839 7.839 8.314 -0.475 19217 653 1 2 . 1 1 59 59 CYS N N 59 117.062 117.062 122.568 -5.506 19217 654 1 2 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.508 0.274 19217 655 1 2 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.394 1.518 19217 656 1 2 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.578 19.239 19217 657 1 2 . 1 1 59 59 CYS H H 59 7.397 7.397 7.681 -0.284 19217 658 1 2 . 1 1 60 60 SER N N 60 112.368 112.368 111.933 0.435 19217 659 1 2 . 1 1 60 60 SER HA H 60 4.258 4.258 4.609 -0.351 19217 660 1 2 . 1 1 60 60 SER CA C 60 56.925 56.925 56.294 0.631 19217 661 1 2 . 1 1 60 60 SER CB C 60 67.049 67.049 66.127 0.922 19217 662 1 2 . 1 1 60 60 SER H H 60 7.486 7.486 7.207 0.279 19217 663 1 2 . 1 1 61 61 LYS N N 61 120.402 120.402 121.717 -1.315 19217 664 1 2 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.507 -0.116 19217 665 1 2 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.184 -0.868 19217 666 1 2 . 1 1 61 61 LYS CB C 61 35.944 35.944 35.132 0.812 19217 667 1 2 . 1 1 61 61 LYS H H 61 7.918 7.918 8.310 -0.392 19217 668 1 2 . 1 1 62 62 ASP N N 62 128.253 128.253 124.505 3.748 19217 669 1 2 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.328 -0.048 19217 670 1 2 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.386 0.313 19217 671 1 2 . 1 1 62 62 ASP CB C 62 39.522 39.522 39.331 0.191 19217 672 1 2 . 1 1 62 62 ASP H H 62 9.517 9.517 8.970 0.547 19217 673 1 2 . 1 1 63 63 GLY N N 63 103.421 103.421 104.903 -1.482 19217 674 1 2 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.129 0.073 19217 675 1 2 . 1 1 63 63 GLY H H 63 8.597 8.597 8.351 0.246 19217 676 1 2 . 1 1 64 64 VAL N N 64 122.304 122.304 119.206 3.098 19217 677 1 2 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.289 -0.230 19217 678 1 2 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.443 1.199 19217 679 1 2 . 1 1 64 64 VAL CB C 64 33.283 33.283 34.538 -1.255 19217 680 1 2 . 1 1 64 64 VAL H H 64 7.630 7.630 7.355 0.275 19217 681 1 2 . 1 1 65 65 GLN N N 65 126.376 126.376 124.579 1.797 19217 682 1 2 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.235 -0.112 19217 683 1 2 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.232 0.752 19217 684 1 2 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.678 -0.541 19217 685 1 2 . 1 1 65 65 GLN H H 65 8.366 8.366 8.465 -0.099 19217 686 1 2 . 1 1 66 66 PHE N N 66 126.770 126.770 126.349 0.421 19217 687 1 2 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.530 0.395 19217 688 1 2 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.198 -1.756 19217 689 1 2 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.420 -0.828 19217 690 1 2 . 1 1 66 66 PHE H H 66 8.606 8.606 8.416 0.190 19217 691 1 2 . 1 1 67 67 THR N N 67 110.796 110.796 113.919 -3.123 19217 692 1 2 . 1 1 67 67 THR HA H 67 4.378 4.378 4.439 -0.061 19217 693 1 2 . 1 1 67 67 THR CA C 67 62.290 62.290 61.275 1.016 19217 694 1 2 . 1 1 67 67 THR CB C 67 69.730 69.730 69.524 0.206 19217 695 1 2 . 1 1 67 67 THR H H 67 8.105 8.105 8.531 -0.426 19217 696 1 2 . 1 1 68 68 GLU N N 68 122.415 122.415 121.791 0.624 19217 697 1 2 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.629 0.007 19217 698 1 2 . 1 1 68 68 GLU CA C 68 55.269 55.269 55.000 0.269 19217 699 1 2 . 1 1 68 68 GLU CB C 68 32.089 32.089 33.042 -0.953 19217 700 1 2 . 1 1 68 68 GLU H H 68 8.171 8.171 8.045 0.126 19217 701 1 2 . 1 1 69 69 GLY N N 69 109.155 109.155 108.758 0.397 19217 702 1 2 . 1 1 69 69 GLY CA C 69 44.361 44.361 45.070 -0.709 19217 703 1 2 . 1 1 69 69 GLY H H 69 8.870 8.870 8.648 0.222 19217 704 1 2 . 1 1 70 70 CYS N N 70 116.376 116.376 118.775 -2.399 19217 705 1 2 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.625 -0.180 19217 706 1 2 . 1 1 70 70 CYS CA C 70 56.449 56.449 60.125 -3.676 19217 707 1 2 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.365 13.426 19217 708 1 2 . 1 1 70 70 CYS H H 70 8.335 8.335 8.247 0.088 19217 709 1 2 . 1 1 71 71 ILE N N 71 121.812 121.812 121.142 0.670 19217 710 1 2 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.605 -0.086 19217 711 1 2 . 1 1 71 71 ILE CA C 71 66.807 66.807 65.885 0.923 19217 712 1 2 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.426 -0.600 19217 713 1 2 . 1 1 71 71 ILE H H 71 9.129 9.129 8.690 0.439 19217 714 1 2 . 1 1 72 72 LYS N N 72 121.424 121.424 118.643 2.781 19217 715 1 2 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.146 -0.131 19217 716 1 2 . 1 1 72 72 LYS CA C 72 59.203 59.203 58.935 0.267 19217 717 1 2 . 1 1 72 72 LYS CB C 72 32.083 32.083 31.882 0.201 19217 718 1 2 . 1 1 72 72 LYS H H 72 8.179 8.179 8.435 -0.256 19217 719 1 2 . 1 1 73 73 LYS N N 73 115.131 115.131 119.886 -4.755 19217 720 1 2 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.136 0.047 19217 721 1 2 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.679 -0.937 19217 722 1 2 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.238 -0.056 19217 723 1 2 . 1 1 73 73 LYS H H 73 7.287 7.287 7.685 -0.398 19217 724 1 2 . 1 1 74 74 VAL N N 74 117.637 117.637 115.872 1.765 19217 725 1 2 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.690 -0.058 19217 726 1 2 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.249 -0.310 19217 727 1 2 . 1 1 74 74 VAL CB C 74 31.432 31.432 31.253 0.179 19217 728 1 2 . 1 1 74 74 VAL H H 74 8.398 8.398 8.385 0.013 19217 729 1 2 . 1 1 75 75 SER N N 75 117.090 117.090 115.862 1.228 19217 730 1 2 . 1 1 75 75 SER HA H 75 4.144 4.144 4.184 -0.040 19217 731 1 2 . 1 1 75 75 SER CA C 75 61.816 61.816 61.338 0.478 19217 732 1 2 . 1 1 75 75 SER CB C 75 62.840 62.840 62.481 0.359 19217 733 1 2 . 1 1 75 75 SER H H 75 8.249 8.249 7.784 0.465 19217 734 1 2 . 1 1 76 76 ASP N N 76 121.102 121.102 123.080 -1.978 19217 735 1 2 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.376 0.100 19217 736 1 2 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.464 -1.047 19217 737 1 2 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.806 -0.369 19217 738 1 2 . 1 1 76 76 ASP H H 76 8.240 8.240 7.641 0.599 19217 739 1 2 . 1 1 77 77 LEU N N 77 119.967 119.967 116.152 3.815 19217 740 1 2 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.242 -0.031 19217 741 1 2 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.552 -0.892 19217 742 1 2 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.895 0.321 19217 743 1 2 . 1 1 77 77 LEU H H 77 7.728 7.728 7.544 0.184 19217 744 1 2 . 1 1 78 78 SER N N 78 113.729 113.729 114.394 -0.665 19217 745 1 2 . 1 1 78 78 SER HA H 78 4.379 4.379 4.277 0.102 19217 746 1 2 . 1 1 78 78 SER CA C 78 59.286 59.286 60.787 -1.501 19217 747 1 2 . 1 1 78 78 SER CB C 78 63.761 63.761 63.866 -0.105 19217 748 1 2 . 1 1 78 78 SER H H 78 7.873 7.873 7.648 0.225 19217 749 1 2 . 1 1 79 79 LYS N N 79 121.616 121.616 118.396 3.220 19217 750 1 2 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.365 -0.077 19217 751 1 2 . 1 1 79 79 LYS CA C 79 56.416 56.416 56.649 -0.233 19217 752 1 2 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.983 -0.141 19217 753 1 2 . 1 1 79 79 LYS H H 79 7.741 7.741 8.078 -0.337 19217 754 1 2 . 1 1 80 80 ALA N N 80 124.562 124.562 124.255 0.307 19217 755 1 2 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.068 0.206 19217 756 1 2 . 1 1 80 80 ALA CA C 80 52.613 52.613 53.198 -0.585 19217 757 1 2 . 1 1 80 80 ALA CB C 80 19.270 19.270 18.983 0.287 19217 758 1 2 . 1 1 80 80 ALA H H 80 8.044 8.044 7.650 0.394 19217 759 1 3 . 1 1 2 2 SER N N 2 115.654 115.654 116.608 -0.954 19217 760 1 3 . 1 1 2 2 SER HA H 2 4.496 4.496 4.545 -0.049 19217 761 1 3 . 1 1 2 2 SER CA C 2 58.438 58.438 57.474 0.964 19217 762 1 3 . 1 1 2 2 SER CB C 2 63.859 63.859 64.113 -0.254 19217 763 1 3 . 1 1 2 2 SER H H 2 8.716 8.716 8.011 0.705 19217 764 1 3 . 1 1 3 3 ASN N N 3 120.885 120.885 121.469 -0.584 19217 765 1 3 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.604 0.124 19217 766 1 3 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.809 -0.490 19217 767 1 3 . 1 1 3 3 ASN CB C 3 38.647 38.647 38.486 0.161 19217 768 1 3 . 1 1 3 3 ASN H H 3 8.703 8.703 8.158 0.545 19217 769 1 3 . 1 1 4 4 GLU N N 4 120.920 120.920 124.192 -3.272 19217 770 1 3 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.393 -0.121 19217 771 1 3 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.003 0.431 19217 772 1 3 . 1 1 4 4 GLU CB C 4 30.469 30.469 29.854 0.615 19217 773 1 3 . 1 1 4 4 GLU H H 4 8.261 8.261 8.363 -0.102 19217 774 1 3 . 1 1 5 5 LYS N N 5 124.113 124.113 120.740 3.373 19217 775 1 3 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.648 -0.100 19217 776 1 3 . 1 1 5 5 LYS CA C 5 54.630 54.630 53.193 1.437 19217 777 1 3 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.149 -0.055 19217 778 1 3 . 1 1 5 5 LYS H H 5 8.452 8.452 7.769 0.683 19217 779 1 3 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.410 -0.028 19217 780 1 3 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.296 1.070 19217 781 1 3 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.524 -0.391 19217 782 1 3 . 1 1 7 7 LYS N N 7 121.721 121.721 120.368 1.353 19217 783 1 3 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.320 -0.038 19217 784 1 3 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.285 1.295 19217 785 1 3 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.260 0.729 19217 786 1 3 . 1 1 7 7 LYS H H 7 8.449 8.449 8.275 0.174 19217 787 1 3 . 1 1 8 8 VAL N N 8 121.294 121.294 124.401 -3.107 19217 788 1 3 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.253 -0.223 19217 789 1 3 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.015 1.736 19217 790 1 3 . 1 1 8 8 VAL CB C 8 32.778 32.778 34.046 -1.268 19217 791 1 3 . 1 1 8 8 VAL H H 8 8.062 8.062 8.375 -0.313 19217 792 1 3 . 1 1 9 9 LYS N N 9 125.108 125.108 125.659 -0.551 19217 793 1 3 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.119 0.082 19217 794 1 3 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.829 -1.554 19217 795 1 3 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.174 0.708 19217 796 1 3 . 1 1 9 9 LYS H H 9 8.429 8.429 8.797 -0.368 19217 797 1 3 . 1 1 10 10 LYS N N 10 122.428 122.428 117.882 4.546 19217 798 1 3 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.412 -0.212 19217 799 1 3 . 1 1 10 10 LYS CA C 10 57.424 57.424 55.826 1.598 19217 800 1 3 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.358 1.550 19217 801 1 3 . 1 1 10 10 LYS H H 10 8.322 8.322 8.343 -0.021 19217 802 1 3 . 1 1 11 11 HIS N N 11 119.909 119.909 120.661 -0.752 19217 803 1 3 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.482 0.129 19217 804 1 3 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.589 -1.595 19217 805 1 3 . 1 1 11 11 HIS CB C 11 29.609 29.609 30.112 -0.503 19217 806 1 3 . 1 1 11 11 HIS H H 11 8.402 8.402 7.862 0.540 19217 807 1 3 . 1 1 12 12 ILE N N 12 121.819 121.819 119.377 2.442 19217 808 1 3 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.611 0.248 19217 809 1 3 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.885 -2.520 19217 810 1 3 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.425 0.930 19217 811 1 3 . 1 1 12 12 ILE H H 12 8.152 8.152 7.470 0.682 19217 812 1 3 . 1 1 13 13 THR N N 13 116.420 116.420 113.072 3.348 19217 813 1 3 . 1 1 13 13 THR HA H 13 3.933 3.933 3.913 0.020 19217 814 1 3 . 1 1 13 13 THR CA C 13 64.847 64.847 66.373 -1.526 19217 815 1 3 . 1 1 13 13 THR CB C 13 68.899 68.899 68.178 0.721 19217 816 1 3 . 1 1 13 13 THR H H 13 8.095 8.095 8.431 -0.336 19217 817 1 3 . 1 1 14 14 SER N N 14 116.367 116.367 116.908 -0.541 19217 818 1 3 . 1 1 14 14 SER HA H 14 4.230 4.230 4.185 0.045 19217 819 1 3 . 1 1 14 14 SER CA C 14 60.111 60.111 61.406 -1.294 19217 820 1 3 . 1 1 14 14 SER CB C 14 63.317 63.317 62.861 0.456 19217 821 1 3 . 1 1 14 14 SER H H 14 8.111 8.111 7.634 0.477 19217 822 1 3 . 1 1 15 15 ALA N N 15 124.756 124.756 124.782 -0.026 19217 823 1 3 . 1 1 15 15 ALA HA H 15 4.130 4.130 3.923 0.207 19217 824 1 3 . 1 1 15 15 ALA CA C 15 54.838 54.838 55.041 -0.203 19217 825 1 3 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.133 0.632 19217 826 1 3 . 1 1 15 15 ALA H H 15 8.248 8.248 8.246 0.002 19217 827 1 3 . 1 1 16 16 LEU N N 16 116.067 116.067 119.152 -3.085 19217 828 1 3 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.071 -0.032 19217 829 1 3 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.446 -0.571 19217 830 1 3 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.724 -0.332 19217 831 1 3 . 1 1 16 16 LEU H H 16 8.188 8.188 8.317 -0.129 19217 832 1 3 . 1 1 17 17 LYS N N 17 119.021 119.021 117.393 1.628 19217 833 1 3 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.889 -0.060 19217 834 1 3 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.823 -0.897 19217 835 1 3 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.050 -0.087 19217 836 1 3 . 1 1 17 17 LYS H H 17 7.870 7.870 7.514 0.356 19217 837 1 3 . 1 1 18 18 LYS N N 18 117.677 117.677 119.067 -1.390 19217 838 1 3 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.104 0.007 19217 839 1 3 . 1 1 18 18 LYS CA C 18 58.704 58.704 57.888 0.816 19217 840 1 3 . 1 1 18 18 LYS CB C 18 32.220 32.220 31.936 0.284 19217 841 1 3 . 1 1 18 18 LYS H H 18 7.598 7.598 7.265 0.333 19217 842 1 3 . 1 1 19 19 LEU N N 19 117.430 117.430 121.004 -3.574 19217 843 1 3 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.873 0.202 19217 844 1 3 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.979 -0.458 19217 845 1 3 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.937 0.018 19217 846 1 3 . 1 1 19 19 LEU H H 19 7.594 7.594 8.122 -0.528 19217 847 1 3 . 1 1 20 20 VAL N N 20 118.252 118.252 115.061 3.191 19217 848 1 3 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.322 0.041 19217 849 1 3 . 1 1 20 20 VAL CA C 20 66.046 66.046 65.064 0.982 19217 850 1 3 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.968 -0.812 19217 851 1 3 . 1 1 20 20 VAL H H 20 7.662 7.662 7.550 0.112 19217 852 1 3 . 1 1 21 21 ASP N N 21 119.557 119.557 120.114 -0.557 19217 853 1 3 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.455 0.015 19217 854 1 3 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.171 0.475 19217 855 1 3 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.129 -0.214 19217 856 1 3 . 1 1 21 21 ASP H H 21 7.645 7.645 7.498 0.147 19217 857 1 3 . 1 1 22 22 LYS N N 22 117.493 117.493 118.360 -0.867 19217 858 1 3 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.549 0.006 19217 859 1 3 . 1 1 22 22 LYS CA C 22 56.271 56.271 54.882 1.389 19217 860 1 3 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.828 1.976 19217 861 1 3 . 1 1 22 22 LYS H H 22 7.782 7.782 8.027 -0.245 19217 862 1 3 . 1 1 23 23 TYR N N 23 121.877 121.877 121.527 0.350 19217 863 1 3 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.112 -0.413 19217 864 1 3 . 1 1 23 23 TYR CA C 23 63.376 63.376 61.880 1.496 19217 865 1 3 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.982 1.350 19217 866 1 3 . 1 1 23 23 TYR H H 23 7.738 7.738 7.241 0.497 19217 867 1 3 . 1 1 24 24 ARG N N 24 111.739 111.739 117.139 -5.400 19217 868 1 3 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.408 -0.266 19217 869 1 3 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.137 1.737 19217 870 1 3 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.454 0.344 19217 871 1 3 . 1 1 24 24 ARG H H 24 8.577 8.577 8.609 -0.032 19217 872 1 3 . 1 1 25 25 ASN N N 25 113.359 113.359 116.844 -3.485 19217 873 1 3 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.774 0.246 19217 874 1 3 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.366 -1.051 19217 875 1 3 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.490 0.384 19217 876 1 3 . 1 1 25 25 ASN H H 25 7.711 7.711 7.664 0.047 19217 877 1 3 . 1 1 26 26 ASP N N 26 120.181 120.181 119.699 0.482 19217 878 1 3 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.872 0.059 19217 879 1 3 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.166 0.430 19217 880 1 3 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.263 0.372 19217 881 1 3 . 1 1 26 26 ASP H H 26 7.424 7.424 7.784 -0.360 19217 882 1 3 . 1 1 27 27 GLU N N 27 126.678 126.678 125.201 1.477 19217 883 1 3 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.914 -0.112 19217 884 1 3 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.566 -0.377 19217 885 1 3 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.517 0.242 19217 886 1 3 . 1 1 27 27 GLU H H 27 9.073 9.073 8.898 0.175 19217 887 1 3 . 1 1 28 28 HIS N N 28 118.927 118.927 119.089 -0.162 19217 888 1 3 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.318 0.093 19217 889 1 3 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.304 0.473 19217 890 1 3 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.906 -2.089 19217 891 1 3 . 1 1 28 28 HIS H H 28 8.585 8.585 8.500 0.085 19217 892 1 3 . 1 1 29 29 VAL N N 29 120.860 120.860 117.961 2.899 19217 893 1 3 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.838 -0.398 19217 894 1 3 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.366 1.311 19217 895 1 3 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.156 0.348 19217 896 1 3 . 1 1 29 29 VAL H H 29 7.811 7.811 7.430 0.381 19217 897 1 3 . 1 1 30 30 ARG N N 30 119.042 119.042 120.116 -1.074 19217 898 1 3 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.427 0.449 19217 899 1 3 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.721 0.553 19217 900 1 3 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.448 0.607 19217 901 1 3 . 1 1 30 30 ARG H H 30 7.919 7.919 7.689 0.230 19217 902 1 3 . 1 1 31 31 LYS N N 31 116.630 116.630 118.855 -2.225 19217 903 1 3 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.052 0.074 19217 904 1 3 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.296 0.289 19217 905 1 3 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.800 0.663 19217 906 1 3 . 1 1 31 31 LYS H H 31 7.583 7.583 7.635 -0.052 19217 907 1 3 . 1 1 32 32 VAL N N 32 118.507 118.507 120.766 -2.259 19217 908 1 3 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.762 0.023 19217 909 1 3 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.255 -0.156 19217 910 1 3 . 1 1 32 32 VAL CB C 32 32.270 32.270 32.090 0.180 19217 911 1 3 . 1 1 32 32 VAL H H 32 7.576 7.576 7.305 0.271 19217 912 1 3 . 1 1 33 33 PHE N N 33 120.874 120.874 119.823 1.051 19217 913 1 3 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.198 0.078 19217 914 1 3 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.437 0.078 19217 915 1 3 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.128 0.225 19217 916 1 3 . 1 1 33 33 PHE H H 33 9.246 9.246 8.831 0.415 19217 917 1 3 . 1 1 34 34 ASP N N 34 119.331 119.331 120.332 -1.001 19217 918 1 3 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.429 0.099 19217 919 1 3 . 1 1 34 34 ASP CA C 34 58.608 58.608 58.024 0.584 19217 920 1 3 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.716 -0.795 19217 921 1 3 . 1 1 34 34 ASP H H 34 9.507 9.507 8.692 0.815 19217 922 1 3 . 1 1 35 35 GLU N N 35 118.378 118.378 119.740 -1.362 19217 923 1 3 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.083 0.118 19217 924 1 3 . 1 1 35 35 GLU CA C 35 59.722 59.722 58.979 0.743 19217 925 1 3 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.700 -0.141 19217 926 1 3 . 1 1 35 35 GLU H H 35 7.334 7.334 7.634 -0.300 19217 927 1 3 . 1 1 36 36 ILE N N 36 119.241 119.241 120.653 -1.412 19217 928 1 3 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.534 -0.091 19217 929 1 3 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.398 1.363 19217 930 1 3 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.543 0.909 19217 931 1 3 . 1 1 36 36 ILE H H 36 8.054 8.054 7.644 0.410 19217 932 1 3 . 1 1 37 37 GLN N N 37 117.541 117.541 118.577 -1.036 19217 933 1 3 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.920 0.485 19217 934 1 3 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.006 1.010 19217 935 1 3 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.709 -0.326 19217 936 1 3 . 1 1 37 37 GLN H H 37 8.517 8.517 8.171 0.346 19217 937 1 3 . 1 1 38 38 GLN N N 38 113.900 113.900 118.193 -4.293 19217 938 1 3 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.132 0.112 19217 939 1 3 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.304 0.218 19217 940 1 3 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.751 1.444 19217 941 1 3 . 1 1 38 38 GLN H H 38 8.023 8.023 7.732 0.291 19217 942 1 3 . 1 1 39 39 LYS N N 39 117.850 117.850 119.668 -1.818 19217 943 1 3 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.896 0.260 19217 944 1 3 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.002 -0.119 19217 945 1 3 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.036 0.883 19217 946 1 3 . 1 1 39 39 LYS H H 39 8.480 8.480 8.242 0.238 19217 947 1 3 . 1 1 40 40 LEU N N 40 114.726 114.726 115.948 -1.222 19217 948 1 3 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.357 -0.174 19217 949 1 3 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.472 -0.242 19217 950 1 3 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.551 -0.762 19217 951 1 3 . 1 1 40 40 LEU H H 40 8.427 8.427 7.811 0.616 19217 952 1 3 . 1 1 41 41 HIS N N 41 115.299 115.299 112.966 2.333 19217 953 1 3 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.210 -0.765 19217 954 1 3 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.449 -2.726 19217 955 1 3 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.872 -0.654 19217 956 1 3 . 1 1 41 41 HIS H H 41 7.466 7.466 7.325 0.141 19217 957 1 3 . 1 1 42 42 CYS N N 42 116.999 116.999 111.416 5.583 19217 958 1 3 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.854 0.210 19217 959 1 3 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.166 -2.333 19217 960 1 3 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.243 16.535 19217 961 1 3 . 1 1 42 42 CYS H H 42 8.205 8.205 7.770 0.435 19217 962 1 3 . 1 1 43 43 CYS N N 43 117.175 117.175 122.031 -4.856 19217 963 1 3 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.063 0.079 19217 964 1 3 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.227 -3.786 19217 965 1 3 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.785 13.143 19217 966 1 3 . 1 1 43 43 CYS H H 43 9.131 9.131 8.418 0.713 19217 967 1 3 . 1 1 44 44 GLY N N 44 113.879 113.879 115.275 -1.396 19217 968 1 3 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.498 -1.948 19217 969 1 3 . 1 1 44 44 GLY H H 44 8.913 8.913 8.629 0.284 19217 970 1 3 . 1 1 45 45 ALA N N 45 122.305 122.305 122.395 -0.090 19217 971 1 3 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.159 0.365 19217 972 1 3 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.198 -1.374 19217 973 1 3 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.651 -0.929 19217 974 1 3 . 1 1 45 45 ALA H H 45 9.057 9.057 8.264 0.793 19217 975 1 3 . 1 1 46 46 ASP N N 46 119.678 119.678 113.683 5.995 19217 976 1 3 . 1 1 46 46 ASP HA H 46 4.613 4.613 5.001 -0.388 19217 977 1 3 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.233 2.864 19217 978 1 3 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.951 -1.473 19217 979 1 3 . 1 1 46 46 ASP H H 46 9.741 9.741 8.145 1.596 19217 980 1 3 . 1 1 47 47 SER N N 47 112.389 112.389 112.375 0.014 19217 981 1 3 . 1 1 47 47 SER HA H 47 4.654 4.654 4.848 -0.194 19217 982 1 3 . 1 1 47 47 SER CA C 47 57.626 57.626 56.541 1.085 19217 983 1 3 . 1 1 47 47 SER CB C 47 64.037 64.037 62.767 1.270 19217 984 1 3 . 1 1 47 47 SER H H 47 7.798 7.798 7.586 0.212 19217 985 1 3 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.534 -0.389 19217 986 1 3 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.647 0.482 19217 987 1 3 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.157 0.190 19217 988 1 3 . 1 1 49 49 LYS N N 49 115.074 115.074 116.441 -1.367 19217 989 1 3 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.078 0.139 19217 990 1 3 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.325 -1.026 19217 991 1 3 . 1 1 49 49 LYS CB C 49 30.913 30.913 30.644 0.269 19217 992 1 3 . 1 1 49 49 LYS H H 49 8.151 8.151 8.215 -0.064 19217 993 1 3 . 1 1 50 50 ASP N N 50 122.818 122.818 119.288 3.530 19217 994 1 3 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.312 0.000 19217 995 1 3 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.355 0.894 19217 996 1 3 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.346 1.135 19217 997 1 3 . 1 1 50 50 ASP H H 50 8.149 8.149 7.660 0.489 19217 998 1 3 . 1 1 51 51 TYR N N 51 114.312 114.312 116.304 -1.992 19217 999 1 3 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.371 0.005 19217 1000 1 3 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.339 -0.503 19217 1001 1 3 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.761 -0.857 19217 1002 1 3 . 1 1 51 51 TYR H H 51 7.260 7.260 7.610 -0.350 19217 1003 1 3 . 1 1 52 52 GLY N N 52 109.793 109.793 107.533 2.260 19217 1004 1 3 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.551 0.288 19217 1005 1 3 . 1 1 52 52 GLY H H 52 7.967 7.967 7.505 0.462 19217 1006 1 3 . 1 1 53 53 GLU N N 53 123.571 123.571 123.007 0.564 19217 1007 1 3 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.548 -0.346 19217 1008 1 3 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.169 0.937 19217 1009 1 3 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.900 0.120 19217 1010 1 3 . 1 1 53 53 GLU H H 53 8.788 8.788 8.606 0.182 19217 1011 1 3 . 1 1 54 54 ASN N N 54 115.160 115.160 118.940 -3.780 19217 1012 1 3 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.930 0.292 19217 1013 1 3 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.284 -1.320 19217 1014 1 3 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.456 0.944 19217 1015 1 3 . 1 1 54 54 ASN H H 54 7.853 7.853 8.349 -0.496 19217 1016 1 3 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.238 -0.193 19217 1017 1 3 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.495 -0.207 19217 1018 1 3 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.294 -0.623 19217 1019 1 3 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.298 0.235 19217 1020 1 3 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.088 -0.394 19217 1021 1 3 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.274 1.183 19217 1022 1 3 . 1 1 57 57 THR N N 57 116.449 116.449 114.720 1.729 19217 1023 1 3 . 1 1 57 57 THR HA H 57 3.832 3.832 3.913 -0.081 19217 1024 1 3 . 1 1 57 57 THR CA C 57 65.318 65.318 65.620 -0.302 19217 1025 1 3 . 1 1 57 57 THR CB C 57 68.433 68.433 68.763 -0.330 19217 1026 1 3 . 1 1 57 57 THR H H 57 8.894 8.894 8.792 0.102 19217 1027 1 3 . 1 1 58 58 SER N N 58 113.767 113.767 115.861 -2.094 19217 1028 1 3 . 1 1 58 58 SER HA H 58 4.409 4.409 4.450 -0.041 19217 1029 1 3 . 1 1 58 58 SER CA C 58 59.123 59.123 60.521 -1.398 19217 1030 1 3 . 1 1 58 58 SER CB C 58 62.669 62.669 61.961 0.708 19217 1031 1 3 . 1 1 58 58 SER H H 58 7.839 7.839 8.347 -0.508 19217 1032 1 3 . 1 1 59 59 CYS N N 59 117.062 117.062 122.298 -5.236 19217 1033 1 3 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.535 0.247 19217 1034 1 3 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.326 1.586 19217 1035 1 3 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.439 19.378 19217 1036 1 3 . 1 1 59 59 CYS H H 59 7.397 7.397 7.650 -0.253 19217 1037 1 3 . 1 1 60 60 SER N N 60 112.368 112.368 112.149 0.219 19217 1038 1 3 . 1 1 60 60 SER HA H 60 4.258 4.258 4.627 -0.369 19217 1039 1 3 . 1 1 60 60 SER CA C 60 56.925 56.925 56.333 0.592 19217 1040 1 3 . 1 1 60 60 SER CB C 60 67.049 67.049 66.149 0.900 19217 1041 1 3 . 1 1 60 60 SER H H 60 7.486 7.486 7.238 0.248 19217 1042 1 3 . 1 1 61 61 LYS N N 61 120.402 120.402 122.675 -2.273 19217 1043 1 3 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.586 -0.195 19217 1044 1 3 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.341 -1.024 19217 1045 1 3 . 1 1 61 61 LYS CB C 61 35.944 35.944 35.218 0.726 19217 1046 1 3 . 1 1 61 61 LYS H H 61 7.918 7.918 8.237 -0.319 19217 1047 1 3 . 1 1 62 62 ASP N N 62 128.253 128.253 124.682 3.571 19217 1048 1 3 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.350 -0.070 19217 1049 1 3 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.152 0.547 19217 1050 1 3 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.220 -0.698 19217 1051 1 3 . 1 1 62 62 ASP H H 62 9.517 9.517 8.935 0.582 19217 1052 1 3 . 1 1 63 63 GLY N N 63 103.421 103.421 104.799 -1.378 19217 1053 1 3 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.276 -0.074 19217 1054 1 3 . 1 1 63 63 GLY H H 63 8.597 8.597 8.389 0.208 19217 1055 1 3 . 1 1 64 64 VAL N N 64 122.304 122.304 118.966 3.338 19217 1056 1 3 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.285 -0.226 19217 1057 1 3 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.407 1.235 19217 1058 1 3 . 1 1 64 64 VAL CB C 64 33.283 33.283 34.536 -1.253 19217 1059 1 3 . 1 1 64 64 VAL H H 64 7.630 7.630 7.166 0.464 19217 1060 1 3 . 1 1 65 65 GLN N N 65 126.376 126.376 124.368 2.008 19217 1061 1 3 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.251 -0.128 19217 1062 1 3 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.219 0.764 19217 1063 1 3 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.808 -0.672 19217 1064 1 3 . 1 1 65 65 GLN H H 65 8.366 8.366 8.471 -0.105 19217 1065 1 3 . 1 1 66 66 PHE N N 66 126.770 126.770 126.389 0.381 19217 1066 1 3 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.550 0.375 19217 1067 1 3 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.870 -1.428 19217 1068 1 3 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.030 -0.438 19217 1069 1 3 . 1 1 66 66 PHE H H 66 8.606 8.606 8.317 0.289 19217 1070 1 3 . 1 1 67 67 THR N N 67 110.796 110.796 113.889 -3.093 19217 1071 1 3 . 1 1 67 67 THR HA H 67 4.378 4.378 4.467 -0.089 19217 1072 1 3 . 1 1 67 67 THR CA C 67 62.290 62.290 61.430 0.860 19217 1073 1 3 . 1 1 67 67 THR CB C 67 69.730 69.730 69.120 0.610 19217 1074 1 3 . 1 1 67 67 THR H H 67 8.105 8.105 8.584 -0.479 19217 1075 1 3 . 1 1 68 68 GLU N N 68 122.415 122.415 121.195 1.220 19217 1076 1 3 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.652 -0.016 19217 1077 1 3 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.738 0.531 19217 1078 1 3 . 1 1 68 68 GLU CB C 68 32.089 32.089 32.891 -0.802 19217 1079 1 3 . 1 1 68 68 GLU H H 68 8.171 8.171 8.022 0.149 19217 1080 1 3 . 1 1 69 69 GLY N N 69 109.155 109.155 107.582 1.573 19217 1081 1 3 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.085 0.276 19217 1082 1 3 . 1 1 69 69 GLY H H 69 8.870 8.870 8.530 0.340 19217 1083 1 3 . 1 1 70 70 CYS N N 70 116.376 116.376 118.998 -2.622 19217 1084 1 3 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.668 -0.223 19217 1085 1 3 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.834 -3.385 19217 1086 1 3 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.553 13.238 19217 1087 1 3 . 1 1 70 70 CYS H H 70 8.335 8.335 8.415 -0.080 19217 1088 1 3 . 1 1 71 71 ILE N N 71 121.812 121.812 121.055 0.757 19217 1089 1 3 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.553 -0.034 19217 1090 1 3 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.180 0.627 19217 1091 1 3 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.626 -0.800 19217 1092 1 3 . 1 1 71 71 ILE H H 71 9.129 9.129 8.669 0.460 19217 1093 1 3 . 1 1 72 72 LYS N N 72 121.424 121.424 118.728 2.696 19217 1094 1 3 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.123 -0.108 19217 1095 1 3 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.602 -0.399 19217 1096 1 3 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.261 -0.178 19217 1097 1 3 . 1 1 72 72 LYS H H 72 8.179 8.179 8.383 -0.204 19217 1098 1 3 . 1 1 73 73 LYS N N 73 115.131 115.131 120.213 -5.082 19217 1099 1 3 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.042 0.141 19217 1100 1 3 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.349 -1.607 19217 1101 1 3 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.003 0.179 19217 1102 1 3 . 1 1 73 73 LYS H H 73 7.287 7.287 7.727 -0.440 19217 1103 1 3 . 1 1 74 74 VAL N N 74 117.637 117.637 116.113 1.524 19217 1104 1 3 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.731 -0.099 19217 1105 1 3 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.489 -0.550 19217 1106 1 3 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.538 0.894 19217 1107 1 3 . 1 1 74 74 VAL H H 74 8.398 8.398 8.579 -0.181 19217 1108 1 3 . 1 1 75 75 SER N N 75 117.090 117.090 115.350 1.740 19217 1109 1 3 . 1 1 75 75 SER HA H 75 4.144 4.144 4.185 -0.041 19217 1110 1 3 . 1 1 75 75 SER CA C 75 61.816 61.816 61.390 0.426 19217 1111 1 3 . 1 1 75 75 SER CB C 75 62.840 62.840 63.029 -0.189 19217 1112 1 3 . 1 1 75 75 SER H H 75 8.249 8.249 7.628 0.621 19217 1113 1 3 . 1 1 76 76 ASP N N 76 121.102 121.102 122.764 -1.662 19217 1114 1 3 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.380 0.096 19217 1115 1 3 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.255 -0.838 19217 1116 1 3 . 1 1 76 76 ASP CB C 76 40.436 40.436 41.043 -0.607 19217 1117 1 3 . 1 1 76 76 ASP H H 76 8.240 8.240 7.866 0.374 19217 1118 1 3 . 1 1 77 77 LEU N N 77 119.967 119.967 117.254 2.713 19217 1119 1 3 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.228 -0.017 19217 1120 1 3 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.553 -0.893 19217 1121 1 3 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.587 0.629 19217 1122 1 3 . 1 1 77 77 LEU H H 77 7.728 7.728 7.643 0.085 19217 1123 1 3 . 1 1 78 78 SER N N 78 113.729 113.729 115.756 -2.027 19217 1124 1 3 . 1 1 78 78 SER HA H 78 4.379 4.379 4.111 0.268 19217 1125 1 3 . 1 1 78 78 SER CA C 78 59.286 59.286 61.092 -1.806 19217 1126 1 3 . 1 1 78 78 SER CB C 78 63.761 63.761 63.134 0.627 19217 1127 1 3 . 1 1 78 78 SER H H 78 7.873 7.873 7.744 0.129 19217 1128 1 3 . 1 1 79 79 LYS N N 79 121.616 121.616 120.751 0.865 19217 1129 1 3 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.189 0.099 19217 1130 1 3 . 1 1 79 79 LYS CA C 79 56.416 56.416 56.881 -0.465 19217 1131 1 3 . 1 1 79 79 LYS CB C 79 32.842 32.842 33.031 -0.189 19217 1132 1 3 . 1 1 79 79 LYS H H 79 7.741 7.741 7.632 0.109 19217 1133 1 3 . 1 1 80 80 ALA N N 80 124.562 124.562 122.836 1.726 19217 1134 1 3 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.236 0.038 19217 1135 1 3 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.959 -0.346 19217 1136 1 3 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.698 -0.428 19217 1137 1 3 . 1 1 80 80 ALA H H 80 8.044 8.044 7.560 0.484 19217 1138 1 4 . 1 1 2 2 SER N N 2 115.654 115.654 117.372 -1.718 19217 1139 1 4 . 1 1 2 2 SER HA H 2 4.496 4.496 4.814 -0.318 19217 1140 1 4 . 1 1 2 2 SER CA C 2 58.438 58.438 58.986 -0.548 19217 1141 1 4 . 1 1 2 2 SER CB C 2 63.859 63.859 64.073 -0.214 19217 1142 1 4 . 1 1 2 2 SER H H 2 8.716 8.716 8.308 0.408 19217 1143 1 4 . 1 1 3 3 ASN N N 3 120.885 120.885 121.390 -0.505 19217 1144 1 4 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.747 -0.019 19217 1145 1 4 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.220 0.099 19217 1146 1 4 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.902 -1.255 19217 1147 1 4 . 1 1 3 3 ASN H H 3 8.703 8.703 8.279 0.424 19217 1148 1 4 . 1 1 4 4 GLU N N 4 120.920 120.920 120.913 0.007 19217 1149 1 4 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.607 -0.335 19217 1150 1 4 . 1 1 4 4 GLU CA C 4 56.434 56.434 55.864 0.570 19217 1151 1 4 . 1 1 4 4 GLU CB C 4 30.469 30.469 31.047 -0.578 19217 1152 1 4 . 1 1 4 4 GLU H H 4 8.261 8.261 8.593 -0.332 19217 1153 1 4 . 1 1 5 5 LYS N N 5 124.113 124.113 125.610 -1.497 19217 1154 1 4 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.668 -0.120 19217 1155 1 4 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.095 0.535 19217 1156 1 4 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.534 -0.440 19217 1157 1 4 . 1 1 5 5 LYS H H 5 8.452 8.452 8.492 -0.040 19217 1158 1 4 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.486 -0.104 19217 1159 1 4 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.307 1.059 19217 1160 1 4 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.687 -0.554 19217 1161 1 4 . 1 1 7 7 LYS N N 7 121.721 121.721 120.403 1.318 19217 1162 1 4 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.067 0.215 19217 1163 1 4 . 1 1 7 7 LYS CA C 7 56.580 56.580 56.206 0.374 19217 1164 1 4 . 1 1 7 7 LYS CB C 7 32.989 32.989 31.392 1.597 19217 1165 1 4 . 1 1 7 7 LYS H H 7 8.449 8.449 8.324 0.125 19217 1166 1 4 . 1 1 8 8 VAL N N 8 121.294 121.294 124.186 -2.892 19217 1167 1 4 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.288 -0.258 19217 1168 1 4 . 1 1 8 8 VAL CA C 8 62.751 62.751 60.128 2.623 19217 1169 1 4 . 1 1 8 8 VAL CB C 8 32.778 32.778 33.687 -0.909 19217 1170 1 4 . 1 1 8 8 VAL H H 8 8.062 8.062 7.994 0.068 19217 1171 1 4 . 1 1 9 9 LYS N N 9 125.108 125.108 126.147 -1.039 19217 1172 1 4 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.064 0.137 19217 1173 1 4 . 1 1 9 9 LYS CA C 9 57.275 57.275 59.401 -2.126 19217 1174 1 4 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.363 0.519 19217 1175 1 4 . 1 1 9 9 LYS H H 9 8.429 8.429 8.791 -0.362 19217 1176 1 4 . 1 1 10 10 LYS N N 10 122.428 122.428 117.564 4.864 19217 1177 1 4 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.422 -0.222 19217 1178 1 4 . 1 1 10 10 LYS CA C 10 57.424 57.424 55.935 1.489 19217 1179 1 4 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.381 1.527 19217 1180 1 4 . 1 1 10 10 LYS H H 10 8.322 8.322 8.341 -0.019 19217 1181 1 4 . 1 1 11 11 HIS N N 11 119.909 119.909 121.322 -1.413 19217 1182 1 4 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.254 0.357 19217 1183 1 4 . 1 1 11 11 HIS CA C 11 56.994 56.994 59.429 -2.435 19217 1184 1 4 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.767 -0.158 19217 1185 1 4 . 1 1 11 11 HIS H H 11 8.402 8.402 8.334 0.068 19217 1186 1 4 . 1 1 12 12 ILE N N 12 121.819 121.819 118.993 2.826 19217 1187 1 4 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.619 0.240 19217 1188 1 4 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.735 -1.370 19217 1189 1 4 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.316 1.039 19217 1190 1 4 . 1 1 12 12 ILE H H 12 8.152 8.152 7.916 0.236 19217 1191 1 4 . 1 1 13 13 THR N N 13 116.420 116.420 115.304 1.116 19217 1192 1 4 . 1 1 13 13 THR HA H 13 3.933 3.933 3.872 0.061 19217 1193 1 4 . 1 1 13 13 THR CA C 13 64.847 64.847 66.677 -1.830 19217 1194 1 4 . 1 1 13 13 THR CB C 13 68.899 68.899 68.572 0.327 19217 1195 1 4 . 1 1 13 13 THR H H 13 8.095 8.095 8.032 0.063 19217 1196 1 4 . 1 1 14 14 SER N N 14 116.367 116.367 116.836 -0.469 19217 1197 1 4 . 1 1 14 14 SER HA H 14 4.230 4.230 4.145 0.085 19217 1198 1 4 . 1 1 14 14 SER CA C 14 60.111 60.111 61.656 -1.545 19217 1199 1 4 . 1 1 14 14 SER CB C 14 63.317 63.317 62.790 0.527 19217 1200 1 4 . 1 1 14 14 SER H H 14 8.111 8.111 7.926 0.185 19217 1201 1 4 . 1 1 15 15 ALA N N 15 124.756 124.756 125.364 -0.608 19217 1202 1 4 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.061 0.069 19217 1203 1 4 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.737 0.101 19217 1204 1 4 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.256 0.509 19217 1205 1 4 . 1 1 15 15 ALA H H 15 8.248 8.248 7.194 1.054 19217 1206 1 4 . 1 1 16 16 LEU N N 16 116.067 116.067 119.505 -3.438 19217 1207 1 4 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.121 -0.082 19217 1208 1 4 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.401 -0.526 19217 1209 1 4 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.753 -0.361 19217 1210 1 4 . 1 1 16 16 LEU H H 16 8.188 8.188 8.658 -0.470 19217 1211 1 4 . 1 1 17 17 LYS N N 17 119.021 119.021 118.059 0.962 19217 1212 1 4 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.920 -0.091 19217 1213 1 4 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.751 -0.825 19217 1214 1 4 . 1 1 17 17 LYS CB C 17 31.963 31.963 31.993 -0.030 19217 1215 1 4 . 1 1 17 17 LYS H H 17 7.870 7.870 7.695 0.175 19217 1216 1 4 . 1 1 18 18 LYS N N 18 117.677 117.677 119.685 -2.008 19217 1217 1 4 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.091 0.020 19217 1218 1 4 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.679 0.025 19217 1219 1 4 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.304 -0.084 19217 1220 1 4 . 1 1 18 18 LYS H H 18 7.598 7.598 7.259 0.339 19217 1221 1 4 . 1 1 19 19 LEU N N 19 117.430 117.430 121.216 -3.786 19217 1222 1 4 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.830 0.245 19217 1223 1 4 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.871 -0.350 19217 1224 1 4 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.884 0.071 19217 1225 1 4 . 1 1 19 19 LEU H H 19 7.594 7.594 8.007 -0.413 19217 1226 1 4 . 1 1 20 20 VAL N N 20 118.252 118.252 114.836 3.416 19217 1227 1 4 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.313 0.050 19217 1228 1 4 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.264 1.782 19217 1229 1 4 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.391 -0.235 19217 1230 1 4 . 1 1 20 20 VAL H H 20 7.662 7.662 7.445 0.217 19217 1231 1 4 . 1 1 21 21 ASP N N 21 119.557 119.557 119.837 -0.280 19217 1232 1 4 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.428 0.042 19217 1233 1 4 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.202 0.444 19217 1234 1 4 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.144 -0.229 19217 1235 1 4 . 1 1 21 21 ASP H H 21 7.645 7.645 7.463 0.182 19217 1236 1 4 . 1 1 22 22 LYS N N 22 117.493 117.493 117.895 -0.402 19217 1237 1 4 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.523 0.032 19217 1238 1 4 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.144 1.127 19217 1239 1 4 . 1 1 22 22 LYS CB C 22 33.805 33.805 32.253 1.552 19217 1240 1 4 . 1 1 22 22 LYS H H 22 7.782 7.782 7.888 -0.106 19217 1241 1 4 . 1 1 23 23 TYR N N 23 121.877 121.877 120.979 0.898 19217 1242 1 4 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.106 -0.407 19217 1243 1 4 . 1 1 23 23 TYR CA C 23 63.376 63.376 61.951 1.425 19217 1244 1 4 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.959 1.373 19217 1245 1 4 . 1 1 23 23 TYR H H 23 7.738 7.738 7.223 0.515 19217 1246 1 4 . 1 1 24 24 ARG N N 24 111.739 111.739 117.027 -5.288 19217 1247 1 4 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.423 -0.281 19217 1248 1 4 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.711 1.163 19217 1249 1 4 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.523 0.275 19217 1250 1 4 . 1 1 24 24 ARG H H 24 8.577 8.577 8.586 -0.009 19217 1251 1 4 . 1 1 25 25 ASN N N 25 113.359 113.359 117.170 -3.811 19217 1252 1 4 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.745 0.275 19217 1253 1 4 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.730 -1.415 19217 1254 1 4 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.344 0.530 19217 1255 1 4 . 1 1 25 25 ASN H H 25 7.711 7.711 7.655 0.056 19217 1256 1 4 . 1 1 26 26 ASP N N 26 120.181 120.181 119.980 0.201 19217 1257 1 4 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.893 0.038 19217 1258 1 4 . 1 1 26 26 ASP CA C 26 53.596 53.596 52.696 0.900 19217 1259 1 4 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.250 0.385 19217 1260 1 4 . 1 1 26 26 ASP H H 26 7.424 7.424 7.625 -0.201 19217 1261 1 4 . 1 1 27 27 GLU N N 27 126.678 126.678 125.593 1.085 19217 1262 1 4 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.960 -0.158 19217 1263 1 4 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.270 -0.080 19217 1264 1 4 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.372 0.387 19217 1265 1 4 . 1 1 27 27 GLU H H 27 9.073 9.073 8.909 0.164 19217 1266 1 4 . 1 1 28 28 HIS N N 28 118.927 118.927 119.028 -0.101 19217 1267 1 4 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.314 0.097 19217 1268 1 4 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.056 0.721 19217 1269 1 4 . 1 1 28 28 HIS CB C 28 27.817 27.817 30.033 -2.216 19217 1270 1 4 . 1 1 28 28 HIS H H 28 8.585 8.585 7.758 0.827 19217 1271 1 4 . 1 1 29 29 VAL N N 29 120.860 120.860 118.459 2.401 19217 1272 1 4 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.818 -0.378 19217 1273 1 4 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.317 1.360 19217 1274 1 4 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.000 0.504 19217 1275 1 4 . 1 1 29 29 VAL H H 29 7.811 7.811 7.437 0.374 19217 1276 1 4 . 1 1 30 30 ARG N N 30 119.042 119.042 120.046 -1.004 19217 1277 1 4 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.299 0.577 19217 1278 1 4 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.819 0.455 19217 1279 1 4 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.388 0.667 19217 1280 1 4 . 1 1 30 30 ARG H H 30 7.919 7.919 7.338 0.581 19217 1281 1 4 . 1 1 31 31 LYS N N 31 116.630 116.630 118.874 -2.244 19217 1282 1 4 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.063 0.063 19217 1283 1 4 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.367 0.218 19217 1284 1 4 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.814 0.649 19217 1285 1 4 . 1 1 31 31 LYS H H 31 7.583 7.583 7.578 0.005 19217 1286 1 4 . 1 1 32 32 VAL N N 32 118.507 118.507 120.511 -2.004 19217 1287 1 4 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.836 -0.051 19217 1288 1 4 . 1 1 32 32 VAL CA C 32 66.099 66.099 65.712 0.387 19217 1289 1 4 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.655 0.615 19217 1290 1 4 . 1 1 32 32 VAL H H 32 7.576 7.576 7.334 0.242 19217 1291 1 4 . 1 1 33 33 PHE N N 33 120.874 120.874 119.796 1.078 19217 1292 1 4 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.174 0.102 19217 1293 1 4 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.691 -0.176 19217 1294 1 4 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.256 0.097 19217 1295 1 4 . 1 1 33 33 PHE H H 33 9.246 9.246 8.900 0.346 19217 1296 1 4 . 1 1 34 34 ASP N N 34 119.331 119.331 120.518 -1.187 19217 1297 1 4 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.452 0.076 19217 1298 1 4 . 1 1 34 34 ASP CA C 34 58.608 58.608 58.140 0.468 19217 1299 1 4 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.686 -0.765 19217 1300 1 4 . 1 1 34 34 ASP H H 34 9.507 9.507 8.640 0.867 19217 1301 1 4 . 1 1 35 35 GLU N N 35 118.378 118.378 119.683 -1.305 19217 1302 1 4 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.118 0.083 19217 1303 1 4 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.134 0.588 19217 1304 1 4 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.486 0.073 19217 1305 1 4 . 1 1 35 35 GLU H H 35 7.334 7.334 7.721 -0.387 19217 1306 1 4 . 1 1 36 36 ILE N N 36 119.241 119.241 120.691 -1.450 19217 1307 1 4 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.572 -0.129 19217 1308 1 4 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.316 1.445 19217 1309 1 4 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.629 0.823 19217 1310 1 4 . 1 1 36 36 ILE H H 36 8.054 8.054 7.792 0.262 19217 1311 1 4 . 1 1 37 37 GLN N N 37 117.541 117.541 118.715 -1.174 19217 1312 1 4 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.902 0.503 19217 1313 1 4 . 1 1 37 37 GLN CA C 37 60.016 60.016 58.993 1.023 19217 1314 1 4 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.695 -0.312 19217 1315 1 4 . 1 1 37 37 GLN H H 37 8.517 8.517 8.240 0.277 19217 1316 1 4 . 1 1 38 38 GLN N N 38 113.900 113.900 117.973 -4.073 19217 1317 1 4 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.085 0.159 19217 1318 1 4 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.265 0.257 19217 1319 1 4 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.760 1.435 19217 1320 1 4 . 1 1 38 38 GLN H H 38 8.023 8.023 7.755 0.268 19217 1321 1 4 . 1 1 39 39 LYS N N 39 117.850 117.850 119.695 -1.845 19217 1322 1 4 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.921 0.235 19217 1323 1 4 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.009 -0.126 19217 1324 1 4 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.040 0.879 19217 1325 1 4 . 1 1 39 39 LYS H H 39 8.480 8.480 8.174 0.306 19217 1326 1 4 . 1 1 40 40 LEU N N 40 114.726 114.726 115.455 -0.729 19217 1327 1 4 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.349 -0.166 19217 1328 1 4 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.050 0.180 19217 1329 1 4 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.738 -0.949 19217 1330 1 4 . 1 1 40 40 LEU H H 40 8.427 8.427 7.733 0.694 19217 1331 1 4 . 1 1 41 41 HIS N N 41 115.299 115.299 114.072 1.227 19217 1332 1 4 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.123 -0.678 19217 1333 1 4 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.446 -2.723 19217 1334 1 4 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.881 -0.663 19217 1335 1 4 . 1 1 41 41 HIS H H 41 7.466 7.466 7.437 0.029 19217 1336 1 4 . 1 1 42 42 CYS N N 42 116.999 116.999 111.613 5.386 19217 1337 1 4 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.777 0.287 19217 1338 1 4 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.007 -2.174 19217 1339 1 4 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.095 16.683 19217 1340 1 4 . 1 1 42 42 CYS H H 42 8.205 8.205 7.567 0.638 19217 1341 1 4 . 1 1 43 43 CYS N N 43 117.175 117.175 122.312 -5.137 19217 1342 1 4 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.056 0.086 19217 1343 1 4 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.264 -3.822 19217 1344 1 4 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.768 13.160 19217 1345 1 4 . 1 1 43 43 CYS H H 43 9.131 9.131 8.229 0.902 19217 1346 1 4 . 1 1 44 44 GLY N N 44 113.879 113.879 115.117 -1.238 19217 1347 1 4 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.647 -2.097 19217 1348 1 4 . 1 1 44 44 GLY H H 44 8.913 8.913 8.581 0.332 19217 1349 1 4 . 1 1 45 45 ALA N N 45 122.305 122.305 122.576 -0.271 19217 1350 1 4 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.189 0.335 19217 1351 1 4 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.144 -1.320 19217 1352 1 4 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.578 -0.856 19217 1353 1 4 . 1 1 45 45 ALA H H 45 9.057 9.057 8.651 0.406 19217 1354 1 4 . 1 1 46 46 ASP N N 46 119.678 119.678 115.331 4.347 19217 1355 1 4 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.929 -0.316 19217 1356 1 4 . 1 1 46 46 ASP CA C 46 57.097 57.097 53.711 3.386 19217 1357 1 4 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.511 -1.033 19217 1358 1 4 . 1 1 46 46 ASP H H 46 9.741 9.741 8.054 1.687 19217 1359 1 4 . 1 1 47 47 SER N N 47 112.389 112.389 112.234 0.155 19217 1360 1 4 . 1 1 47 47 SER HA H 47 4.654 4.654 4.827 -0.173 19217 1361 1 4 . 1 1 47 47 SER CA C 47 57.626 57.626 56.433 1.193 19217 1362 1 4 . 1 1 47 47 SER CB C 47 64.037 64.037 64.215 -0.178 19217 1363 1 4 . 1 1 47 47 SER H H 47 7.798 7.798 7.590 0.208 19217 1364 1 4 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.532 -0.387 19217 1365 1 4 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.271 0.859 19217 1366 1 4 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.214 0.133 19217 1367 1 4 . 1 1 49 49 LYS N N 49 115.074 115.074 117.381 -2.307 19217 1368 1 4 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.067 0.150 19217 1369 1 4 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.392 -1.093 19217 1370 1 4 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.129 -0.216 19217 1371 1 4 . 1 1 49 49 LYS H H 49 8.151 8.151 8.227 -0.076 19217 1372 1 4 . 1 1 50 50 ASP N N 50 122.818 122.818 118.877 3.941 19217 1373 1 4 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.260 0.052 19217 1374 1 4 . 1 1 50 50 ASP CA C 50 57.249 57.249 57.006 0.243 19217 1375 1 4 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.575 0.906 19217 1376 1 4 . 1 1 50 50 ASP H H 50 8.149 8.149 7.649 0.500 19217 1377 1 4 . 1 1 51 51 TYR N N 51 114.312 114.312 116.432 -2.120 19217 1378 1 4 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.294 0.082 19217 1379 1 4 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.566 -0.730 19217 1380 1 4 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.332 -0.428 19217 1381 1 4 . 1 1 51 51 TYR H H 51 7.260 7.260 7.601 -0.341 19217 1382 1 4 . 1 1 52 52 GLY N N 52 109.793 109.793 107.191 2.602 19217 1383 1 4 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.504 0.335 19217 1384 1 4 . 1 1 52 52 GLY H H 52 7.967 7.967 7.517 0.450 19217 1385 1 4 . 1 1 53 53 GLU N N 53 123.571 123.571 122.456 1.115 19217 1386 1 4 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.579 -0.377 19217 1387 1 4 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.206 0.899 19217 1388 1 4 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.846 0.174 19217 1389 1 4 . 1 1 53 53 GLU H H 53 8.788 8.788 8.734 0.054 19217 1390 1 4 . 1 1 54 54 ASN N N 54 115.160 115.160 119.084 -3.924 19217 1391 1 4 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.912 0.310 19217 1392 1 4 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.441 -1.477 19217 1393 1 4 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.510 0.890 19217 1394 1 4 . 1 1 54 54 ASN H H 54 7.853 7.853 8.376 -0.523 19217 1395 1 4 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.243 -0.198 19217 1396 1 4 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.441 -0.154 19217 1397 1 4 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.238 -0.568 19217 1398 1 4 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.321 0.212 19217 1399 1 4 . 1 1 56 56 PRO CA C 56 61.694 61.694 61.989 -0.295 19217 1400 1 4 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.330 1.127 19217 1401 1 4 . 1 1 57 57 THR N N 57 116.449 116.449 114.380 2.069 19217 1402 1 4 . 1 1 57 57 THR HA H 57 3.832 3.832 3.911 -0.079 19217 1403 1 4 . 1 1 57 57 THR CA C 57 65.318 65.318 64.851 0.467 19217 1404 1 4 . 1 1 57 57 THR CB C 57 68.433 68.433 68.480 -0.047 19217 1405 1 4 . 1 1 57 57 THR H H 57 8.894 8.894 8.683 0.211 19217 1406 1 4 . 1 1 58 58 SER N N 58 113.767 113.767 115.752 -1.985 19217 1407 1 4 . 1 1 58 58 SER HA H 58 4.409 4.409 4.506 -0.097 19217 1408 1 4 . 1 1 58 58 SER CA C 58 59.123 59.123 60.596 -1.473 19217 1409 1 4 . 1 1 58 58 SER CB C 58 62.669 62.669 62.672 -0.004 19217 1410 1 4 . 1 1 58 58 SER H H 58 7.839 7.839 8.280 -0.441 19217 1411 1 4 . 1 1 59 59 CYS N N 59 117.062 117.062 120.266 -3.204 19217 1412 1 4 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.616 0.166 19217 1413 1 4 . 1 1 59 59 CYS CA C 59 60.912 60.912 60.080 0.833 19217 1414 1 4 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.620 19.197 19217 1415 1 4 . 1 1 59 59 CYS H H 59 7.397 7.397 7.774 -0.377 19217 1416 1 4 . 1 1 60 60 SER N N 60 112.368 112.368 111.862 0.506 19217 1417 1 4 . 1 1 60 60 SER HA H 60 4.258 4.258 4.702 -0.444 19217 1418 1 4 . 1 1 60 60 SER CA C 60 56.925 56.925 56.444 0.481 19217 1419 1 4 . 1 1 60 60 SER CB C 60 67.049 67.049 66.086 0.963 19217 1420 1 4 . 1 1 60 60 SER H H 60 7.486 7.486 7.279 0.207 19217 1421 1 4 . 1 1 61 61 LYS N N 61 120.402 120.402 121.569 -1.167 19217 1422 1 4 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.516 -0.125 19217 1423 1 4 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.282 -0.965 19217 1424 1 4 . 1 1 61 61 LYS CB C 61 35.944 35.944 35.097 0.847 19217 1425 1 4 . 1 1 61 61 LYS H H 61 7.918 7.918 8.141 -0.223 19217 1426 1 4 . 1 1 62 62 ASP N N 62 128.253 128.253 124.721 3.532 19217 1427 1 4 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.348 -0.068 19217 1428 1 4 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.088 0.611 19217 1429 1 4 . 1 1 62 62 ASP CB C 62 39.522 39.522 39.927 -0.405 19217 1430 1 4 . 1 1 62 62 ASP H H 62 9.517 9.517 8.915 0.602 19217 1431 1 4 . 1 1 63 63 GLY N N 63 103.421 103.421 104.989 -1.568 19217 1432 1 4 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.269 -0.067 19217 1433 1 4 . 1 1 63 63 GLY H H 63 8.597 8.597 8.363 0.234 19217 1434 1 4 . 1 1 64 64 VAL N N 64 122.304 122.304 118.825 3.479 19217 1435 1 4 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.277 -0.218 19217 1436 1 4 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.215 1.427 19217 1437 1 4 . 1 1 64 64 VAL CB C 64 33.283 33.283 34.541 -1.258 19217 1438 1 4 . 1 1 64 64 VAL H H 64 7.630 7.630 7.176 0.454 19217 1439 1 4 . 1 1 65 65 GLN N N 65 126.376 126.376 124.015 2.361 19217 1440 1 4 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.247 -0.124 19217 1441 1 4 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.250 0.734 19217 1442 1 4 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.960 -0.823 19217 1443 1 4 . 1 1 65 65 GLN H H 65 8.366 8.366 8.433 -0.067 19217 1444 1 4 . 1 1 66 66 PHE N N 66 126.770 126.770 127.015 -0.245 19217 1445 1 4 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.498 0.427 19217 1446 1 4 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.431 -1.989 19217 1447 1 4 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.265 -0.673 19217 1448 1 4 . 1 1 66 66 PHE H H 66 8.606 8.606 8.252 0.354 19217 1449 1 4 . 1 1 67 67 THR N N 67 110.796 110.796 114.351 -3.555 19217 1450 1 4 . 1 1 67 67 THR HA H 67 4.378 4.378 4.397 -0.019 19217 1451 1 4 . 1 1 67 67 THR CA C 67 62.290 62.290 61.742 0.548 19217 1452 1 4 . 1 1 67 67 THR CB C 67 69.730 69.730 69.187 0.543 19217 1453 1 4 . 1 1 67 67 THR H H 67 8.105 8.105 8.658 -0.553 19217 1454 1 4 . 1 1 68 68 GLU N N 68 122.415 122.415 122.495 -0.080 19217 1455 1 4 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.688 -0.052 19217 1456 1 4 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.894 0.375 19217 1457 1 4 . 1 1 68 68 GLU CB C 68 32.089 32.089 32.723 -0.634 19217 1458 1 4 . 1 1 68 68 GLU H H 68 8.171 8.171 8.022 0.149 19217 1459 1 4 . 1 1 69 69 GLY N N 69 109.155 109.155 107.313 1.842 19217 1460 1 4 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.000 0.361 19217 1461 1 4 . 1 1 69 69 GLY H H 69 8.870 8.870 8.525 0.345 19217 1462 1 4 . 1 1 70 70 CYS N N 70 116.376 116.376 119.715 -3.339 19217 1463 1 4 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.589 -0.144 19217 1464 1 4 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.934 -3.485 19217 1465 1 4 . 1 1 70 70 CYS CB C 70 41.791 41.791 27.652 14.139 19217 1466 1 4 . 1 1 70 70 CYS H H 70 8.335 8.335 8.358 -0.023 19217 1467 1 4 . 1 1 71 71 ILE N N 71 121.812 121.812 121.139 0.673 19217 1468 1 4 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.552 -0.033 19217 1469 1 4 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.230 0.577 19217 1470 1 4 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.652 -0.826 19217 1471 1 4 . 1 1 71 71 ILE H H 71 9.129 9.129 8.461 0.668 19217 1472 1 4 . 1 1 72 72 LYS N N 72 121.424 121.424 118.002 3.422 19217 1473 1 4 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.027 -0.012 19217 1474 1 4 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.959 -0.756 19217 1475 1 4 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.195 -0.112 19217 1476 1 4 . 1 1 72 72 LYS H H 72 8.179 8.179 8.439 -0.260 19217 1477 1 4 . 1 1 73 73 LYS N N 73 115.131 115.131 120.376 -5.245 19217 1478 1 4 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.313 -0.130 19217 1479 1 4 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.786 -1.044 19217 1480 1 4 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.262 -0.080 19217 1481 1 4 . 1 1 73 73 LYS H H 73 7.287 7.287 7.649 -0.362 19217 1482 1 4 . 1 1 74 74 VAL N N 74 117.637 117.637 115.618 2.019 19217 1483 1 4 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.999 -0.367 19217 1484 1 4 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.077 -0.138 19217 1485 1 4 . 1 1 74 74 VAL CB C 74 31.432 31.432 31.099 0.332 19217 1486 1 4 . 1 1 74 74 VAL H H 74 8.398 8.398 8.385 0.013 19217 1487 1 4 . 1 1 75 75 SER N N 75 117.090 117.090 117.698 -0.608 19217 1488 1 4 . 1 1 75 75 SER HA H 75 4.144 4.144 4.283 -0.139 19217 1489 1 4 . 1 1 75 75 SER CA C 75 61.816 61.816 61.096 0.720 19217 1490 1 4 . 1 1 75 75 SER CB C 75 62.840 62.840 63.224 -0.384 19217 1491 1 4 . 1 1 75 75 SER H H 75 8.249 8.249 7.708 0.541 19217 1492 1 4 . 1 1 76 76 ASP N N 76 121.102 121.102 122.335 -1.233 19217 1493 1 4 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.358 0.118 19217 1494 1 4 . 1 1 76 76 ASP CA C 76 56.417 56.417 56.950 -0.533 19217 1495 1 4 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.587 -0.151 19217 1496 1 4 . 1 1 76 76 ASP H H 76 8.240 8.240 8.501 -0.261 19217 1497 1 4 . 1 1 77 77 LEU N N 77 119.967 119.967 116.337 3.630 19217 1498 1 4 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.444 -0.233 19217 1499 1 4 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.131 -0.471 19217 1500 1 4 . 1 1 77 77 LEU CB C 77 42.216 42.216 42.055 0.161 19217 1501 1 4 . 1 1 77 77 LEU H H 77 7.728 7.728 7.433 0.295 19217 1502 1 4 . 1 1 78 78 SER N N 78 113.729 113.729 114.201 -0.472 19217 1503 1 4 . 1 1 78 78 SER HA H 78 4.379 4.379 4.238 0.141 19217 1504 1 4 . 1 1 78 78 SER CA C 78 59.286 59.286 60.513 -1.226 19217 1505 1 4 . 1 1 78 78 SER CB C 78 63.761 63.761 63.635 0.126 19217 1506 1 4 . 1 1 78 78 SER H H 78 7.873 7.873 7.630 0.243 19217 1507 1 4 . 1 1 79 79 LYS N N 79 121.616 121.616 120.771 0.845 19217 1508 1 4 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.166 0.122 19217 1509 1 4 . 1 1 79 79 LYS CA C 79 56.416 56.416 57.323 -0.907 19217 1510 1 4 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.951 -0.109 19217 1511 1 4 . 1 1 79 79 LYS H H 79 7.741 7.741 8.208 -0.467 19217 1512 1 4 . 1 1 80 80 ALA N N 80 124.562 124.562 121.758 2.804 19217 1513 1 4 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.415 -0.141 19217 1514 1 4 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.178 0.435 19217 1515 1 4 . 1 1 80 80 ALA CB C 80 19.270 19.270 20.080 -0.810 19217 1516 1 4 . 1 1 80 80 ALA H H 80 8.044 8.044 7.129 0.915 19217 1517 1 5 . 1 1 2 2 SER N N 2 115.654 115.654 117.914 -2.260 19217 1518 1 5 . 1 1 2 2 SER HA H 2 4.496 4.496 4.690 -0.194 19217 1519 1 5 . 1 1 2 2 SER CA C 2 58.438 58.438 58.157 0.281 19217 1520 1 5 . 1 1 2 2 SER CB C 2 63.859 63.859 64.667 -0.808 19217 1521 1 5 . 1 1 2 2 SER H H 2 8.716 8.716 8.227 0.489 19217 1522 1 5 . 1 1 3 3 ASN N N 3 120.885 120.885 123.623 -2.738 19217 1523 1 5 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.781 -0.053 19217 1524 1 5 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.330 -0.011 19217 1525 1 5 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.149 -0.502 19217 1526 1 5 . 1 1 3 3 ASN H H 3 8.703 8.703 8.525 0.178 19217 1527 1 5 . 1 1 4 4 GLU N N 4 120.920 120.920 119.434 1.486 19217 1528 1 5 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.465 -0.193 19217 1529 1 5 . 1 1 4 4 GLU CA C 4 56.434 56.434 55.974 0.460 19217 1530 1 5 . 1 1 4 4 GLU CB C 4 30.469 30.469 28.921 1.548 19217 1531 1 5 . 1 1 4 4 GLU H H 4 8.261 8.261 8.723 -0.462 19217 1532 1 5 . 1 1 5 5 LYS N N 5 124.113 124.113 122.492 1.621 19217 1533 1 5 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.659 -0.111 19217 1534 1 5 . 1 1 5 5 LYS CA C 5 54.630 54.630 53.766 0.864 19217 1535 1 5 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.661 -0.567 19217 1536 1 5 . 1 1 5 5 LYS H H 5 8.452 8.452 7.973 0.479 19217 1537 1 5 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.452 -0.070 19217 1538 1 5 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.513 0.853 19217 1539 1 5 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.673 -0.540 19217 1540 1 5 . 1 1 7 7 LYS N N 7 121.721 121.721 120.604 1.117 19217 1541 1 5 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.530 -0.248 19217 1542 1 5 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.072 1.508 19217 1543 1 5 . 1 1 7 7 LYS CB C 7 32.989 32.989 33.690 -0.701 19217 1544 1 5 . 1 1 7 7 LYS H H 7 8.449 8.449 8.214 0.235 19217 1545 1 5 . 1 1 8 8 VAL N N 8 121.294 121.294 121.728 -0.434 19217 1546 1 5 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.236 -0.206 19217 1547 1 5 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.480 1.271 19217 1548 1 5 . 1 1 8 8 VAL CB C 8 32.778 32.778 33.661 -0.883 19217 1549 1 5 . 1 1 8 8 VAL H H 8 8.062 8.062 8.264 -0.202 19217 1550 1 5 . 1 1 9 9 LYS N N 9 125.108 125.108 124.422 0.686 19217 1551 1 5 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.292 -0.091 19217 1552 1 5 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.599 -1.324 19217 1553 1 5 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.644 0.238 19217 1554 1 5 . 1 1 9 9 LYS H H 9 8.429 8.429 8.696 -0.267 19217 1555 1 5 . 1 1 10 10 LYS N N 10 122.428 122.428 117.958 4.470 19217 1556 1 5 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.456 -0.256 19217 1557 1 5 . 1 1 10 10 LYS CA C 10 57.424 57.424 56.103 1.321 19217 1558 1 5 . 1 1 10 10 LYS CB C 10 32.908 32.908 30.923 1.985 19217 1559 1 5 . 1 1 10 10 LYS H H 10 8.322 8.322 8.657 -0.335 19217 1560 1 5 . 1 1 11 11 HIS N N 11 119.909 119.909 116.635 3.274 19217 1561 1 5 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.430 0.181 19217 1562 1 5 . 1 1 11 11 HIS CA C 11 56.994 56.994 57.641 -0.647 19217 1563 1 5 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.249 0.360 19217 1564 1 5 . 1 1 11 11 HIS H H 11 8.402 8.402 7.879 0.523 19217 1565 1 5 . 1 1 12 12 ILE N N 12 121.819 121.819 120.705 1.114 19217 1566 1 5 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.314 0.545 19217 1567 1 5 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.607 -1.242 19217 1568 1 5 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.286 1.069 19217 1569 1 5 . 1 1 12 12 ILE H H 12 8.152 8.152 7.807 0.345 19217 1570 1 5 . 1 1 13 13 THR N N 13 116.420 116.420 114.199 2.221 19217 1571 1 5 . 1 1 13 13 THR HA H 13 3.933 3.933 3.955 -0.022 19217 1572 1 5 . 1 1 13 13 THR CA C 13 64.847 64.847 66.739 -1.892 19217 1573 1 5 . 1 1 13 13 THR CB C 13 68.899 68.899 68.657 0.242 19217 1574 1 5 . 1 1 13 13 THR H H 13 8.095 8.095 7.813 0.282 19217 1575 1 5 . 1 1 14 14 SER N N 14 116.367 116.367 116.886 -0.519 19217 1576 1 5 . 1 1 14 14 SER HA H 14 4.230 4.230 4.222 0.008 19217 1577 1 5 . 1 1 14 14 SER CA C 14 60.111 60.111 61.740 -1.629 19217 1578 1 5 . 1 1 14 14 SER CB C 14 63.317 63.317 63.228 0.089 19217 1579 1 5 . 1 1 14 14 SER H H 14 8.111 8.111 7.958 0.153 19217 1580 1 5 . 1 1 15 15 ALA N N 15 124.756 124.756 124.922 -0.166 19217 1581 1 5 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.137 -0.007 19217 1582 1 5 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.880 -0.042 19217 1583 1 5 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.291 0.474 19217 1584 1 5 . 1 1 15 15 ALA H H 15 8.248 8.248 7.322 0.926 19217 1585 1 5 . 1 1 16 16 LEU N N 16 116.067 116.067 119.703 -3.636 19217 1586 1 5 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.083 -0.044 19217 1587 1 5 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.392 -0.517 19217 1588 1 5 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.772 -0.380 19217 1589 1 5 . 1 1 16 16 LEU H H 16 8.188 8.188 8.467 -0.279 19217 1590 1 5 . 1 1 17 17 LYS N N 17 119.021 119.021 117.761 1.260 19217 1591 1 5 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.906 -0.077 19217 1592 1 5 . 1 1 17 17 LYS CA C 17 58.926 58.926 60.030 -1.104 19217 1593 1 5 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.155 -0.192 19217 1594 1 5 . 1 1 17 17 LYS H H 17 7.870 7.870 7.700 0.170 19217 1595 1 5 . 1 1 18 18 LYS N N 18 117.677 117.677 119.070 -1.393 19217 1596 1 5 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.085 0.026 19217 1597 1 5 . 1 1 18 18 LYS CA C 18 58.704 58.704 59.037 -0.333 19217 1598 1 5 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.278 -0.058 19217 1599 1 5 . 1 1 18 18 LYS H H 18 7.598 7.598 7.306 0.292 19217 1600 1 5 . 1 1 19 19 LEU N N 19 117.430 117.430 121.360 -3.930 19217 1601 1 5 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.829 0.246 19217 1602 1 5 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.992 -0.471 19217 1603 1 5 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.843 0.112 19217 1604 1 5 . 1 1 19 19 LEU H H 19 7.594 7.594 8.058 -0.464 19217 1605 1 5 . 1 1 20 20 VAL N N 20 118.252 118.252 115.080 3.172 19217 1606 1 5 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.283 0.080 19217 1607 1 5 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.779 1.267 19217 1608 1 5 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.692 -0.536 19217 1609 1 5 . 1 1 20 20 VAL H H 20 7.662 7.662 7.550 0.112 19217 1610 1 5 . 1 1 21 21 ASP N N 21 119.557 119.557 120.638 -1.081 19217 1611 1 5 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.448 0.022 19217 1612 1 5 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.416 0.230 19217 1613 1 5 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.966 -0.051 19217 1614 1 5 . 1 1 21 21 ASP H H 21 7.645 7.645 7.525 0.120 19217 1615 1 5 . 1 1 22 22 LYS N N 22 117.493 117.493 119.221 -1.728 19217 1616 1 5 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.427 0.128 19217 1617 1 5 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.453 0.818 19217 1618 1 5 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.842 1.963 19217 1619 1 5 . 1 1 22 22 LYS H H 22 7.782 7.782 8.050 -0.268 19217 1620 1 5 . 1 1 23 23 TYR N N 23 121.877 121.877 121.144 0.733 19217 1621 1 5 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.124 -0.425 19217 1622 1 5 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.081 1.295 19217 1623 1 5 . 1 1 23 23 TYR CB C 23 40.332 40.332 39.019 1.313 19217 1624 1 5 . 1 1 23 23 TYR H H 23 7.738 7.738 7.285 0.453 19217 1625 1 5 . 1 1 24 24 ARG N N 24 111.739 111.739 116.758 -5.019 19217 1626 1 5 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.395 -0.253 19217 1627 1 5 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.929 0.945 19217 1628 1 5 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.942 -0.143 19217 1629 1 5 . 1 1 24 24 ARG H H 24 8.577 8.577 8.590 -0.013 19217 1630 1 5 . 1 1 25 25 ASN N N 25 113.359 113.359 116.912 -3.553 19217 1631 1 5 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.791 0.229 19217 1632 1 5 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.384 -1.069 19217 1633 1 5 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.819 0.055 19217 1634 1 5 . 1 1 25 25 ASN H H 25 7.711 7.711 7.636 0.075 19217 1635 1 5 . 1 1 26 26 ASP N N 26 120.181 120.181 120.324 -0.143 19217 1636 1 5 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.917 0.014 19217 1637 1 5 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.311 0.285 19217 1638 1 5 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.391 0.244 19217 1639 1 5 . 1 1 26 26 ASP H H 26 7.424 7.424 7.964 -0.540 19217 1640 1 5 . 1 1 27 27 GLU N N 27 126.678 126.678 125.370 1.308 19217 1641 1 5 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.910 -0.108 19217 1642 1 5 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.663 -0.473 19217 1643 1 5 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.907 -0.148 19217 1644 1 5 . 1 1 27 27 GLU H H 27 9.073 9.073 8.887 0.186 19217 1645 1 5 . 1 1 28 28 HIS N N 28 118.927 118.927 117.913 1.014 19217 1646 1 5 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.282 0.129 19217 1647 1 5 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.231 0.546 19217 1648 1 5 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.873 -2.056 19217 1649 1 5 . 1 1 28 28 HIS H H 28 8.585 8.585 8.655 -0.070 19217 1650 1 5 . 1 1 29 29 VAL N N 29 120.860 120.860 118.099 2.761 19217 1651 1 5 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.753 -0.313 19217 1652 1 5 . 1 1 29 29 VAL CA C 29 66.677 66.677 66.280 0.397 19217 1653 1 5 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.570 -0.066 19217 1654 1 5 . 1 1 29 29 VAL H H 29 7.811 7.811 7.431 0.380 19217 1655 1 5 . 1 1 30 30 ARG N N 30 119.042 119.042 120.069 -1.027 19217 1656 1 5 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.487 0.389 19217 1657 1 5 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.542 0.732 19217 1658 1 5 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.432 0.623 19217 1659 1 5 . 1 1 30 30 ARG H H 30 7.919 7.919 7.797 0.122 19217 1660 1 5 . 1 1 31 31 LYS N N 31 116.630 116.630 118.816 -2.186 19217 1661 1 5 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.095 0.031 19217 1662 1 5 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.350 0.235 19217 1663 1 5 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.863 0.600 19217 1664 1 5 . 1 1 31 31 LYS H H 31 7.583 7.583 7.612 -0.029 19217 1665 1 5 . 1 1 32 32 VAL N N 32 118.507 118.507 120.523 -2.016 19217 1666 1 5 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.750 0.035 19217 1667 1 5 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.586 -0.487 19217 1668 1 5 . 1 1 32 32 VAL CB C 32 32.270 32.270 32.131 0.139 19217 1669 1 5 . 1 1 32 32 VAL H H 32 7.576 7.576 7.159 0.417 19217 1670 1 5 . 1 1 33 33 PHE N N 33 120.874 120.874 120.142 0.732 19217 1671 1 5 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.206 0.070 19217 1672 1 5 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.137 0.378 19217 1673 1 5 . 1 1 33 33 PHE CB C 33 39.353 39.353 38.967 0.387 19217 1674 1 5 . 1 1 33 33 PHE H H 33 9.246 9.246 8.815 0.431 19217 1675 1 5 . 1 1 34 34 ASP N N 34 119.331 119.331 120.129 -0.798 19217 1676 1 5 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.419 0.109 19217 1677 1 5 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.924 0.684 19217 1678 1 5 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.705 -0.783 19217 1679 1 5 . 1 1 34 34 ASP H H 34 9.507 9.507 8.761 0.746 19217 1680 1 5 . 1 1 35 35 GLU N N 35 118.378 118.378 119.232 -0.854 19217 1681 1 5 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.100 0.101 19217 1682 1 5 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.213 0.509 19217 1683 1 5 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.543 0.016 19217 1684 1 5 . 1 1 35 35 GLU H H 35 7.334 7.334 7.670 -0.336 19217 1685 1 5 . 1 1 36 36 ILE N N 36 119.241 119.241 120.832 -1.591 19217 1686 1 5 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.548 -0.105 19217 1687 1 5 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.391 1.370 19217 1688 1 5 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.561 0.891 19217 1689 1 5 . 1 1 36 36 ILE H H 36 8.054 8.054 7.750 0.304 19217 1690 1 5 . 1 1 37 37 GLN N N 37 117.541 117.541 118.536 -0.995 19217 1691 1 5 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.893 0.512 19217 1692 1 5 . 1 1 37 37 GLN CA C 37 60.016 60.016 58.975 1.040 19217 1693 1 5 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.691 -0.308 19217 1694 1 5 . 1 1 37 37 GLN H H 37 8.517 8.517 8.293 0.224 19217 1695 1 5 . 1 1 38 38 GLN N N 38 113.900 113.900 118.027 -4.127 19217 1696 1 5 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.060 0.184 19217 1697 1 5 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.273 0.249 19217 1698 1 5 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.742 1.453 19217 1699 1 5 . 1 1 38 38 GLN H H 38 8.023 8.023 7.747 0.276 19217 1700 1 5 . 1 1 39 39 LYS N N 39 117.850 117.850 119.420 -1.570 19217 1701 1 5 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.947 0.209 19217 1702 1 5 . 1 1 39 39 LYS CA C 39 58.883 58.883 58.978 -0.095 19217 1703 1 5 . 1 1 39 39 LYS CB C 39 32.919 32.919 31.991 0.928 19217 1704 1 5 . 1 1 39 39 LYS H H 39 8.480 8.480 8.228 0.252 19217 1705 1 5 . 1 1 40 40 LEU N N 40 114.726 114.726 115.867 -1.141 19217 1706 1 5 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.364 -0.181 19217 1707 1 5 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.554 -0.324 19217 1708 1 5 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.594 -0.805 19217 1709 1 5 . 1 1 40 40 LEU H H 40 8.427 8.427 7.776 0.651 19217 1710 1 5 . 1 1 41 41 HIS N N 41 115.299 115.299 112.439 2.860 19217 1711 1 5 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.178 -0.733 19217 1712 1 5 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.617 -2.894 19217 1713 1 5 . 1 1 41 41 HIS CB C 41 25.218 25.218 26.011 -0.793 19217 1714 1 5 . 1 1 41 41 HIS H H 41 7.466 7.466 7.329 0.137 19217 1715 1 5 . 1 1 42 42 CYS N N 42 116.999 116.999 111.194 5.805 19217 1716 1 5 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.823 0.241 19217 1717 1 5 . 1 1 42 42 CYS CA C 42 53.833 53.833 55.810 -1.977 19217 1718 1 5 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.101 16.677 19217 1719 1 5 . 1 1 42 42 CYS H H 42 8.205 8.205 7.466 0.739 19217 1720 1 5 . 1 1 43 43 CYS N N 43 117.175 117.175 122.267 -5.092 19217 1721 1 5 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.023 0.119 19217 1722 1 5 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.179 -3.738 19217 1723 1 5 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.629 13.299 19217 1724 1 5 . 1 1 43 43 CYS H H 43 9.131 9.131 8.458 0.673 19217 1725 1 5 . 1 1 44 44 GLY N N 44 113.879 113.879 114.877 -0.998 19217 1726 1 5 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.391 -1.841 19217 1727 1 5 . 1 1 44 44 GLY H H 44 8.913 8.913 8.515 0.398 19217 1728 1 5 . 1 1 45 45 ALA N N 45 122.305 122.305 122.840 -0.535 19217 1729 1 5 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.146 0.378 19217 1730 1 5 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.215 -1.391 19217 1731 1 5 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.547 -0.826 19217 1732 1 5 . 1 1 45 45 ALA H H 45 9.057 9.057 8.262 0.795 19217 1733 1 5 . 1 1 46 46 ASP N N 46 119.678 119.678 114.737 4.941 19217 1734 1 5 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.849 -0.236 19217 1735 1 5 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.250 2.847 19217 1736 1 5 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.345 -0.867 19217 1737 1 5 . 1 1 46 46 ASP H H 46 9.741 9.741 8.077 1.664 19217 1738 1 5 . 1 1 47 47 SER N N 47 112.389 112.389 111.231 1.158 19217 1739 1 5 . 1 1 47 47 SER HA H 47 4.654 4.654 4.846 -0.192 19217 1740 1 5 . 1 1 47 47 SER CA C 47 57.626 57.626 56.763 0.863 19217 1741 1 5 . 1 1 47 47 SER CB C 47 64.037 64.037 63.183 0.854 19217 1742 1 5 . 1 1 47 47 SER H H 47 7.798 7.798 7.575 0.223 19217 1743 1 5 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.493 -0.348 19217 1744 1 5 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.082 1.048 19217 1745 1 5 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.130 0.217 19217 1746 1 5 . 1 1 49 49 LYS N N 49 115.074 115.074 117.408 -2.334 19217 1747 1 5 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.100 0.117 19217 1748 1 5 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.356 -1.057 19217 1749 1 5 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.270 -0.357 19217 1750 1 5 . 1 1 49 49 LYS H H 49 8.151 8.151 8.154 -0.003 19217 1751 1 5 . 1 1 50 50 ASP N N 50 122.818 122.818 118.823 3.995 19217 1752 1 5 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.312 -0.000 19217 1753 1 5 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.445 0.804 19217 1754 1 5 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.431 1.050 19217 1755 1 5 . 1 1 50 50 ASP H H 50 8.149 8.149 7.652 0.497 19217 1756 1 5 . 1 1 51 51 TYR N N 51 114.312 114.312 116.401 -2.089 19217 1757 1 5 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.323 0.053 19217 1758 1 5 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.557 -0.721 19217 1759 1 5 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.430 -0.526 19217 1760 1 5 . 1 1 51 51 TYR H H 51 7.260 7.260 7.530 -0.270 19217 1761 1 5 . 1 1 52 52 GLY N N 52 109.793 109.793 106.506 3.287 19217 1762 1 5 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.510 0.330 19217 1763 1 5 . 1 1 52 52 GLY H H 52 7.967 7.967 7.566 0.401 19217 1764 1 5 . 1 1 53 53 GLU N N 53 123.571 123.571 122.144 1.427 19217 1765 1 5 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.607 -0.405 19217 1766 1 5 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.177 0.928 19217 1767 1 5 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.849 0.171 19217 1768 1 5 . 1 1 53 53 GLU H H 53 8.788 8.788 8.694 0.094 19217 1769 1 5 . 1 1 54 54 ASN N N 54 115.160 115.160 118.833 -3.673 19217 1770 1 5 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.912 0.310 19217 1771 1 5 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.412 -1.448 19217 1772 1 5 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.574 0.826 19217 1773 1 5 . 1 1 54 54 ASN H H 54 7.853 7.853 8.340 -0.487 19217 1774 1 5 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.263 -0.218 19217 1775 1 5 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.440 -0.152 19217 1776 1 5 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.240 -0.569 19217 1777 1 5 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.331 0.202 19217 1778 1 5 . 1 1 56 56 PRO CA C 56 61.694 61.694 61.967 -0.273 19217 1779 1 5 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.301 1.156 19217 1780 1 5 . 1 1 57 57 THR N N 57 116.449 116.449 115.664 0.785 19217 1781 1 5 . 1 1 57 57 THR HA H 57 3.832 3.832 3.944 -0.112 19217 1782 1 5 . 1 1 57 57 THR CA C 57 65.318 65.318 64.816 0.502 19217 1783 1 5 . 1 1 57 57 THR CB C 57 68.433 68.433 68.511 -0.078 19217 1784 1 5 . 1 1 57 57 THR H H 57 8.894 8.894 8.757 0.137 19217 1785 1 5 . 1 1 58 58 SER N N 58 113.767 113.767 116.339 -2.572 19217 1786 1 5 . 1 1 58 58 SER HA H 58 4.409 4.409 4.479 -0.070 19217 1787 1 5 . 1 1 58 58 SER CA C 58 59.123 59.123 60.908 -1.785 19217 1788 1 5 . 1 1 58 58 SER CB C 58 62.669 62.669 62.681 -0.012 19217 1789 1 5 . 1 1 58 58 SER H H 58 7.839 7.839 8.286 -0.447 19217 1790 1 5 . 1 1 59 59 CYS N N 59 117.062 117.062 119.108 -2.046 19217 1791 1 5 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.623 0.159 19217 1792 1 5 . 1 1 59 59 CYS CA C 59 60.912 60.912 60.045 0.867 19217 1793 1 5 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.177 19.640 19217 1794 1 5 . 1 1 59 59 CYS H H 59 7.397 7.397 7.773 -0.376 19217 1795 1 5 . 1 1 60 60 SER N N 60 112.368 112.368 111.927 0.441 19217 1796 1 5 . 1 1 60 60 SER HA H 60 4.258 4.258 4.550 -0.292 19217 1797 1 5 . 1 1 60 60 SER CA C 60 56.925 56.925 56.167 0.758 19217 1798 1 5 . 1 1 60 60 SER CB C 60 67.049 67.049 66.246 0.803 19217 1799 1 5 . 1 1 60 60 SER H H 60 7.486 7.486 7.265 0.221 19217 1800 1 5 . 1 1 61 61 LYS N N 61 120.402 120.402 121.674 -1.272 19217 1801 1 5 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.534 -0.143 19217 1802 1 5 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.265 -0.948 19217 1803 1 5 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.781 1.163 19217 1804 1 5 . 1 1 61 61 LYS H H 61 7.918 7.918 8.058 -0.140 19217 1805 1 5 . 1 1 62 62 ASP N N 62 128.253 128.253 124.754 3.499 19217 1806 1 5 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.350 -0.070 19217 1807 1 5 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.033 0.666 19217 1808 1 5 . 1 1 62 62 ASP CB C 62 39.522 39.522 39.969 -0.447 19217 1809 1 5 . 1 1 62 62 ASP H H 62 9.517 9.517 8.912 0.605 19217 1810 1 5 . 1 1 63 63 GLY N N 63 103.421 103.421 104.431 -1.010 19217 1811 1 5 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.343 -0.141 19217 1812 1 5 . 1 1 63 63 GLY H H 63 8.597 8.597 8.427 0.170 19217 1813 1 5 . 1 1 64 64 VAL N N 64 122.304 122.304 118.816 3.488 19217 1814 1 5 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.272 -0.213 19217 1815 1 5 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.251 1.391 19217 1816 1 5 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.391 -2.108 19217 1817 1 5 . 1 1 64 64 VAL H H 64 7.630 7.630 7.099 0.531 19217 1818 1 5 . 1 1 65 65 GLN N N 65 126.376 126.376 123.756 2.620 19217 1819 1 5 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.272 -0.149 19217 1820 1 5 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.380 0.604 19217 1821 1 5 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.964 -0.827 19217 1822 1 5 . 1 1 65 65 GLN H H 65 8.366 8.366 8.346 0.020 19217 1823 1 5 . 1 1 66 66 PHE N N 66 126.770 126.770 126.111 0.659 19217 1824 1 5 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.541 0.384 19217 1825 1 5 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.087 -1.645 19217 1826 1 5 . 1 1 66 66 PHE CB C 66 37.592 37.592 37.735 -0.143 19217 1827 1 5 . 1 1 66 66 PHE H H 66 8.606 8.606 8.194 0.412 19217 1828 1 5 . 1 1 67 67 THR N N 67 110.796 110.796 113.215 -2.419 19217 1829 1 5 . 1 1 67 67 THR HA H 67 4.378 4.378 4.416 -0.038 19217 1830 1 5 . 1 1 67 67 THR CA C 67 62.290 62.290 61.417 0.873 19217 1831 1 5 . 1 1 67 67 THR CB C 67 69.730 69.730 69.538 0.192 19217 1832 1 5 . 1 1 67 67 THR H H 67 8.105 8.105 8.170 -0.065 19217 1833 1 5 . 1 1 68 68 GLU N N 68 122.415 122.415 120.248 2.167 19217 1834 1 5 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.596 0.040 19217 1835 1 5 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.356 0.913 19217 1836 1 5 . 1 1 68 68 GLU CB C 68 32.089 32.089 31.714 0.375 19217 1837 1 5 . 1 1 68 68 GLU H H 68 8.171 8.171 7.853 0.318 19217 1838 1 5 . 1 1 69 69 GLY N N 69 109.155 109.155 109.305 -0.150 19217 1839 1 5 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.982 -0.621 19217 1840 1 5 . 1 1 69 69 GLY H H 69 8.870 8.870 8.662 0.208 19217 1841 1 5 . 1 1 70 70 CYS N N 70 116.376 116.376 119.759 -3.383 19217 1842 1 5 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.541 -0.096 19217 1843 1 5 . 1 1 70 70 CYS CA C 70 56.449 56.449 60.404 -3.955 19217 1844 1 5 . 1 1 70 70 CYS CB C 70 41.791 41.791 27.861 13.930 19217 1845 1 5 . 1 1 70 70 CYS H H 70 8.335 8.335 8.303 0.032 19217 1846 1 5 . 1 1 71 71 ILE N N 71 121.812 121.812 121.016 0.796 19217 1847 1 5 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.551 -0.032 19217 1848 1 5 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.116 0.691 19217 1849 1 5 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.614 -0.788 19217 1850 1 5 . 1 1 71 71 ILE H H 71 9.129 9.129 8.661 0.468 19217 1851 1 5 . 1 1 72 72 LYS N N 72 121.424 121.424 118.838 2.586 19217 1852 1 5 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.143 -0.128 19217 1853 1 5 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.597 -0.394 19217 1854 1 5 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.224 -0.141 19217 1855 1 5 . 1 1 72 72 LYS H H 72 8.179 8.179 8.381 -0.202 19217 1856 1 5 . 1 1 73 73 LYS N N 73 115.131 115.131 120.141 -5.010 19217 1857 1 5 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.135 0.048 19217 1858 1 5 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.144 -1.402 19217 1859 1 5 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.116 0.066 19217 1860 1 5 . 1 1 73 73 LYS H H 73 7.287 7.287 7.273 0.014 19217 1861 1 5 . 1 1 74 74 VAL N N 74 117.637 117.637 116.085 1.552 19217 1862 1 5 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.728 -0.096 19217 1863 1 5 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.543 -0.604 19217 1864 1 5 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.567 0.865 19217 1865 1 5 . 1 1 74 74 VAL H H 74 8.398 8.398 8.511 -0.113 19217 1866 1 5 . 1 1 75 75 SER N N 75 117.090 117.090 115.505 1.585 19217 1867 1 5 . 1 1 75 75 SER HA H 75 4.144 4.144 4.179 -0.035 19217 1868 1 5 . 1 1 75 75 SER CA C 75 61.816 61.816 60.824 0.992 19217 1869 1 5 . 1 1 75 75 SER CB C 75 62.840 62.840 62.638 0.202 19217 1870 1 5 . 1 1 75 75 SER H H 75 8.249 8.249 7.783 0.466 19217 1871 1 5 . 1 1 76 76 ASP N N 76 121.102 121.102 122.803 -1.701 19217 1872 1 5 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.376 0.100 19217 1873 1 5 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.578 -1.161 19217 1874 1 5 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.819 -0.383 19217 1875 1 5 . 1 1 76 76 ASP H H 76 8.240 8.240 7.439 0.801 19217 1876 1 5 . 1 1 77 77 LEU N N 77 119.967 119.967 116.162 3.805 19217 1877 1 5 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.129 0.082 19217 1878 1 5 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.897 -1.236 19217 1879 1 5 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.762 0.454 19217 1880 1 5 . 1 1 77 77 LEU H H 77 7.728 7.728 7.594 0.134 19217 1881 1 5 . 1 1 78 78 SER N N 78 113.729 113.729 113.821 -0.092 19217 1882 1 5 . 1 1 78 78 SER HA H 78 4.379 4.379 4.242 0.137 19217 1883 1 5 . 1 1 78 78 SER CA C 78 59.286 59.286 60.630 -1.344 19217 1884 1 5 . 1 1 78 78 SER CB C 78 63.761 63.761 63.827 -0.066 19217 1885 1 5 . 1 1 78 78 SER H H 78 7.873 7.873 7.513 0.360 19217 1886 1 5 . 1 1 79 79 LYS N N 79 121.616 121.616 119.258 2.358 19217 1887 1 5 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.338 -0.050 19217 1888 1 5 . 1 1 79 79 LYS CA C 79 56.416 56.416 55.851 0.565 19217 1889 1 5 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.919 -0.077 19217 1890 1 5 . 1 1 79 79 LYS H H 79 7.741 7.741 7.727 0.014 19217 1891 1 5 . 1 1 80 80 ALA N N 80 124.562 124.562 124.812 -0.250 19217 1892 1 5 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.159 0.115 19217 1893 1 5 . 1 1 80 80 ALA CA C 80 52.613 52.613 53.698 -1.085 19217 1894 1 5 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.083 0.187 19217 1895 1 5 . 1 1 80 80 ALA H H 80 8.044 8.044 7.711 0.333 19217 1896 1 6 . 1 1 2 2 SER N N 2 115.654 115.654 114.157 1.497 19217 1897 1 6 . 1 1 2 2 SER HA H 2 4.496 4.496 4.608 -0.112 19217 1898 1 6 . 1 1 2 2 SER CA C 2 58.438 58.438 58.489 -0.051 19217 1899 1 6 . 1 1 2 2 SER CB C 2 63.859 63.859 64.781 -0.922 19217 1900 1 6 . 1 1 2 2 SER H H 2 8.716 8.716 8.477 0.239 19217 1901 1 6 . 1 1 3 3 ASN N N 3 120.885 120.885 120.245 0.640 19217 1902 1 6 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.708 0.020 19217 1903 1 6 . 1 1 3 3 ASN CA C 3 53.319 53.319 52.756 0.563 19217 1904 1 6 . 1 1 3 3 ASN CB C 3 38.647 38.647 38.791 -0.144 19217 1905 1 6 . 1 1 3 3 ASN H H 3 8.703 8.703 8.011 0.692 19217 1906 1 6 . 1 1 4 4 GLU N N 4 120.920 120.920 118.756 2.164 19217 1907 1 6 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.122 0.150 19217 1908 1 6 . 1 1 4 4 GLU CA C 4 56.434 56.434 57.328 -0.894 19217 1909 1 6 . 1 1 4 4 GLU CB C 4 30.469 30.469 28.470 1.999 19217 1910 1 6 . 1 1 4 4 GLU H H 4 8.261 8.261 8.584 -0.323 19217 1911 1 6 . 1 1 5 5 LYS N N 5 124.113 124.113 120.819 3.294 19217 1912 1 6 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.801 -0.253 19217 1913 1 6 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.018 0.612 19217 1914 1 6 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.204 -0.110 19217 1915 1 6 . 1 1 5 5 LYS H H 5 8.452 8.452 8.252 0.200 19217 1916 1 6 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.583 -0.201 19217 1917 1 6 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.562 0.804 19217 1918 1 6 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.978 -0.845 19217 1919 1 6 . 1 1 7 7 LYS N N 7 121.721 121.721 120.283 1.438 19217 1920 1 6 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.464 -0.182 19217 1921 1 6 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.742 0.838 19217 1922 1 6 . 1 1 7 7 LYS CB C 7 32.989 32.989 31.986 1.003 19217 1923 1 6 . 1 1 7 7 LYS H H 7 8.449 8.449 8.314 0.135 19217 1924 1 6 . 1 1 8 8 VAL N N 8 121.294 121.294 123.520 -2.226 19217 1925 1 6 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.405 -0.375 19217 1926 1 6 . 1 1 8 8 VAL CA C 8 62.751 62.751 60.513 2.238 19217 1927 1 6 . 1 1 8 8 VAL CB C 8 32.778 32.778 34.254 -1.476 19217 1928 1 6 . 1 1 8 8 VAL H H 8 8.062 8.062 8.353 -0.291 19217 1929 1 6 . 1 1 9 9 LYS N N 9 125.108 125.108 125.096 0.012 19217 1930 1 6 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.274 -0.073 19217 1931 1 6 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.962 -1.687 19217 1932 1 6 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.474 0.408 19217 1933 1 6 . 1 1 9 9 LYS H H 9 8.429 8.429 8.809 -0.380 19217 1934 1 6 . 1 1 10 10 LYS N N 10 122.428 122.428 117.879 4.549 19217 1935 1 6 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.411 -0.211 19217 1936 1 6 . 1 1 10 10 LYS CA C 10 57.424 57.424 56.091 1.333 19217 1937 1 6 . 1 1 10 10 LYS CB C 10 32.908 32.908 30.927 1.981 19217 1938 1 6 . 1 1 10 10 LYS H H 10 8.322 8.322 8.544 -0.222 19217 1939 1 6 . 1 1 11 11 HIS N N 11 119.909 119.909 117.138 2.771 19217 1940 1 6 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.419 0.192 19217 1941 1 6 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.687 -1.693 19217 1942 1 6 . 1 1 11 11 HIS CB C 11 29.609 29.609 28.721 0.888 19217 1943 1 6 . 1 1 11 11 HIS H H 11 8.402 8.402 7.879 0.523 19217 1944 1 6 . 1 1 12 12 ILE N N 12 121.819 121.819 120.539 1.280 19217 1945 1 6 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.352 0.507 19217 1946 1 6 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.817 -1.452 19217 1947 1 6 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.306 1.049 19217 1948 1 6 . 1 1 12 12 ILE H H 12 8.152 8.152 7.328 0.824 19217 1949 1 6 . 1 1 13 13 THR N N 13 116.420 116.420 113.977 2.443 19217 1950 1 6 . 1 1 13 13 THR HA H 13 3.933 3.933 3.920 0.013 19217 1951 1 6 . 1 1 13 13 THR CA C 13 64.847 64.847 66.631 -1.784 19217 1952 1 6 . 1 1 13 13 THR CB C 13 68.899 68.899 68.261 0.638 19217 1953 1 6 . 1 1 13 13 THR H H 13 8.095 8.095 7.816 0.279 19217 1954 1 6 . 1 1 14 14 SER N N 14 116.367 116.367 117.336 -0.969 19217 1955 1 6 . 1 1 14 14 SER HA H 14 4.230 4.230 4.243 -0.013 19217 1956 1 6 . 1 1 14 14 SER CA C 14 60.111 60.111 61.267 -1.155 19217 1957 1 6 . 1 1 14 14 SER CB C 14 63.317 63.317 63.138 0.179 19217 1958 1 6 . 1 1 14 14 SER H H 14 8.111 8.111 7.824 0.287 19217 1959 1 6 . 1 1 15 15 ALA N N 15 124.756 124.756 124.984 -0.228 19217 1960 1 6 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.191 -0.061 19217 1961 1 6 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.830 0.008 19217 1962 1 6 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.478 0.287 19217 1963 1 6 . 1 1 15 15 ALA H H 15 8.248 8.248 7.581 0.667 19217 1964 1 6 . 1 1 16 16 LEU N N 16 116.067 116.067 119.942 -3.875 19217 1965 1 6 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.160 -0.121 19217 1966 1 6 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.465 -0.590 19217 1967 1 6 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.772 -0.380 19217 1968 1 6 . 1 1 16 16 LEU H H 16 8.188 8.188 8.664 -0.476 19217 1969 1 6 . 1 1 17 17 LYS N N 17 119.021 119.021 118.197 0.824 19217 1970 1 6 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.951 -0.122 19217 1971 1 6 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.354 -0.428 19217 1972 1 6 . 1 1 17 17 LYS CB C 17 31.963 31.963 31.960 0.003 19217 1973 1 6 . 1 1 17 17 LYS H H 17 7.870 7.870 7.908 -0.038 19217 1974 1 6 . 1 1 18 18 LYS N N 18 117.677 117.677 119.415 -1.738 19217 1975 1 6 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.103 0.008 19217 1976 1 6 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.801 -0.097 19217 1977 1 6 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.529 -0.309 19217 1978 1 6 . 1 1 18 18 LYS H H 18 7.598 7.598 7.499 0.099 19217 1979 1 6 . 1 1 19 19 LEU N N 19 117.430 117.430 121.112 -3.682 19217 1980 1 6 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.890 0.185 19217 1981 1 6 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.948 -0.427 19217 1982 1 6 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.744 0.211 19217 1983 1 6 . 1 1 19 19 LEU H H 19 7.594 7.594 7.950 -0.356 19217 1984 1 6 . 1 1 20 20 VAL N N 20 118.252 118.252 115.058 3.194 19217 1985 1 6 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.419 -0.056 19217 1986 1 6 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.353 1.693 19217 1987 1 6 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.841 -0.685 19217 1988 1 6 . 1 1 20 20 VAL H H 20 7.662 7.662 7.539 0.123 19217 1989 1 6 . 1 1 21 21 ASP N N 21 119.557 119.557 119.585 -0.028 19217 1990 1 6 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.454 0.016 19217 1991 1 6 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.548 0.098 19217 1992 1 6 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.890 0.025 19217 1993 1 6 . 1 1 21 21 ASP H H 21 7.645 7.645 7.506 0.139 19217 1994 1 6 . 1 1 22 22 LYS N N 22 117.493 117.493 118.611 -1.118 19217 1995 1 6 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.511 0.044 19217 1996 1 6 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.011 1.260 19217 1997 1 6 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.866 1.939 19217 1998 1 6 . 1 1 22 22 LYS H H 22 7.782 7.782 8.046 -0.264 19217 1999 1 6 . 1 1 23 23 TYR N N 23 121.877 121.877 121.285 0.592 19217 2000 1 6 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.127 -0.428 19217 2001 1 6 . 1 1 23 23 TYR CA C 23 63.376 63.376 61.885 1.491 19217 2002 1 6 . 1 1 23 23 TYR CB C 23 40.332 40.332 39.057 1.275 19217 2003 1 6 . 1 1 23 23 TYR H H 23 7.738 7.738 7.238 0.500 19217 2004 1 6 . 1 1 24 24 ARG N N 24 111.739 111.739 116.766 -5.027 19217 2005 1 6 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.389 -0.247 19217 2006 1 6 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.834 1.040 19217 2007 1 6 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.774 0.025 19217 2008 1 6 . 1 1 24 24 ARG H H 24 8.577 8.577 8.667 -0.090 19217 2009 1 6 . 1 1 25 25 ASN N N 25 113.359 113.359 117.170 -3.811 19217 2010 1 6 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.823 0.197 19217 2011 1 6 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.157 -0.842 19217 2012 1 6 . 1 1 25 25 ASN CB C 25 40.874 40.874 41.047 -0.173 19217 2013 1 6 . 1 1 25 25 ASN H H 25 7.711 7.711 7.686 0.025 19217 2014 1 6 . 1 1 26 26 ASP N N 26 120.181 120.181 120.914 -0.733 19217 2015 1 6 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.919 0.012 19217 2016 1 6 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.021 0.575 19217 2017 1 6 . 1 1 26 26 ASP CB C 26 43.635 43.635 42.264 1.371 19217 2018 1 6 . 1 1 26 26 ASP H H 26 7.424 7.424 8.247 -0.823 19217 2019 1 6 . 1 1 27 27 GLU N N 27 126.678 126.678 125.800 0.878 19217 2020 1 6 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.846 -0.044 19217 2021 1 6 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.744 -0.554 19217 2022 1 6 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.322 0.438 19217 2023 1 6 . 1 1 27 27 GLU H H 27 9.073 9.073 8.900 0.173 19217 2024 1 6 . 1 1 28 28 HIS N N 28 118.927 118.927 118.106 0.821 19217 2025 1 6 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.328 0.083 19217 2026 1 6 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.332 0.445 19217 2027 1 6 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.497 -1.680 19217 2028 1 6 . 1 1 28 28 HIS H H 28 8.585 8.585 8.510 0.075 19217 2029 1 6 . 1 1 29 29 VAL N N 29 120.860 120.860 117.778 3.082 19217 2030 1 6 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.849 -0.409 19217 2031 1 6 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.196 1.481 19217 2032 1 6 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.032 0.472 19217 2033 1 6 . 1 1 29 29 VAL H H 29 7.811 7.811 7.485 0.326 19217 2034 1 6 . 1 1 30 30 ARG N N 30 119.042 119.042 120.103 -1.061 19217 2035 1 6 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.686 0.190 19217 2036 1 6 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.704 0.570 19217 2037 1 6 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.381 0.673 19217 2038 1 6 . 1 1 30 30 ARG H H 30 7.919 7.919 7.658 0.261 19217 2039 1 6 . 1 1 31 31 LYS N N 31 116.630 116.630 118.715 -2.085 19217 2040 1 6 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.078 0.048 19217 2041 1 6 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.404 0.181 19217 2042 1 6 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.840 0.623 19217 2043 1 6 . 1 1 31 31 LYS H H 31 7.583 7.583 7.630 -0.047 19217 2044 1 6 . 1 1 32 32 VAL N N 32 118.507 118.507 120.051 -1.544 19217 2045 1 6 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.864 -0.079 19217 2046 1 6 . 1 1 32 32 VAL CA C 32 66.099 66.099 65.299 0.800 19217 2047 1 6 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.529 0.741 19217 2048 1 6 . 1 1 32 32 VAL H H 32 7.576 7.576 7.335 0.241 19217 2049 1 6 . 1 1 33 33 PHE N N 33 120.874 120.874 120.055 0.819 19217 2050 1 6 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.197 0.079 19217 2051 1 6 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.169 0.346 19217 2052 1 6 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.297 0.056 19217 2053 1 6 . 1 1 33 33 PHE H H 33 9.246 9.246 8.936 0.310 19217 2054 1 6 . 1 1 34 34 ASP N N 34 119.331 119.331 120.921 -1.590 19217 2055 1 6 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.409 0.119 19217 2056 1 6 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.940 0.668 19217 2057 1 6 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.862 -0.941 19217 2058 1 6 . 1 1 34 34 ASP H H 34 9.507 9.507 8.673 0.834 19217 2059 1 6 . 1 1 35 35 GLU N N 35 118.378 118.378 119.405 -1.027 19217 2060 1 6 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.091 0.110 19217 2061 1 6 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.128 0.594 19217 2062 1 6 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.543 0.016 19217 2063 1 6 . 1 1 35 35 GLU H H 35 7.334 7.334 7.595 -0.261 19217 2064 1 6 . 1 1 36 36 ILE N N 36 119.241 119.241 120.678 -1.437 19217 2065 1 6 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.578 -0.135 19217 2066 1 6 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.239 1.522 19217 2067 1 6 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.600 0.852 19217 2068 1 6 . 1 1 36 36 ILE H H 36 8.054 8.054 7.546 0.508 19217 2069 1 6 . 1 1 37 37 GLN N N 37 117.541 117.541 118.794 -1.253 19217 2070 1 6 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.898 0.507 19217 2071 1 6 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.018 0.998 19217 2072 1 6 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.661 -0.278 19217 2073 1 6 . 1 1 37 37 GLN H H 37 8.517 8.517 8.294 0.223 19217 2074 1 6 . 1 1 38 38 GLN N N 38 113.900 113.900 117.807 -3.907 19217 2075 1 6 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.050 0.194 19217 2076 1 6 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.243 0.279 19217 2077 1 6 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.744 1.451 19217 2078 1 6 . 1 1 38 38 GLN H H 38 8.023 8.023 7.785 0.238 19217 2079 1 6 . 1 1 39 39 LYS N N 39 117.850 117.850 119.746 -1.896 19217 2080 1 6 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.921 0.234 19217 2081 1 6 . 1 1 39 39 LYS CA C 39 58.883 58.883 58.978 -0.096 19217 2082 1 6 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.032 0.887 19217 2083 1 6 . 1 1 39 39 LYS H H 39 8.480 8.480 8.134 0.346 19217 2084 1 6 . 1 1 40 40 LEU N N 40 114.726 114.726 115.947 -1.221 19217 2085 1 6 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.371 -0.188 19217 2086 1 6 . 1 1 40 40 LEU CA C 40 54.230 54.230 53.930 0.300 19217 2087 1 6 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.603 -0.814 19217 2088 1 6 . 1 1 40 40 LEU H H 40 8.427 8.427 7.779 0.648 19217 2089 1 6 . 1 1 41 41 HIS N N 41 115.299 115.299 114.187 1.112 19217 2090 1 6 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.128 -0.683 19217 2091 1 6 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.544 -2.821 19217 2092 1 6 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.637 -0.419 19217 2093 1 6 . 1 1 41 41 HIS H H 41 7.466 7.466 7.360 0.106 19217 2094 1 6 . 1 1 42 42 CYS N N 42 116.999 116.999 110.929 6.070 19217 2095 1 6 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.849 0.215 19217 2096 1 6 . 1 1 42 42 CYS CA C 42 53.833 53.833 55.855 -2.022 19217 2097 1 6 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.152 16.626 19217 2098 1 6 . 1 1 42 42 CYS H H 42 8.205 8.205 7.472 0.733 19217 2099 1 6 . 1 1 43 43 CYS N N 43 117.175 117.175 121.937 -4.762 19217 2100 1 6 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.110 0.032 19217 2101 1 6 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.254 -3.813 19217 2102 1 6 . 1 1 43 43 CYS CB C 43 42.928 42.928 30.066 12.863 19217 2103 1 6 . 1 1 43 43 CYS H H 43 9.131 9.131 8.425 0.706 19217 2104 1 6 . 1 1 44 44 GLY N N 44 113.879 113.879 114.255 -0.376 19217 2105 1 6 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.502 -1.952 19217 2106 1 6 . 1 1 44 44 GLY H H 44 8.913 8.913 8.544 0.369 19217 2107 1 6 . 1 1 45 45 ALA N N 45 122.305 122.305 122.368 -0.063 19217 2108 1 6 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.160 0.364 19217 2109 1 6 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.119 -1.295 19217 2110 1 6 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.796 -1.073 19217 2111 1 6 . 1 1 45 45 ALA H H 45 9.057 9.057 8.199 0.858 19217 2112 1 6 . 1 1 46 46 ASP N N 46 119.678 119.678 115.003 4.675 19217 2113 1 6 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.907 -0.294 19217 2114 1 6 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.623 2.474 19217 2115 1 6 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.401 -0.923 19217 2116 1 6 . 1 1 46 46 ASP H H 46 9.741 9.741 7.962 1.779 19217 2117 1 6 . 1 1 47 47 SER N N 47 112.389 112.389 112.853 -0.464 19217 2118 1 6 . 1 1 47 47 SER HA H 47 4.654 4.654 4.859 -0.205 19217 2119 1 6 . 1 1 47 47 SER CA C 47 57.626 57.626 57.054 0.571 19217 2120 1 6 . 1 1 47 47 SER CB C 47 64.037 64.037 64.528 -0.492 19217 2121 1 6 . 1 1 47 47 SER H H 47 7.798 7.798 7.498 0.300 19217 2122 1 6 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.536 -0.391 19217 2123 1 6 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.258 0.872 19217 2124 1 6 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.164 0.183 19217 2125 1 6 . 1 1 49 49 LYS N N 49 115.074 115.074 117.385 -2.311 19217 2126 1 6 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.097 0.120 19217 2127 1 6 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.221 -0.923 19217 2128 1 6 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.165 -0.251 19217 2129 1 6 . 1 1 49 49 LYS H H 49 8.151 8.151 8.165 -0.014 19217 2130 1 6 . 1 1 50 50 ASP N N 50 122.818 122.818 119.075 3.743 19217 2131 1 6 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.308 0.004 19217 2132 1 6 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.683 0.566 19217 2133 1 6 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.476 1.005 19217 2134 1 6 . 1 1 50 50 ASP H H 50 8.149 8.149 7.669 0.480 19217 2135 1 6 . 1 1 51 51 TYR N N 51 114.312 114.312 116.721 -2.409 19217 2136 1 6 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.380 -0.004 19217 2137 1 6 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.723 -0.887 19217 2138 1 6 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.402 -0.498 19217 2139 1 6 . 1 1 51 51 TYR H H 51 7.260 7.260 7.552 -0.292 19217 2140 1 6 . 1 1 52 52 GLY N N 52 109.793 109.793 106.456 3.337 19217 2141 1 6 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.439 0.400 19217 2142 1 6 . 1 1 52 52 GLY H H 52 7.967 7.967 7.437 0.530 19217 2143 1 6 . 1 1 53 53 GLU N N 53 123.571 123.571 122.405 1.166 19217 2144 1 6 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.569 -0.367 19217 2145 1 6 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.187 0.918 19217 2146 1 6 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.626 0.394 19217 2147 1 6 . 1 1 53 53 GLU H H 53 8.788 8.788 8.790 -0.002 19217 2148 1 6 . 1 1 54 54 ASN N N 54 115.160 115.160 119.015 -3.855 19217 2149 1 6 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.915 0.307 19217 2150 1 6 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.416 -1.452 19217 2151 1 6 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.524 0.876 19217 2152 1 6 . 1 1 54 54 ASN H H 54 7.853 7.853 8.317 -0.464 19217 2153 1 6 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.374 -0.329 19217 2154 1 6 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.521 -0.233 19217 2155 1 6 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.283 -0.612 19217 2156 1 6 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.343 0.190 19217 2157 1 6 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.015 -0.321 19217 2158 1 6 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.318 1.139 19217 2159 1 6 . 1 1 57 57 THR N N 57 116.449 116.449 115.361 1.088 19217 2160 1 6 . 1 1 57 57 THR HA H 57 3.832 3.832 3.925 -0.093 19217 2161 1 6 . 1 1 57 57 THR CA C 57 65.318 65.318 64.639 0.679 19217 2162 1 6 . 1 1 57 57 THR CB C 57 68.433 68.433 68.408 0.025 19217 2163 1 6 . 1 1 57 57 THR H H 57 8.894 8.894 8.641 0.253 19217 2164 1 6 . 1 1 58 58 SER N N 58 113.767 113.767 116.655 -2.888 19217 2165 1 6 . 1 1 58 58 SER HA H 58 4.409 4.409 4.306 0.103 19217 2166 1 6 . 1 1 58 58 SER CA C 58 59.123 59.123 60.388 -1.265 19217 2167 1 6 . 1 1 58 58 SER CB C 58 62.669 62.669 62.492 0.177 19217 2168 1 6 . 1 1 58 58 SER H H 58 7.839 7.839 8.346 -0.507 19217 2169 1 6 . 1 1 59 59 CYS N N 59 117.062 117.062 118.454 -1.392 19217 2170 1 6 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.526 0.256 19217 2171 1 6 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.499 1.413 19217 2172 1 6 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.280 19.537 19217 2173 1 6 . 1 1 59 59 CYS H H 59 7.397 7.397 7.595 -0.198 19217 2174 1 6 . 1 1 60 60 SER N N 60 112.368 112.368 111.688 0.680 19217 2175 1 6 . 1 1 60 60 SER HA H 60 4.258 4.258 4.598 -0.340 19217 2176 1 6 . 1 1 60 60 SER CA C 60 56.925 56.925 56.511 0.414 19217 2177 1 6 . 1 1 60 60 SER CB C 60 67.049 67.049 66.079 0.971 19217 2178 1 6 . 1 1 60 60 SER H H 60 7.486 7.486 7.253 0.233 19217 2179 1 6 . 1 1 61 61 LYS N N 61 120.402 120.402 121.784 -1.382 19217 2180 1 6 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.613 -0.222 19217 2181 1 6 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.796 -0.479 19217 2182 1 6 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.990 0.954 19217 2183 1 6 . 1 1 61 61 LYS H H 61 7.918 7.918 8.109 -0.191 19217 2184 1 6 . 1 1 62 62 ASP N N 62 128.253 128.253 125.411 2.842 19217 2185 1 6 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.359 -0.079 19217 2186 1 6 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.040 0.659 19217 2187 1 6 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.188 -0.666 19217 2188 1 6 . 1 1 62 62 ASP H H 62 9.517 9.517 8.933 0.584 19217 2189 1 6 . 1 1 63 63 GLY N N 63 103.421 103.421 104.842 -1.421 19217 2190 1 6 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.284 -0.082 19217 2191 1 6 . 1 1 63 63 GLY H H 63 8.597 8.597 8.381 0.216 19217 2192 1 6 . 1 1 64 64 VAL N N 64 122.304 122.304 118.827 3.477 19217 2193 1 6 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.278 -0.219 19217 2194 1 6 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.254 1.388 19217 2195 1 6 . 1 1 64 64 VAL CB C 64 33.283 33.283 34.523 -1.240 19217 2196 1 6 . 1 1 64 64 VAL H H 64 7.630 7.630 7.108 0.522 19217 2197 1 6 . 1 1 65 65 GLN N N 65 126.376 126.376 124.325 2.051 19217 2198 1 6 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.255 -0.132 19217 2199 1 6 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.303 0.681 19217 2200 1 6 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.944 -0.807 19217 2201 1 6 . 1 1 65 65 GLN H H 65 8.366 8.366 8.470 -0.104 19217 2202 1 6 . 1 1 66 66 PHE N N 66 126.770 126.770 126.796 -0.026 19217 2203 1 6 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.538 0.387 19217 2204 1 6 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.779 -1.337 19217 2205 1 6 . 1 1 66 66 PHE CB C 66 37.592 37.592 37.953 -0.361 19217 2206 1 6 . 1 1 66 66 PHE H H 66 8.606 8.606 8.189 0.417 19217 2207 1 6 . 1 1 67 67 THR N N 67 110.796 110.796 113.750 -2.954 19217 2208 1 6 . 1 1 67 67 THR HA H 67 4.378 4.378 4.364 0.014 19217 2209 1 6 . 1 1 67 67 THR CA C 67 62.290 62.290 61.704 0.586 19217 2210 1 6 . 1 1 67 67 THR CB C 67 69.730 69.730 69.037 0.693 19217 2211 1 6 . 1 1 67 67 THR H H 67 8.105 8.105 8.224 -0.119 19217 2212 1 6 . 1 1 68 68 GLU N N 68 122.415 122.415 120.475 1.940 19217 2213 1 6 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.604 0.032 19217 2214 1 6 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.675 0.594 19217 2215 1 6 . 1 1 68 68 GLU CB C 68 32.089 32.089 31.569 0.520 19217 2216 1 6 . 1 1 68 68 GLU H H 68 8.171 8.171 7.807 0.364 19217 2217 1 6 . 1 1 69 69 GLY N N 69 109.155 109.155 109.292 -0.137 19217 2218 1 6 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.998 -0.637 19217 2219 1 6 . 1 1 69 69 GLY H H 69 8.870 8.870 8.682 0.188 19217 2220 1 6 . 1 1 70 70 CYS N N 70 116.376 116.376 119.710 -3.334 19217 2221 1 6 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.525 -0.080 19217 2222 1 6 . 1 1 70 70 CYS CA C 70 56.449 56.449 60.525 -4.076 19217 2223 1 6 . 1 1 70 70 CYS CB C 70 41.791 41.791 27.897 13.894 19217 2224 1 6 . 1 1 70 70 CYS H H 70 8.335 8.335 8.175 0.160 19217 2225 1 6 . 1 1 71 71 ILE N N 71 121.812 121.812 120.941 0.871 19217 2226 1 6 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.530 -0.011 19217 2227 1 6 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.124 0.683 19217 2228 1 6 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.598 -0.772 19217 2229 1 6 . 1 1 71 71 ILE H H 71 9.129 9.129 8.703 0.426 19217 2230 1 6 . 1 1 72 72 LYS N N 72 121.424 121.424 118.613 2.811 19217 2231 1 6 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.099 -0.084 19217 2232 1 6 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.635 -0.432 19217 2233 1 6 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.050 0.033 19217 2234 1 6 . 1 1 72 72 LYS H H 72 8.179 8.179 8.410 -0.231 19217 2235 1 6 . 1 1 73 73 LYS N N 73 115.131 115.131 119.879 -4.748 19217 2236 1 6 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.137 0.046 19217 2237 1 6 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.790 -1.048 19217 2238 1 6 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.021 0.161 19217 2239 1 6 . 1 1 73 73 LYS H H 73 7.287 7.287 7.352 -0.065 19217 2240 1 6 . 1 1 74 74 VAL N N 74 117.637 117.637 116.591 1.046 19217 2241 1 6 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.712 -0.080 19217 2242 1 6 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.505 -0.566 19217 2243 1 6 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.509 0.922 19217 2244 1 6 . 1 1 74 74 VAL H H 74 8.398 8.398 8.510 -0.112 19217 2245 1 6 . 1 1 75 75 SER N N 75 117.090 117.090 114.924 2.166 19217 2246 1 6 . 1 1 75 75 SER HA H 75 4.144 4.144 4.221 -0.077 19217 2247 1 6 . 1 1 75 75 SER CA C 75 61.816 61.816 60.694 1.122 19217 2248 1 6 . 1 1 75 75 SER CB C 75 62.840 62.840 62.890 -0.050 19217 2249 1 6 . 1 1 75 75 SER H H 75 8.249 8.249 7.750 0.499 19217 2250 1 6 . 1 1 76 76 ASP N N 76 121.102 121.102 122.615 -1.513 19217 2251 1 6 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.449 0.027 19217 2252 1 6 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.367 -0.950 19217 2253 1 6 . 1 1 76 76 ASP CB C 76 40.436 40.436 41.229 -0.793 19217 2254 1 6 . 1 1 76 76 ASP H H 76 8.240 8.240 7.504 0.736 19217 2255 1 6 . 1 1 77 77 LEU N N 77 119.967 119.967 115.964 4.003 19217 2256 1 6 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.226 -0.015 19217 2257 1 6 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.592 -0.932 19217 2258 1 6 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.787 0.429 19217 2259 1 6 . 1 1 77 77 LEU H H 77 7.728 7.728 7.739 -0.011 19217 2260 1 6 . 1 1 78 78 SER N N 78 113.729 113.729 115.239 -1.510 19217 2261 1 6 . 1 1 78 78 SER HA H 78 4.379 4.379 4.309 0.070 19217 2262 1 6 . 1 1 78 78 SER CA C 78 59.286 59.286 60.648 -1.362 19217 2263 1 6 . 1 1 78 78 SER CB C 78 63.761 63.761 63.441 0.320 19217 2264 1 6 . 1 1 78 78 SER H H 78 7.873 7.873 7.814 0.059 19217 2265 1 6 . 1 1 79 79 LYS N N 79 121.616 121.616 120.347 1.269 19217 2266 1 6 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.541 -0.253 19217 2267 1 6 . 1 1 79 79 LYS CA C 79 56.416 56.416 54.770 1.646 19217 2268 1 6 . 1 1 79 79 LYS CB C 79 32.842 32.842 31.690 1.152 19217 2269 1 6 . 1 1 79 79 LYS H H 79 7.741 7.741 7.737 0.004 19217 2270 1 6 . 1 1 80 80 ALA N N 80 124.562 124.562 122.493 2.069 19217 2271 1 6 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.240 0.034 19217 2272 1 6 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.910 -0.297 19217 2273 1 6 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.699 -0.429 19217 2274 1 6 . 1 1 80 80 ALA H H 80 8.044 8.044 7.271 0.773 19217 2275 1 7 . 1 1 2 2 SER N N 2 115.654 115.654 118.581 -2.927 19217 2276 1 7 . 1 1 2 2 SER HA H 2 4.496 4.496 4.652 -0.156 19217 2277 1 7 . 1 1 2 2 SER CA C 2 58.438 58.438 57.814 0.624 19217 2278 1 7 . 1 1 2 2 SER CB C 2 63.859 63.859 63.870 -0.011 19217 2279 1 7 . 1 1 2 2 SER H H 2 8.716 8.716 8.300 0.416 19217 2280 1 7 . 1 1 3 3 ASN N N 3 120.885 120.885 120.328 0.557 19217 2281 1 7 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.831 -0.103 19217 2282 1 7 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.019 0.300 19217 2283 1 7 . 1 1 3 3 ASN CB C 3 38.647 38.647 38.739 -0.092 19217 2284 1 7 . 1 1 3 3 ASN H H 3 8.703 8.703 8.512 0.191 19217 2285 1 7 . 1 1 4 4 GLU N N 4 120.920 120.920 121.322 -0.402 19217 2286 1 7 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.482 -0.210 19217 2287 1 7 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.405 0.029 19217 2288 1 7 . 1 1 4 4 GLU CB C 4 30.469 30.469 30.128 0.341 19217 2289 1 7 . 1 1 4 4 GLU H H 4 8.261 8.261 8.089 0.172 19217 2290 1 7 . 1 1 5 5 LYS N N 5 124.113 124.113 124.746 -0.633 19217 2291 1 7 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.767 -0.219 19217 2292 1 7 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.224 0.406 19217 2293 1 7 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.124 -0.030 19217 2294 1 7 . 1 1 5 5 LYS H H 5 8.452 8.452 8.629 -0.177 19217 2295 1 7 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.614 -0.232 19217 2296 1 7 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.597 0.769 19217 2297 1 7 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.702 -0.569 19217 2298 1 7 . 1 1 7 7 LYS N N 7 121.721 121.721 120.549 1.172 19217 2299 1 7 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.481 -0.199 19217 2300 1 7 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.874 0.706 19217 2301 1 7 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.885 0.104 19217 2302 1 7 . 1 1 7 7 LYS H H 7 8.449 8.449 8.319 0.130 19217 2303 1 7 . 1 1 8 8 VAL N N 8 121.294 121.294 123.419 -2.125 19217 2304 1 7 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.400 -0.370 19217 2305 1 7 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.072 1.679 19217 2306 1 7 . 1 1 8 8 VAL CB C 8 32.778 32.778 35.877 -3.099 19217 2307 1 7 . 1 1 8 8 VAL H H 8 8.062 8.062 8.578 -0.516 19217 2308 1 7 . 1 1 9 9 LYS N N 9 125.108 125.108 124.299 0.809 19217 2309 1 7 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.208 -0.007 19217 2310 1 7 . 1 1 9 9 LYS CA C 9 57.275 57.275 59.001 -1.726 19217 2311 1 7 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.194 0.688 19217 2312 1 7 . 1 1 9 9 LYS H H 9 8.429 8.429 8.920 -0.491 19217 2313 1 7 . 1 1 10 10 LYS N N 10 122.428 122.428 117.475 4.953 19217 2314 1 7 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.350 -0.150 19217 2315 1 7 . 1 1 10 10 LYS CA C 10 57.424 57.424 56.694 0.730 19217 2316 1 7 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.165 1.744 19217 2317 1 7 . 1 1 10 10 LYS H H 10 8.322 8.322 8.287 0.035 19217 2318 1 7 . 1 1 11 11 HIS N N 11 119.909 119.909 117.535 2.374 19217 2319 1 7 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.436 0.175 19217 2320 1 7 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.605 -1.611 19217 2321 1 7 . 1 1 11 11 HIS CB C 11 29.609 29.609 28.911 0.698 19217 2322 1 7 . 1 1 11 11 HIS H H 11 8.402 8.402 8.167 0.235 19217 2323 1 7 . 1 1 12 12 ILE N N 12 121.819 121.819 120.288 1.531 19217 2324 1 7 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.558 0.301 19217 2325 1 7 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.664 -1.299 19217 2326 1 7 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.339 1.016 19217 2327 1 7 . 1 1 12 12 ILE H H 12 8.152 8.152 7.290 0.862 19217 2328 1 7 . 1 1 13 13 THR N N 13 116.420 116.420 113.912 2.508 19217 2329 1 7 . 1 1 13 13 THR HA H 13 3.933 3.933 3.977 -0.044 19217 2330 1 7 . 1 1 13 13 THR CA C 13 64.847 64.847 66.493 -1.647 19217 2331 1 7 . 1 1 13 13 THR CB C 13 68.899 68.899 68.572 0.327 19217 2332 1 7 . 1 1 13 13 THR H H 13 8.095 8.095 7.840 0.255 19217 2333 1 7 . 1 1 14 14 SER N N 14 116.367 116.367 117.575 -1.208 19217 2334 1 7 . 1 1 14 14 SER HA H 14 4.230 4.230 4.235 -0.005 19217 2335 1 7 . 1 1 14 14 SER CA C 14 60.111 60.111 61.204 -1.093 19217 2336 1 7 . 1 1 14 14 SER CB C 14 63.317 63.317 63.094 0.223 19217 2337 1 7 . 1 1 14 14 SER H H 14 8.111 8.111 7.924 0.187 19217 2338 1 7 . 1 1 15 15 ALA N N 15 124.756 124.756 124.599 0.157 19217 2339 1 7 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.239 -0.109 19217 2340 1 7 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.787 0.051 19217 2341 1 7 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.522 0.243 19217 2342 1 7 . 1 1 15 15 ALA H H 15 8.248 8.248 7.572 0.676 19217 2343 1 7 . 1 1 16 16 LEU N N 16 116.067 116.067 119.795 -3.728 19217 2344 1 7 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.274 -0.235 19217 2345 1 7 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.107 -0.232 19217 2346 1 7 . 1 1 16 16 LEU CB C 16 41.392 41.392 42.003 -0.611 19217 2347 1 7 . 1 1 16 16 LEU H H 16 8.188 8.188 7.718 0.470 19217 2348 1 7 . 1 1 17 17 LYS N N 17 119.021 119.021 118.747 0.274 19217 2349 1 7 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.899 -0.070 19217 2350 1 7 . 1 1 17 17 LYS CA C 17 58.926 58.926 60.009 -1.083 19217 2351 1 7 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.334 -0.371 19217 2352 1 7 . 1 1 17 17 LYS H H 17 7.870 7.870 8.083 -0.213 19217 2353 1 7 . 1 1 18 18 LYS N N 18 117.677 117.677 118.125 -0.448 19217 2354 1 7 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.125 -0.014 19217 2355 1 7 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.817 -0.113 19217 2356 1 7 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.095 0.125 19217 2357 1 7 . 1 1 18 18 LYS H H 18 7.598 7.598 7.607 -0.009 19217 2358 1 7 . 1 1 19 19 LEU N N 19 117.430 117.430 121.341 -3.911 19217 2359 1 7 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.958 0.117 19217 2360 1 7 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.593 -0.072 19217 2361 1 7 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.939 0.016 19217 2362 1 7 . 1 1 19 19 LEU H H 19 7.594 7.594 7.621 -0.027 19217 2363 1 7 . 1 1 20 20 VAL N N 20 118.252 118.252 117.004 1.248 19217 2364 1 7 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.281 0.082 19217 2365 1 7 . 1 1 20 20 VAL CA C 20 66.046 66.046 65.238 0.808 19217 2366 1 7 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.873 -0.717 19217 2367 1 7 . 1 1 20 20 VAL H H 20 7.662 7.662 7.886 -0.224 19217 2368 1 7 . 1 1 21 21 ASP N N 21 119.557 119.557 119.473 0.084 19217 2369 1 7 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.470 -0.000 19217 2370 1 7 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.149 0.497 19217 2371 1 7 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.146 -0.231 19217 2372 1 7 . 1 1 21 21 ASP H H 21 7.645 7.645 7.528 0.117 19217 2373 1 7 . 1 1 22 22 LYS N N 22 117.493 117.493 117.910 -0.417 19217 2374 1 7 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.430 0.125 19217 2375 1 7 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.184 1.087 19217 2376 1 7 . 1 1 22 22 LYS CB C 22 33.805 33.805 32.003 1.802 19217 2377 1 7 . 1 1 22 22 LYS H H 22 7.782 7.782 7.794 -0.012 19217 2378 1 7 . 1 1 23 23 TYR N N 23 121.877 121.877 120.984 0.893 19217 2379 1 7 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.116 -0.417 19217 2380 1 7 . 1 1 23 23 TYR CA C 23 63.376 63.376 61.999 1.377 19217 2381 1 7 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.981 1.351 19217 2382 1 7 . 1 1 23 23 TYR H H 23 7.738 7.738 7.238 0.500 19217 2383 1 7 . 1 1 24 24 ARG N N 24 111.739 111.739 117.288 -5.549 19217 2384 1 7 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.393 -0.251 19217 2385 1 7 . 1 1 24 24 ARG CA C 24 57.874 57.874 57.014 0.860 19217 2386 1 7 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.786 0.013 19217 2387 1 7 . 1 1 24 24 ARG H H 24 8.577 8.577 8.640 -0.063 19217 2388 1 7 . 1 1 25 25 ASN N N 25 113.359 113.359 117.145 -3.786 19217 2389 1 7 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.798 0.222 19217 2390 1 7 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.454 -1.139 19217 2391 1 7 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.637 0.237 19217 2392 1 7 . 1 1 25 25 ASN H H 25 7.711 7.711 7.658 0.053 19217 2393 1 7 . 1 1 26 26 ASP N N 26 120.181 120.181 120.396 -0.215 19217 2394 1 7 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.909 0.022 19217 2395 1 7 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.170 0.426 19217 2396 1 7 . 1 1 26 26 ASP CB C 26 43.635 43.635 42.810 0.825 19217 2397 1 7 . 1 1 26 26 ASP H H 26 7.424 7.424 7.936 -0.512 19217 2398 1 7 . 1 1 27 27 GLU N N 27 126.678 126.678 126.034 0.644 19217 2399 1 7 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.834 -0.032 19217 2400 1 7 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.826 -0.636 19217 2401 1 7 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.320 0.439 19217 2402 1 7 . 1 1 27 27 GLU H H 27 9.073 9.073 8.895 0.178 19217 2403 1 7 . 1 1 28 28 HIS N N 28 118.927 118.927 117.352 1.575 19217 2404 1 7 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.289 0.122 19217 2405 1 7 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.211 0.566 19217 2406 1 7 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.555 -1.738 19217 2407 1 7 . 1 1 28 28 HIS H H 28 8.585 8.585 8.547 0.038 19217 2408 1 7 . 1 1 29 29 VAL N N 29 120.860 120.860 118.481 2.379 19217 2409 1 7 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.739 -0.299 19217 2410 1 7 . 1 1 29 29 VAL CA C 29 66.677 66.677 66.084 0.593 19217 2411 1 7 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.639 -0.135 19217 2412 1 7 . 1 1 29 29 VAL H H 29 7.811 7.811 7.646 0.165 19217 2413 1 7 . 1 1 30 30 ARG N N 30 119.042 119.042 119.993 -0.951 19217 2414 1 7 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.347 0.529 19217 2415 1 7 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.498 0.776 19217 2416 1 7 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.440 0.615 19217 2417 1 7 . 1 1 30 30 ARG H H 30 7.919 7.919 7.708 0.211 19217 2418 1 7 . 1 1 31 31 LYS N N 31 116.630 116.630 118.977 -2.347 19217 2419 1 7 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.066 0.060 19217 2420 1 7 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.366 0.219 19217 2421 1 7 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.813 0.650 19217 2422 1 7 . 1 1 31 31 LYS H H 31 7.583 7.583 7.592 -0.009 19217 2423 1 7 . 1 1 32 32 VAL N N 32 118.507 118.507 120.506 -1.999 19217 2424 1 7 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.743 0.042 19217 2425 1 7 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.423 -0.324 19217 2426 1 7 . 1 1 32 32 VAL CB C 32 32.270 32.270 32.115 0.155 19217 2427 1 7 . 1 1 32 32 VAL H H 32 7.576 7.576 7.146 0.430 19217 2428 1 7 . 1 1 33 33 PHE N N 33 120.874 120.874 119.677 1.197 19217 2429 1 7 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.151 0.125 19217 2430 1 7 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.908 -0.393 19217 2431 1 7 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.117 0.236 19217 2432 1 7 . 1 1 33 33 PHE H H 33 9.246 9.246 8.816 0.430 19217 2433 1 7 . 1 1 34 34 ASP N N 34 119.331 119.331 120.193 -0.862 19217 2434 1 7 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.437 0.091 19217 2435 1 7 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.993 0.615 19217 2436 1 7 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.746 -0.825 19217 2437 1 7 . 1 1 34 34 ASP H H 34 9.507 9.507 8.625 0.882 19217 2438 1 7 . 1 1 35 35 GLU N N 35 118.378 118.378 119.620 -1.242 19217 2439 1 7 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.116 0.085 19217 2440 1 7 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.085 0.637 19217 2441 1 7 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.573 -0.014 19217 2442 1 7 . 1 1 35 35 GLU H H 35 7.334 7.334 7.645 -0.311 19217 2443 1 7 . 1 1 36 36 ILE N N 36 119.241 119.241 120.824 -1.583 19217 2444 1 7 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.562 -0.119 19217 2445 1 7 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.361 1.400 19217 2446 1 7 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.564 0.888 19217 2447 1 7 . 1 1 36 36 ILE H H 36 8.054 8.054 7.811 0.243 19217 2448 1 7 . 1 1 37 37 GLN N N 37 117.541 117.541 118.839 -1.298 19217 2449 1 7 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.938 0.467 19217 2450 1 7 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.194 0.822 19217 2451 1 7 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.730 -0.346 19217 2452 1 7 . 1 1 37 37 GLN H H 37 8.517 8.517 8.347 0.170 19217 2453 1 7 . 1 1 38 38 GLN N N 38 113.900 113.900 118.326 -4.426 19217 2454 1 7 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.138 0.106 19217 2455 1 7 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.353 0.169 19217 2456 1 7 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.730 1.466 19217 2457 1 7 . 1 1 38 38 GLN H H 38 8.023 8.023 7.752 0.271 19217 2458 1 7 . 1 1 39 39 LYS N N 39 117.850 117.850 119.737 -1.887 19217 2459 1 7 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.940 0.216 19217 2460 1 7 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.027 -0.144 19217 2461 1 7 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.048 0.871 19217 2462 1 7 . 1 1 39 39 LYS H H 39 8.480 8.480 8.291 0.189 19217 2463 1 7 . 1 1 40 40 LEU N N 40 114.726 114.726 115.637 -0.911 19217 2464 1 7 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.416 -0.233 19217 2465 1 7 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.491 -0.261 19217 2466 1 7 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.690 -0.901 19217 2467 1 7 . 1 1 40 40 LEU H H 40 8.427 8.427 7.864 0.563 19217 2468 1 7 . 1 1 41 41 HIS N N 41 115.299 115.299 114.768 0.531 19217 2469 1 7 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.288 -0.843 19217 2470 1 7 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.390 -2.667 19217 2471 1 7 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.834 -0.616 19217 2472 1 7 . 1 1 41 41 HIS H H 41 7.466 7.466 7.467 -0.001 19217 2473 1 7 . 1 1 42 42 CYS N N 42 116.999 116.999 110.984 6.015 19217 2474 1 7 . 1 1 42 42 CYS HA H 42 5.064 5.064 5.251 -0.187 19217 2475 1 7 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.441 -2.608 19217 2476 1 7 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.367 16.411 19217 2477 1 7 . 1 1 42 42 CYS H H 42 8.205 8.205 7.980 0.225 19217 2478 1 7 . 1 1 43 43 CYS N N 43 117.175 117.175 120.340 -3.165 19217 2479 1 7 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.273 -0.131 19217 2480 1 7 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.376 -3.935 19217 2481 1 7 . 1 1 43 43 CYS CB C 43 42.928 42.928 30.241 12.687 19217 2482 1 7 . 1 1 43 43 CYS H H 43 9.131 9.131 8.299 0.832 19217 2483 1 7 . 1 1 44 44 GLY N N 44 113.879 113.879 112.493 1.386 19217 2484 1 7 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.815 -2.265 19217 2485 1 7 . 1 1 44 44 GLY H H 44 8.913 8.913 8.775 0.138 19217 2486 1 7 . 1 1 45 45 ALA N N 45 122.305 122.305 123.365 -1.060 19217 2487 1 7 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.286 0.238 19217 2488 1 7 . 1 1 45 45 ALA CA C 45 53.824 53.824 54.972 -1.148 19217 2489 1 7 . 1 1 45 45 ALA CB C 45 18.722 18.722 20.202 -1.480 19217 2490 1 7 . 1 1 45 45 ALA H H 45 9.057 9.057 8.314 0.743 19217 2491 1 7 . 1 1 46 46 ASP N N 46 119.678 119.678 113.559 6.119 19217 2492 1 7 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.826 -0.213 19217 2493 1 7 . 1 1 46 46 ASP CA C 46 57.097 57.097 55.026 2.071 19217 2494 1 7 . 1 1 46 46 ASP CB C 46 42.478 42.478 42.868 -0.390 19217 2495 1 7 . 1 1 46 46 ASP H H 46 9.741 9.741 8.081 1.660 19217 2496 1 7 . 1 1 47 47 SER N N 47 112.389 112.389 113.296 -0.907 19217 2497 1 7 . 1 1 47 47 SER HA H 47 4.654 4.654 4.919 -0.265 19217 2498 1 7 . 1 1 47 47 SER CA C 47 57.626 57.626 56.273 1.353 19217 2499 1 7 . 1 1 47 47 SER CB C 47 64.037 64.037 63.883 0.154 19217 2500 1 7 . 1 1 47 47 SER H H 47 7.798 7.798 7.702 0.096 19217 2501 1 7 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.520 -0.375 19217 2502 1 7 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.638 0.492 19217 2503 1 7 . 1 1 48 48 PRO CB C 48 32.347 32.347 31.997 0.350 19217 2504 1 7 . 1 1 49 49 LYS N N 49 115.074 115.074 116.188 -1.114 19217 2505 1 7 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.115 0.102 19217 2506 1 7 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.166 -0.867 19217 2507 1 7 . 1 1 49 49 LYS CB C 49 30.913 30.913 30.770 0.143 19217 2508 1 7 . 1 1 49 49 LYS H H 49 8.151 8.151 8.138 0.013 19217 2509 1 7 . 1 1 50 50 ASP N N 50 122.818 122.818 119.108 3.710 19217 2510 1 7 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.315 -0.003 19217 2511 1 7 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.436 0.813 19217 2512 1 7 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.504 0.977 19217 2513 1 7 . 1 1 50 50 ASP H H 50 8.149 8.149 7.684 0.465 19217 2514 1 7 . 1 1 51 51 TYR N N 51 114.312 114.312 116.364 -2.052 19217 2515 1 7 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.365 0.011 19217 2516 1 7 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.184 -0.348 19217 2517 1 7 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.679 -0.775 19217 2518 1 7 . 1 1 51 51 TYR H H 51 7.260 7.260 7.401 -0.141 19217 2519 1 7 . 1 1 52 52 GLY N N 52 109.793 109.793 107.634 2.159 19217 2520 1 7 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.595 0.244 19217 2521 1 7 . 1 1 52 52 GLY H H 52 7.967 7.967 7.648 0.319 19217 2522 1 7 . 1 1 53 53 GLU N N 53 123.571 123.571 122.615 0.956 19217 2523 1 7 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.554 -0.352 19217 2524 1 7 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.224 0.881 19217 2525 1 7 . 1 1 53 53 GLU CB C 53 30.020 30.020 30.050 -0.030 19217 2526 1 7 . 1 1 53 53 GLU H H 53 8.788 8.788 8.548 0.240 19217 2527 1 7 . 1 1 54 54 ASN N N 54 115.160 115.160 119.009 -3.849 19217 2528 1 7 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.939 0.283 19217 2529 1 7 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.284 -1.320 19217 2530 1 7 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.498 0.902 19217 2531 1 7 . 1 1 54 54 ASN H H 54 7.853 7.853 8.405 -0.552 19217 2532 1 7 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.226 -0.181 19217 2533 1 7 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.499 -0.211 19217 2534 1 7 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.304 -0.633 19217 2535 1 7 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.311 0.222 19217 2536 1 7 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.069 -0.374 19217 2537 1 7 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.383 1.073 19217 2538 1 7 . 1 1 57 57 THR N N 57 116.449 116.449 114.331 2.118 19217 2539 1 7 . 1 1 57 57 THR HA H 57 3.832 3.832 3.912 -0.080 19217 2540 1 7 . 1 1 57 57 THR CA C 57 65.318 65.318 64.946 0.372 19217 2541 1 7 . 1 1 57 57 THR CB C 57 68.433 68.433 68.565 -0.132 19217 2542 1 7 . 1 1 57 57 THR H H 57 8.894 8.894 8.714 0.180 19217 2543 1 7 . 1 1 58 58 SER N N 58 113.767 113.767 116.063 -2.296 19217 2544 1 7 . 1 1 58 58 SER HA H 58 4.409 4.409 4.430 -0.021 19217 2545 1 7 . 1 1 58 58 SER CA C 58 59.123 59.123 60.921 -1.798 19217 2546 1 7 . 1 1 58 58 SER CB C 58 62.669 62.669 62.355 0.314 19217 2547 1 7 . 1 1 58 58 SER H H 58 7.839 7.839 8.352 -0.513 19217 2548 1 7 . 1 1 59 59 CYS N N 59 117.062 117.062 121.469 -4.407 19217 2549 1 7 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.406 0.376 19217 2550 1 7 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.787 1.125 19217 2551 1 7 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.266 19.551 19217 2552 1 7 . 1 1 59 59 CYS H H 59 7.397 7.397 7.868 -0.471 19217 2553 1 7 . 1 1 60 60 SER N N 60 112.368 112.368 112.442 -0.074 19217 2554 1 7 . 1 1 60 60 SER HA H 60 4.258 4.258 4.554 -0.296 19217 2555 1 7 . 1 1 60 60 SER CA C 60 56.925 56.925 56.495 0.430 19217 2556 1 7 . 1 1 60 60 SER CB C 60 67.049 67.049 66.306 0.743 19217 2557 1 7 . 1 1 60 60 SER H H 60 7.486 7.486 7.262 0.224 19217 2558 1 7 . 1 1 61 61 LYS N N 61 120.402 120.402 121.791 -1.389 19217 2559 1 7 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.613 -0.222 19217 2560 1 7 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.776 -0.459 19217 2561 1 7 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.827 1.117 19217 2562 1 7 . 1 1 61 61 LYS H H 61 7.918 7.918 8.344 -0.426 19217 2563 1 7 . 1 1 62 62 ASP N N 62 128.253 128.253 125.407 2.846 19217 2564 1 7 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.363 -0.083 19217 2565 1 7 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.129 0.570 19217 2566 1 7 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.282 -0.760 19217 2567 1 7 . 1 1 62 62 ASP H H 62 9.517 9.517 8.946 0.571 19217 2568 1 7 . 1 1 63 63 GLY N N 63 103.421 103.421 104.302 -0.881 19217 2569 1 7 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.345 -0.143 19217 2570 1 7 . 1 1 63 63 GLY H H 63 8.597 8.597 8.455 0.142 19217 2571 1 7 . 1 1 64 64 VAL N N 64 122.304 122.304 119.004 3.300 19217 2572 1 7 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.270 -0.211 19217 2573 1 7 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.506 1.136 19217 2574 1 7 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.500 -2.217 19217 2575 1 7 . 1 1 64 64 VAL H H 64 7.630 7.630 7.088 0.542 19217 2576 1 7 . 1 1 65 65 GLN N N 65 126.376 126.376 124.085 2.291 19217 2577 1 7 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.256 -0.133 19217 2578 1 7 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.329 0.655 19217 2579 1 7 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.913 -0.776 19217 2580 1 7 . 1 1 65 65 GLN H H 65 8.366 8.366 8.381 -0.015 19217 2581 1 7 . 1 1 66 66 PHE N N 66 126.770 126.770 125.955 0.815 19217 2582 1 7 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.574 0.351 19217 2583 1 7 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.013 -1.571 19217 2584 1 7 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.130 -0.538 19217 2585 1 7 . 1 1 66 66 PHE H H 66 8.606 8.606 8.170 0.436 19217 2586 1 7 . 1 1 67 67 THR N N 67 110.796 110.796 114.242 -3.446 19217 2587 1 7 . 1 1 67 67 THR HA H 67 4.378 4.378 4.401 -0.023 19217 2588 1 7 . 1 1 67 67 THR CA C 67 62.290 62.290 61.652 0.638 19217 2589 1 7 . 1 1 67 67 THR CB C 67 69.730 69.730 69.186 0.544 19217 2590 1 7 . 1 1 67 67 THR H H 67 8.105 8.105 8.463 -0.358 19217 2591 1 7 . 1 1 68 68 GLU N N 68 122.415 122.415 121.398 1.017 19217 2592 1 7 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.683 -0.047 19217 2593 1 7 . 1 1 68 68 GLU CA C 68 55.269 55.269 55.007 0.262 19217 2594 1 7 . 1 1 68 68 GLU CB C 68 32.089 32.089 33.020 -0.931 19217 2595 1 7 . 1 1 68 68 GLU H H 68 8.171 8.171 7.908 0.263 19217 2596 1 7 . 1 1 69 69 GLY N N 69 109.155 109.155 107.598 1.557 19217 2597 1 7 . 1 1 69 69 GLY CA C 69 44.361 44.361 45.038 -0.677 19217 2598 1 7 . 1 1 69 69 GLY H H 69 8.870 8.870 8.488 0.382 19217 2599 1 7 . 1 1 70 70 CYS N N 70 116.376 116.376 118.170 -1.794 19217 2600 1 7 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.739 -0.294 19217 2601 1 7 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.727 -3.278 19217 2602 1 7 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.738 13.053 19217 2603 1 7 . 1 1 70 70 CYS H H 70 8.335 8.335 8.460 -0.125 19217 2604 1 7 . 1 1 71 71 ILE N N 71 121.812 121.812 121.095 0.717 19217 2605 1 7 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.575 -0.056 19217 2606 1 7 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.072 0.735 19217 2607 1 7 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.633 -0.807 19217 2608 1 7 . 1 1 71 71 ILE H H 71 9.129 9.129 8.690 0.439 19217 2609 1 7 . 1 1 72 72 LYS N N 72 121.424 121.424 118.775 2.649 19217 2610 1 7 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.145 -0.130 19217 2611 1 7 . 1 1 72 72 LYS CA C 72 59.203 59.203 58.736 0.467 19217 2612 1 7 . 1 1 72 72 LYS CB C 72 32.083 32.083 31.796 0.287 19217 2613 1 7 . 1 1 72 72 LYS H H 72 8.179 8.179 8.427 -0.248 19217 2614 1 7 . 1 1 73 73 LYS N N 73 115.131 115.131 119.996 -4.865 19217 2615 1 7 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.162 0.021 19217 2616 1 7 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.302 -1.560 19217 2617 1 7 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.175 0.007 19217 2618 1 7 . 1 1 73 73 LYS H H 73 7.287 7.287 7.643 -0.356 19217 2619 1 7 . 1 1 74 74 VAL N N 74 117.637 117.637 116.870 0.767 19217 2620 1 7 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.703 -0.071 19217 2621 1 7 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.476 -0.537 19217 2622 1 7 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.935 0.497 19217 2623 1 7 . 1 1 74 74 VAL H H 74 8.398 8.398 8.503 -0.105 19217 2624 1 7 . 1 1 75 75 SER N N 75 117.090 117.090 115.726 1.364 19217 2625 1 7 . 1 1 75 75 SER HA H 75 4.144 4.144 4.190 -0.046 19217 2626 1 7 . 1 1 75 75 SER CA C 75 61.816 61.816 61.386 0.430 19217 2627 1 7 . 1 1 75 75 SER CB C 75 62.840 62.840 62.431 0.409 19217 2628 1 7 . 1 1 75 75 SER H H 75 8.249 8.249 7.689 0.560 19217 2629 1 7 . 1 1 76 76 ASP N N 76 121.102 121.102 123.189 -2.087 19217 2630 1 7 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.432 0.044 19217 2631 1 7 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.364 -0.947 19217 2632 1 7 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.934 -0.498 19217 2633 1 7 . 1 1 76 76 ASP H H 76 8.240 8.240 7.622 0.618 19217 2634 1 7 . 1 1 77 77 LEU N N 77 119.967 119.967 117.807 2.160 19217 2635 1 7 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.225 -0.014 19217 2636 1 7 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.786 -1.126 19217 2637 1 7 . 1 1 77 77 LEU CB C 77 42.216 42.216 42.119 0.097 19217 2638 1 7 . 1 1 77 77 LEU H H 77 7.728 7.728 7.777 -0.049 19217 2639 1 7 . 1 1 78 78 SER N N 78 113.729 113.729 115.675 -1.946 19217 2640 1 7 . 1 1 78 78 SER HA H 78 4.379 4.379 4.394 -0.015 19217 2641 1 7 . 1 1 78 78 SER CA C 78 59.286 59.286 60.620 -1.334 19217 2642 1 7 . 1 1 78 78 SER CB C 78 63.761 63.761 63.609 0.152 19217 2643 1 7 . 1 1 78 78 SER H H 78 7.873 7.873 7.722 0.151 19217 2644 1 7 . 1 1 79 79 LYS N N 79 121.616 121.616 120.615 1.001 19217 2645 1 7 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.439 -0.151 19217 2646 1 7 . 1 1 79 79 LYS CA C 79 56.416 56.416 55.323 1.093 19217 2647 1 7 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.676 0.166 19217 2648 1 7 . 1 1 79 79 LYS H H 79 7.741 7.741 7.873 -0.132 19217 2649 1 7 . 1 1 80 80 ALA N N 80 124.562 124.562 122.591 1.971 19217 2650 1 7 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.387 -0.113 19217 2651 1 7 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.256 0.357 19217 2652 1 7 . 1 1 80 80 ALA CB C 80 19.270 19.270 20.096 -0.826 19217 2653 1 7 . 1 1 80 80 ALA H H 80 8.044 8.044 7.219 0.825 19217 2654 1 8 . 1 1 2 2 SER N N 2 115.654 115.654 114.989 0.665 19217 2655 1 8 . 1 1 2 2 SER HA H 2 4.496 4.496 4.473 0.023 19217 2656 1 8 . 1 1 2 2 SER CA C 2 58.438 58.438 57.648 0.790 19217 2657 1 8 . 1 1 2 2 SER CB C 2 63.859 63.859 65.144 -1.285 19217 2658 1 8 . 1 1 2 2 SER H H 2 8.716 8.716 8.259 0.457 19217 2659 1 8 . 1 1 3 3 ASN N N 3 120.885 120.885 117.441 3.444 19217 2660 1 8 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.743 -0.015 19217 2661 1 8 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.635 -0.316 19217 2662 1 8 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.020 -0.373 19217 2663 1 8 . 1 1 3 3 ASN H H 3 8.703 8.703 8.495 0.208 19217 2664 1 8 . 1 1 4 4 GLU N N 4 120.920 120.920 122.023 -1.103 19217 2665 1 8 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.439 -0.167 19217 2666 1 8 . 1 1 4 4 GLU CA C 4 56.434 56.434 55.933 0.501 19217 2667 1 8 . 1 1 4 4 GLU CB C 4 30.469 30.469 30.160 0.309 19217 2668 1 8 . 1 1 4 4 GLU H H 4 8.261 8.261 8.162 0.099 19217 2669 1 8 . 1 1 5 5 LYS N N 5 124.113 124.113 128.081 -3.968 19217 2670 1 8 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.673 -0.125 19217 2671 1 8 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.198 0.432 19217 2672 1 8 . 1 1 5 5 LYS CB C 5 32.094 32.094 31.745 0.349 19217 2673 1 8 . 1 1 5 5 LYS H H 5 8.452 8.452 8.393 0.059 19217 2674 1 8 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.498 -0.116 19217 2675 1 8 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.377 0.989 19217 2676 1 8 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.648 -0.515 19217 2677 1 8 . 1 1 7 7 LYS N N 7 121.721 121.721 120.943 0.778 19217 2678 1 8 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.207 0.075 19217 2679 1 8 . 1 1 7 7 LYS CA C 7 56.580 56.580 56.087 0.493 19217 2680 1 8 . 1 1 7 7 LYS CB C 7 32.989 32.989 31.745 1.244 19217 2681 1 8 . 1 1 7 7 LYS H H 7 8.449 8.449 8.311 0.138 19217 2682 1 8 . 1 1 8 8 VAL N N 8 121.294 121.294 124.614 -3.320 19217 2683 1 8 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.286 -0.256 19217 2684 1 8 . 1 1 8 8 VAL CA C 8 62.751 62.751 60.355 2.396 19217 2685 1 8 . 1 1 8 8 VAL CB C 8 32.778 32.778 33.519 -0.741 19217 2686 1 8 . 1 1 8 8 VAL H H 8 8.062 8.062 8.330 -0.268 19217 2687 1 8 . 1 1 9 9 LYS N N 9 125.108 125.108 125.110 -0.002 19217 2688 1 8 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.273 -0.072 19217 2689 1 8 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.906 -1.631 19217 2690 1 8 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.497 0.385 19217 2691 1 8 . 1 1 9 9 LYS H H 9 8.429 8.429 8.780 -0.351 19217 2692 1 8 . 1 1 10 10 LYS N N 10 122.428 122.428 118.214 4.214 19217 2693 1 8 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.385 -0.185 19217 2694 1 8 . 1 1 10 10 LYS CA C 10 57.424 57.424 56.158 1.266 19217 2695 1 8 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.077 1.831 19217 2696 1 8 . 1 1 10 10 LYS H H 10 8.322 8.322 8.535 -0.213 19217 2697 1 8 . 1 1 11 11 HIS N N 11 119.909 119.909 117.676 2.233 19217 2698 1 8 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.369 0.242 19217 2699 1 8 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.839 -1.845 19217 2700 1 8 . 1 1 11 11 HIS CB C 11 29.609 29.609 28.939 0.670 19217 2701 1 8 . 1 1 11 11 HIS H H 11 8.402 8.402 7.805 0.597 19217 2702 1 8 . 1 1 12 12 ILE N N 12 121.819 121.819 120.520 1.299 19217 2703 1 8 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.350 0.509 19217 2704 1 8 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.706 -1.341 19217 2705 1 8 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.288 1.067 19217 2706 1 8 . 1 1 12 12 ILE H H 12 8.152 8.152 7.266 0.886 19217 2707 1 8 . 1 1 13 13 THR N N 13 116.420 116.420 113.691 2.729 19217 2708 1 8 . 1 1 13 13 THR HA H 13 3.933 3.933 3.936 -0.003 19217 2709 1 8 . 1 1 13 13 THR CA C 13 64.847 64.847 65.964 -1.117 19217 2710 1 8 . 1 1 13 13 THR CB C 13 68.899 68.899 67.997 0.902 19217 2711 1 8 . 1 1 13 13 THR H H 13 8.095 8.095 7.762 0.333 19217 2712 1 8 . 1 1 14 14 SER N N 14 116.367 116.367 116.720 -0.353 19217 2713 1 8 . 1 1 14 14 SER HA H 14 4.230 4.230 4.255 -0.025 19217 2714 1 8 . 1 1 14 14 SER CA C 14 60.111 60.111 61.387 -1.276 19217 2715 1 8 . 1 1 14 14 SER CB C 14 63.317 63.317 62.715 0.602 19217 2716 1 8 . 1 1 14 14 SER H H 14 8.111 8.111 7.752 0.359 19217 2717 1 8 . 1 1 15 15 ALA N N 15 124.756 124.756 124.297 0.459 19217 2718 1 8 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.186 -0.056 19217 2719 1 8 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.839 -0.000 19217 2720 1 8 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.463 0.302 19217 2721 1 8 . 1 1 15 15 ALA H H 15 8.248 8.248 7.604 0.644 19217 2722 1 8 . 1 1 16 16 LEU N N 16 116.067 116.067 119.846 -3.779 19217 2723 1 8 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.244 -0.205 19217 2724 1 8 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.184 -0.308 19217 2725 1 8 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.860 -0.468 19217 2726 1 8 . 1 1 16 16 LEU H H 16 8.188 8.188 8.393 -0.205 19217 2727 1 8 . 1 1 17 17 LYS N N 17 119.021 119.021 118.744 0.277 19217 2728 1 8 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.965 -0.136 19217 2729 1 8 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.404 -0.478 19217 2730 1 8 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.160 -0.197 19217 2731 1 8 . 1 1 17 17 LYS H H 17 7.870 7.870 8.075 -0.205 19217 2732 1 8 . 1 1 18 18 LYS N N 18 117.677 117.677 118.415 -0.738 19217 2733 1 8 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.132 -0.021 19217 2734 1 8 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.871 -0.167 19217 2735 1 8 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.081 0.139 19217 2736 1 8 . 1 1 18 18 LYS H H 18 7.598 7.598 7.582 0.016 19217 2737 1 8 . 1 1 19 19 LEU N N 19 117.430 117.430 121.653 -4.223 19217 2738 1 8 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.860 0.215 19217 2739 1 8 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.716 -0.195 19217 2740 1 8 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.910 0.045 19217 2741 1 8 . 1 1 19 19 LEU H H 19 7.594 7.594 7.793 -0.199 19217 2742 1 8 . 1 1 20 20 VAL N N 20 118.252 118.252 115.207 3.045 19217 2743 1 8 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.256 0.107 19217 2744 1 8 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.861 1.185 19217 2745 1 8 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.567 -0.410 19217 2746 1 8 . 1 1 20 20 VAL H H 20 7.662 7.662 7.571 0.091 19217 2747 1 8 . 1 1 21 21 ASP N N 21 119.557 119.557 120.332 -0.775 19217 2748 1 8 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.424 0.046 19217 2749 1 8 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.866 -0.220 19217 2750 1 8 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.848 0.067 19217 2751 1 8 . 1 1 21 21 ASP H H 21 7.645 7.645 7.499 0.146 19217 2752 1 8 . 1 1 22 22 LYS N N 22 117.493 117.493 118.938 -1.445 19217 2753 1 8 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.455 0.100 19217 2754 1 8 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.393 0.878 19217 2755 1 8 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.918 1.887 19217 2756 1 8 . 1 1 22 22 LYS H H 22 7.782 7.782 8.176 -0.394 19217 2757 1 8 . 1 1 23 23 TYR N N 23 121.877 121.877 121.386 0.491 19217 2758 1 8 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.117 -0.418 19217 2759 1 8 . 1 1 23 23 TYR CA C 23 63.376 63.376 61.719 1.657 19217 2760 1 8 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.979 1.353 19217 2761 1 8 . 1 1 23 23 TYR H H 23 7.738 7.738 7.292 0.446 19217 2762 1 8 . 1 1 24 24 ARG N N 24 111.739 111.739 117.200 -5.461 19217 2763 1 8 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.415 -0.273 19217 2764 1 8 . 1 1 24 24 ARG CA C 24 57.874 57.874 55.892 1.982 19217 2765 1 8 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.605 0.195 19217 2766 1 8 . 1 1 24 24 ARG H H 24 8.577 8.577 8.534 0.043 19217 2767 1 8 . 1 1 25 25 ASN N N 25 113.359 113.359 116.952 -3.593 19217 2768 1 8 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.751 0.269 19217 2769 1 8 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.383 -1.068 19217 2770 1 8 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.183 0.691 19217 2771 1 8 . 1 1 25 25 ASN H H 25 7.711 7.711 7.759 -0.048 19217 2772 1 8 . 1 1 26 26 ASP N N 26 120.181 120.181 120.024 0.157 19217 2773 1 8 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.903 0.028 19217 2774 1 8 . 1 1 26 26 ASP CA C 26 53.596 53.596 52.890 0.706 19217 2775 1 8 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.282 0.353 19217 2776 1 8 . 1 1 26 26 ASP H H 26 7.424 7.424 7.694 -0.270 19217 2777 1 8 . 1 1 27 27 GLU N N 27 126.678 126.678 125.922 0.756 19217 2778 1 8 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.930 -0.128 19217 2779 1 8 . 1 1 27 27 GLU CA C 27 59.190 59.190 58.930 0.260 19217 2780 1 8 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.385 0.374 19217 2781 1 8 . 1 1 27 27 GLU H H 27 9.073 9.073 8.951 0.122 19217 2782 1 8 . 1 1 28 28 HIS N N 28 118.927 118.927 118.471 0.456 19217 2783 1 8 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.315 0.096 19217 2784 1 8 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.226 0.551 19217 2785 1 8 . 1 1 28 28 HIS CB C 28 27.817 27.817 30.164 -2.347 19217 2786 1 8 . 1 1 28 28 HIS H H 28 8.585 8.585 7.954 0.631 19217 2787 1 8 . 1 1 29 29 VAL N N 29 120.860 120.860 118.800 2.060 19217 2788 1 8 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.789 -0.349 19217 2789 1 8 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.063 1.614 19217 2790 1 8 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.037 0.467 19217 2791 1 8 . 1 1 29 29 VAL H H 29 7.811 7.811 7.553 0.258 19217 2792 1 8 . 1 1 30 30 ARG N N 30 119.042 119.042 120.099 -1.057 19217 2793 1 8 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.575 0.301 19217 2794 1 8 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.793 0.481 19217 2795 1 8 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.334 0.722 19217 2796 1 8 . 1 1 30 30 ARG H H 30 7.919 7.919 7.345 0.574 19217 2797 1 8 . 1 1 31 31 LYS N N 31 116.630 116.630 118.831 -2.201 19217 2798 1 8 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.056 0.070 19217 2799 1 8 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.378 0.207 19217 2800 1 8 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.781 0.682 19217 2801 1 8 . 1 1 31 31 LYS H H 31 7.583 7.583 7.552 0.031 19217 2802 1 8 . 1 1 32 32 VAL N N 32 118.507 118.507 120.231 -1.724 19217 2803 1 8 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.847 -0.062 19217 2804 1 8 . 1 1 32 32 VAL CA C 32 66.099 66.099 65.456 0.644 19217 2805 1 8 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.540 0.730 19217 2806 1 8 . 1 1 32 32 VAL H H 32 7.576 7.576 7.352 0.224 19217 2807 1 8 . 1 1 33 33 PHE N N 33 120.874 120.874 120.368 0.506 19217 2808 1 8 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.267 0.009 19217 2809 1 8 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.441 0.074 19217 2810 1 8 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.210 0.143 19217 2811 1 8 . 1 1 33 33 PHE H H 33 9.246 9.246 8.882 0.364 19217 2812 1 8 . 1 1 34 34 ASP N N 34 119.331 119.331 120.679 -1.348 19217 2813 1 8 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.403 0.125 19217 2814 1 8 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.959 0.649 19217 2815 1 8 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.842 -0.921 19217 2816 1 8 . 1 1 34 34 ASP H H 34 9.507 9.507 8.712 0.795 19217 2817 1 8 . 1 1 35 35 GLU N N 35 118.378 118.378 119.472 -1.094 19217 2818 1 8 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.105 0.096 19217 2819 1 8 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.163 0.559 19217 2820 1 8 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.651 -0.092 19217 2821 1 8 . 1 1 35 35 GLU H H 35 7.334 7.334 7.545 -0.211 19217 2822 1 8 . 1 1 36 36 ILE N N 36 119.241 119.241 120.863 -1.622 19217 2823 1 8 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.553 -0.110 19217 2824 1 8 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.394 1.367 19217 2825 1 8 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.588 0.864 19217 2826 1 8 . 1 1 36 36 ILE H H 36 8.054 8.054 7.664 0.390 19217 2827 1 8 . 1 1 37 37 GLN N N 37 117.541 117.541 118.716 -1.175 19217 2828 1 8 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.894 0.511 19217 2829 1 8 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.158 0.858 19217 2830 1 8 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.678 -0.295 19217 2831 1 8 . 1 1 37 37 GLN H H 37 8.517 8.517 8.331 0.186 19217 2832 1 8 . 1 1 38 38 GLN N N 38 113.900 113.900 118.381 -4.481 19217 2833 1 8 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.125 0.119 19217 2834 1 8 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.352 0.170 19217 2835 1 8 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.719 1.476 19217 2836 1 8 . 1 1 38 38 GLN H H 38 8.023 8.023 7.635 0.388 19217 2837 1 8 . 1 1 39 39 LYS N N 39 117.850 117.850 119.794 -1.944 19217 2838 1 8 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.905 0.251 19217 2839 1 8 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.054 -0.171 19217 2840 1 8 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.048 0.871 19217 2841 1 8 . 1 1 39 39 LYS H H 39 8.480 8.480 8.300 0.180 19217 2842 1 8 . 1 1 40 40 LEU N N 40 114.726 114.726 115.897 -1.171 19217 2843 1 8 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.354 -0.171 19217 2844 1 8 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.407 -0.177 19217 2845 1 8 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.606 -0.817 19217 2846 1 8 . 1 1 40 40 LEU H H 40 8.427 8.427 7.872 0.555 19217 2847 1 8 . 1 1 41 41 HIS N N 41 115.299 115.299 113.694 1.605 19217 2848 1 8 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.224 -0.779 19217 2849 1 8 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.337 -2.614 19217 2850 1 8 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.740 -0.522 19217 2851 1 8 . 1 1 41 41 HIS H H 41 7.466 7.466 7.291 0.175 19217 2852 1 8 . 1 1 42 42 CYS N N 42 116.999 116.999 110.952 6.047 19217 2853 1 8 . 1 1 42 42 CYS HA H 42 5.064 5.064 5.269 -0.205 19217 2854 1 8 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.450 -2.617 19217 2855 1 8 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.341 16.437 19217 2856 1 8 . 1 1 42 42 CYS H H 42 8.205 8.205 7.979 0.226 19217 2857 1 8 . 1 1 43 43 CYS N N 43 117.175 117.175 120.133 -2.958 19217 2858 1 8 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.252 -0.110 19217 2859 1 8 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.366 -3.925 19217 2860 1 8 . 1 1 43 43 CYS CB C 43 42.928 42.928 30.364 12.563 19217 2861 1 8 . 1 1 43 43 CYS H H 43 9.131 9.131 8.253 0.878 19217 2862 1 8 . 1 1 44 44 GLY N N 44 113.879 113.879 112.183 1.696 19217 2863 1 8 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.861 -2.312 19217 2864 1 8 . 1 1 44 44 GLY H H 44 8.913 8.913 8.793 0.120 19217 2865 1 8 . 1 1 45 45 ALA N N 45 122.305 122.305 122.479 -0.174 19217 2866 1 8 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.317 0.207 19217 2867 1 8 . 1 1 45 45 ALA CA C 45 53.824 53.824 54.770 -0.946 19217 2868 1 8 . 1 1 45 45 ALA CB C 45 18.722 18.722 20.242 -1.520 19217 2869 1 8 . 1 1 45 45 ALA H H 45 9.057 9.057 8.177 0.880 19217 2870 1 8 . 1 1 46 46 ASP N N 46 119.678 119.678 114.177 5.501 19217 2871 1 8 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.860 -0.247 19217 2872 1 8 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.153 2.944 19217 2873 1 8 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.420 -0.942 19217 2874 1 8 . 1 1 46 46 ASP H H 46 9.741 9.741 8.193 1.548 19217 2875 1 8 . 1 1 47 47 SER N N 47 112.389 112.389 110.483 1.906 19217 2876 1 8 . 1 1 47 47 SER HA H 47 4.654 4.654 4.813 -0.159 19217 2877 1 8 . 1 1 47 47 SER CA C 47 57.626 57.626 56.532 1.095 19217 2878 1 8 . 1 1 47 47 SER CB C 47 64.037 64.037 63.760 0.278 19217 2879 1 8 . 1 1 47 47 SER H H 47 7.798 7.798 7.339 0.459 19217 2880 1 8 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.431 -0.286 19217 2881 1 8 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.243 0.887 19217 2882 1 8 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.148 0.199 19217 2883 1 8 . 1 1 49 49 LYS N N 49 115.074 115.074 117.596 -2.522 19217 2884 1 8 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.112 0.105 19217 2885 1 8 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.196 -0.897 19217 2886 1 8 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.277 -0.364 19217 2887 1 8 . 1 1 49 49 LYS H H 49 8.151 8.151 8.149 0.002 19217 2888 1 8 . 1 1 50 50 ASP N N 50 122.818 122.818 118.937 3.881 19217 2889 1 8 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.305 0.007 19217 2890 1 8 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.334 0.915 19217 2891 1 8 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.265 1.216 19217 2892 1 8 . 1 1 50 50 ASP H H 50 8.149 8.149 7.681 0.468 19217 2893 1 8 . 1 1 51 51 TYR N N 51 114.312 114.312 116.429 -2.117 19217 2894 1 8 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.365 0.011 19217 2895 1 8 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.323 -0.487 19217 2896 1 8 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.522 -0.618 19217 2897 1 8 . 1 1 51 51 TYR H H 51 7.260 7.260 7.440 -0.180 19217 2898 1 8 . 1 1 52 52 GLY N N 52 109.793 109.793 107.222 2.571 19217 2899 1 8 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.526 0.313 19217 2900 1 8 . 1 1 52 52 GLY H H 52 7.967 7.967 7.544 0.423 19217 2901 1 8 . 1 1 53 53 GLU N N 53 123.571 123.571 122.891 0.680 19217 2902 1 8 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.555 -0.353 19217 2903 1 8 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.207 0.898 19217 2904 1 8 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.810 0.210 19217 2905 1 8 . 1 1 53 53 GLU H H 53 8.788 8.788 8.601 0.187 19217 2906 1 8 . 1 1 54 54 ASN N N 54 115.160 115.160 119.140 -3.980 19217 2907 1 8 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.951 0.271 19217 2908 1 8 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.242 -1.278 19217 2909 1 8 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.348 1.052 19217 2910 1 8 . 1 1 54 54 ASN H H 54 7.853 7.853 8.391 -0.538 19217 2911 1 8 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.307 -0.262 19217 2912 1 8 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.552 -0.264 19217 2913 1 8 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.330 -0.659 19217 2914 1 8 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.305 0.228 19217 2915 1 8 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.017 -0.323 19217 2916 1 8 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.320 1.137 19217 2917 1 8 . 1 1 57 57 THR N N 57 116.449 116.449 115.468 0.981 19217 2918 1 8 . 1 1 57 57 THR HA H 57 3.832 3.832 3.932 -0.100 19217 2919 1 8 . 1 1 57 57 THR CA C 57 65.318 65.318 65.286 0.032 19217 2920 1 8 . 1 1 57 57 THR CB C 57 68.433 68.433 68.487 -0.054 19217 2921 1 8 . 1 1 57 57 THR H H 57 8.894 8.894 8.762 0.132 19217 2922 1 8 . 1 1 58 58 SER N N 58 113.767 113.767 117.029 -3.262 19217 2923 1 8 . 1 1 58 58 SER HA H 58 4.409 4.409 4.459 -0.050 19217 2924 1 8 . 1 1 58 58 SER CA C 58 59.123 59.123 60.466 -1.343 19217 2925 1 8 . 1 1 58 58 SER CB C 58 62.669 62.669 61.778 0.891 19217 2926 1 8 . 1 1 58 58 SER H H 58 7.839 7.839 8.405 -0.566 19217 2927 1 8 . 1 1 59 59 CYS N N 59 117.062 117.062 121.351 -4.289 19217 2928 1 8 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.383 0.399 19217 2929 1 8 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.712 1.200 19217 2930 1 8 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.430 19.387 19217 2931 1 8 . 1 1 59 59 CYS H H 59 7.397 7.397 7.778 -0.381 19217 2932 1 8 . 1 1 60 60 SER N N 60 112.368 112.368 112.336 0.032 19217 2933 1 8 . 1 1 60 60 SER HA H 60 4.258 4.258 4.684 -0.426 19217 2934 1 8 . 1 1 60 60 SER CA C 60 56.925 56.925 56.459 0.466 19217 2935 1 8 . 1 1 60 60 SER CB C 60 67.049 67.049 66.097 0.952 19217 2936 1 8 . 1 1 60 60 SER H H 60 7.486 7.486 7.275 0.211 19217 2937 1 8 . 1 1 61 61 LYS N N 61 120.402 120.402 122.414 -2.012 19217 2938 1 8 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.517 -0.126 19217 2939 1 8 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.962 -0.645 19217 2940 1 8 . 1 1 61 61 LYS CB C 61 35.944 35.944 35.283 0.661 19217 2941 1 8 . 1 1 61 61 LYS H H 61 7.918 7.918 8.349 -0.431 19217 2942 1 8 . 1 1 62 62 ASP N N 62 128.253 128.253 124.995 3.258 19217 2943 1 8 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.427 -0.147 19217 2944 1 8 . 1 1 62 62 ASP CA C 62 55.699 55.699 54.959 0.740 19217 2945 1 8 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.529 -1.007 19217 2946 1 8 . 1 1 62 62 ASP H H 62 9.517 9.517 8.859 0.658 19217 2947 1 8 . 1 1 63 63 GLY N N 63 103.421 103.421 104.788 -1.367 19217 2948 1 8 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.046 0.156 19217 2949 1 8 . 1 1 63 63 GLY H H 63 8.597 8.597 8.248 0.349 19217 2950 1 8 . 1 1 64 64 VAL N N 64 122.304 122.304 119.717 2.587 19217 2951 1 8 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.310 -0.251 19217 2952 1 8 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.126 1.516 19217 2953 1 8 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.300 -2.017 19217 2954 1 8 . 1 1 64 64 VAL H H 64 7.630 7.630 7.214 0.416 19217 2955 1 8 . 1 1 65 65 GLN N N 65 126.376 126.376 124.120 2.256 19217 2956 1 8 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.235 -0.112 19217 2957 1 8 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.164 0.820 19217 2958 1 8 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.830 -0.693 19217 2959 1 8 . 1 1 65 65 GLN H H 65 8.366 8.366 8.399 -0.033 19217 2960 1 8 . 1 1 66 66 PHE N N 66 126.770 126.770 126.559 0.211 19217 2961 1 8 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.573 0.352 19217 2962 1 8 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.389 -0.947 19217 2963 1 8 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.039 -0.447 19217 2964 1 8 . 1 1 66 66 PHE H H 66 8.606 8.606 8.188 0.418 19217 2965 1 8 . 1 1 67 67 THR N N 67 110.796 110.796 113.814 -3.018 19217 2966 1 8 . 1 1 67 67 THR HA H 67 4.378 4.378 4.386 -0.008 19217 2967 1 8 . 1 1 67 67 THR CA C 67 62.290 62.290 61.585 0.705 19217 2968 1 8 . 1 1 67 67 THR CB C 67 69.730 69.730 68.787 0.943 19217 2969 1 8 . 1 1 67 67 THR H H 67 8.105 8.105 8.412 -0.307 19217 2970 1 8 . 1 1 68 68 GLU N N 68 122.415 122.415 120.257 2.158 19217 2971 1 8 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.598 0.038 19217 2972 1 8 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.510 0.759 19217 2973 1 8 . 1 1 68 68 GLU CB C 68 32.089 32.089 32.098 -0.009 19217 2974 1 8 . 1 1 68 68 GLU H H 68 8.171 8.171 7.808 0.363 19217 2975 1 8 . 1 1 69 69 GLY N N 69 109.155 109.155 107.989 1.166 19217 2976 1 8 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.610 -0.249 19217 2977 1 8 . 1 1 69 69 GLY H H 69 8.870 8.870 8.566 0.304 19217 2978 1 8 . 1 1 70 70 CYS N N 70 116.376 116.376 118.456 -2.080 19217 2979 1 8 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.584 -0.139 19217 2980 1 8 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.596 -3.147 19217 2981 1 8 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.903 12.888 19217 2982 1 8 . 1 1 70 70 CYS H H 70 8.335 8.335 7.964 0.371 19217 2983 1 8 . 1 1 71 71 ILE N N 71 121.812 121.812 121.174 0.638 19217 2984 1 8 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.536 -0.017 19217 2985 1 8 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.210 0.597 19217 2986 1 8 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.661 -0.835 19217 2987 1 8 . 1 1 71 71 ILE H H 71 9.129 9.129 8.515 0.614 19217 2988 1 8 . 1 1 72 72 LYS N N 72 121.424 121.424 118.696 2.728 19217 2989 1 8 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.008 0.007 19217 2990 1 8 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.690 -0.487 19217 2991 1 8 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.227 -0.144 19217 2992 1 8 . 1 1 72 72 LYS H H 72 8.179 8.179 8.496 -0.317 19217 2993 1 8 . 1 1 73 73 LYS N N 73 115.131 115.131 119.791 -4.660 19217 2994 1 8 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.105 0.078 19217 2995 1 8 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.179 -1.438 19217 2996 1 8 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.169 0.013 19217 2997 1 8 . 1 1 73 73 LYS H H 73 7.287 7.287 7.639 -0.352 19217 2998 1 8 . 1 1 74 74 VAL N N 74 117.637 117.637 116.137 1.500 19217 2999 1 8 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.672 -0.040 19217 3000 1 8 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.315 -0.376 19217 3001 1 8 . 1 1 74 74 VAL CB C 74 31.432 31.432 31.213 0.218 19217 3002 1 8 . 1 1 74 74 VAL H H 74 8.398 8.398 8.573 -0.175 19217 3003 1 8 . 1 1 75 75 SER N N 75 117.090 117.090 115.597 1.493 19217 3004 1 8 . 1 1 75 75 SER HA H 75 4.144 4.144 4.151 -0.007 19217 3005 1 8 . 1 1 75 75 SER CA C 75 61.816 61.816 61.496 0.320 19217 3006 1 8 . 1 1 75 75 SER CB C 75 62.840 62.840 62.844 -0.004 19217 3007 1 8 . 1 1 75 75 SER H H 75 8.249 8.249 7.858 0.391 19217 3008 1 8 . 1 1 76 76 ASP N N 76 121.102 121.102 122.984 -1.882 19217 3009 1 8 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.406 0.070 19217 3010 1 8 . 1 1 76 76 ASP CA C 76 56.417 56.417 58.087 -1.669 19217 3011 1 8 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.661 -0.225 19217 3012 1 8 . 1 1 76 76 ASP H H 76 8.240 8.240 7.441 0.799 19217 3013 1 8 . 1 1 77 77 LEU N N 77 119.967 119.967 116.744 3.223 19217 3014 1 8 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.189 0.022 19217 3015 1 8 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.908 -1.248 19217 3016 1 8 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.664 0.551 19217 3017 1 8 . 1 1 77 77 LEU H H 77 7.728 7.728 7.678 0.050 19217 3018 1 8 . 1 1 78 78 SER N N 78 113.729 113.729 114.348 -0.619 19217 3019 1 8 . 1 1 78 78 SER HA H 78 4.379 4.379 4.326 0.053 19217 3020 1 8 . 1 1 78 78 SER CA C 78 59.286 59.286 60.847 -1.561 19217 3021 1 8 . 1 1 78 78 SER CB C 78 63.761 63.761 63.647 0.114 19217 3022 1 8 . 1 1 78 78 SER H H 78 7.873 7.873 7.510 0.363 19217 3023 1 8 . 1 1 79 79 LYS N N 79 121.616 121.616 120.088 1.528 19217 3024 1 8 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.194 0.094 19217 3025 1 8 . 1 1 79 79 LYS CA C 79 56.416 56.416 56.935 -0.519 19217 3026 1 8 . 1 1 79 79 LYS CB C 79 32.842 32.842 33.213 -0.371 19217 3027 1 8 . 1 1 79 79 LYS H H 79 7.741 7.741 7.899 -0.158 19217 3028 1 8 . 1 1 80 80 ALA N N 80 124.562 124.562 122.832 1.730 19217 3029 1 8 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.154 0.120 19217 3030 1 8 . 1 1 80 80 ALA CA C 80 52.613 52.613 53.499 -0.886 19217 3031 1 8 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.379 -0.109 19217 3032 1 8 . 1 1 80 80 ALA H H 80 8.044 8.044 7.654 0.390 19217 3033 1 9 . 1 1 2 2 SER N N 2 115.654 115.654 117.010 -1.356 19217 3034 1 9 . 1 1 2 2 SER HA H 2 4.496 4.496 4.561 -0.065 19217 3035 1 9 . 1 1 2 2 SER CA C 2 58.438 58.438 57.935 0.503 19217 3036 1 9 . 1 1 2 2 SER CB C 2 63.859 63.859 63.643 0.216 19217 3037 1 9 . 1 1 2 2 SER H H 2 8.716 8.716 8.123 0.593 19217 3038 1 9 . 1 1 3 3 ASN N N 3 120.885 120.885 120.416 0.469 19217 3039 1 9 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.824 -0.096 19217 3040 1 9 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.290 0.029 19217 3041 1 9 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.595 -0.948 19217 3042 1 9 . 1 1 3 3 ASN H H 3 8.703 8.703 8.189 0.514 19217 3043 1 9 . 1 1 4 4 GLU N N 4 120.920 120.920 123.659 -2.739 19217 3044 1 9 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.438 -0.166 19217 3045 1 9 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.113 0.321 19217 3046 1 9 . 1 1 4 4 GLU CB C 4 30.469 30.469 30.254 0.215 19217 3047 1 9 . 1 1 4 4 GLU H H 4 8.261 8.261 8.591 -0.330 19217 3048 1 9 . 1 1 5 5 LYS N N 5 124.113 124.113 127.553 -3.440 19217 3049 1 9 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.738 -0.190 19217 3050 1 9 . 1 1 5 5 LYS CA C 5 54.630 54.630 52.984 1.645 19217 3051 1 9 . 1 1 5 5 LYS CB C 5 32.094 32.094 31.501 0.593 19217 3052 1 9 . 1 1 5 5 LYS H H 5 8.452 8.452 8.498 -0.046 19217 3053 1 9 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.394 -0.012 19217 3054 1 9 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.416 0.950 19217 3055 1 9 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.562 -0.429 19217 3056 1 9 . 1 1 7 7 LYS N N 7 121.721 121.721 120.802 0.919 19217 3057 1 9 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.394 -0.112 19217 3058 1 9 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.202 1.378 19217 3059 1 9 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.810 0.179 19217 3060 1 9 . 1 1 7 7 LYS H H 7 8.449 8.449 8.187 0.262 19217 3061 1 9 . 1 1 8 8 VAL N N 8 121.294 121.294 123.245 -1.951 19217 3062 1 9 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.269 -0.239 19217 3063 1 9 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.159 1.592 19217 3064 1 9 . 1 1 8 8 VAL CB C 8 32.778 32.778 34.017 -1.238 19217 3065 1 9 . 1 1 8 8 VAL H H 8 8.062 8.062 8.476 -0.414 19217 3066 1 9 . 1 1 9 9 LYS N N 9 125.108 125.108 124.916 0.192 19217 3067 1 9 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.069 0.132 19217 3068 1 9 . 1 1 9 9 LYS CA C 9 57.275 57.275 59.363 -2.088 19217 3069 1 9 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.245 0.637 19217 3070 1 9 . 1 1 9 9 LYS H H 9 8.429 8.429 8.862 -0.433 19217 3071 1 9 . 1 1 10 10 LYS N N 10 122.428 122.428 117.329 5.099 19217 3072 1 9 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.385 -0.185 19217 3073 1 9 . 1 1 10 10 LYS CA C 10 57.424 57.424 56.203 1.222 19217 3074 1 9 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.195 1.713 19217 3075 1 9 . 1 1 10 10 LYS H H 10 8.322 8.322 8.520 -0.198 19217 3076 1 9 . 1 1 11 11 HIS N N 11 119.909 119.909 120.165 -0.256 19217 3077 1 9 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.460 0.151 19217 3078 1 9 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.735 -1.741 19217 3079 1 9 . 1 1 11 11 HIS CB C 11 29.609 29.609 30.309 -0.700 19217 3080 1 9 . 1 1 11 11 HIS H H 11 8.402 8.402 7.841 0.561 19217 3081 1 9 . 1 1 12 12 ILE N N 12 121.819 121.819 119.079 2.740 19217 3082 1 9 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.556 0.303 19217 3083 1 9 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.422 -2.057 19217 3084 1 9 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.600 0.755 19217 3085 1 9 . 1 1 12 12 ILE H H 12 8.152 8.152 7.560 0.592 19217 3086 1 9 . 1 1 13 13 THR N N 13 116.420 116.420 113.253 3.167 19217 3087 1 9 . 1 1 13 13 THR HA H 13 3.933 3.933 3.883 0.050 19217 3088 1 9 . 1 1 13 13 THR CA C 13 64.847 64.847 66.553 -1.706 19217 3089 1 9 . 1 1 13 13 THR CB C 13 68.899 68.899 68.481 0.418 19217 3090 1 9 . 1 1 13 13 THR H H 13 8.095 8.095 8.473 -0.378 19217 3091 1 9 . 1 1 14 14 SER N N 14 116.367 116.367 117.185 -0.818 19217 3092 1 9 . 1 1 14 14 SER HA H 14 4.230 4.230 4.200 0.030 19217 3093 1 9 . 1 1 14 14 SER CA C 14 60.111 60.111 61.403 -1.292 19217 3094 1 9 . 1 1 14 14 SER CB C 14 63.317 63.317 62.685 0.632 19217 3095 1 9 . 1 1 14 14 SER H H 14 8.111 8.111 7.486 0.625 19217 3096 1 9 . 1 1 15 15 ALA N N 15 124.756 124.756 125.069 -0.313 19217 3097 1 9 . 1 1 15 15 ALA HA H 15 4.130 4.130 3.934 0.196 19217 3098 1 9 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.820 0.018 19217 3099 1 9 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.299 0.466 19217 3100 1 9 . 1 1 15 15 ALA H H 15 8.248 8.248 8.057 0.191 19217 3101 1 9 . 1 1 16 16 LEU N N 16 116.067 116.067 119.649 -3.582 19217 3102 1 9 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.052 -0.013 19217 3103 1 9 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.453 -0.578 19217 3104 1 9 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.711 -0.319 19217 3105 1 9 . 1 1 16 16 LEU H H 16 8.188 8.188 8.652 -0.464 19217 3106 1 9 . 1 1 17 17 LYS N N 17 119.021 119.021 117.624 1.397 19217 3107 1 9 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.914 -0.085 19217 3108 1 9 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.521 -0.595 19217 3109 1 9 . 1 1 17 17 LYS CB C 17 31.963 31.963 31.937 0.026 19217 3110 1 9 . 1 1 17 17 LYS H H 17 7.870 7.870 7.684 0.186 19217 3111 1 9 . 1 1 18 18 LYS N N 18 117.677 117.677 119.882 -2.205 19217 3112 1 9 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.116 -0.005 19217 3113 1 9 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.686 0.018 19217 3114 1 9 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.175 0.045 19217 3115 1 9 . 1 1 18 18 LYS H H 18 7.598 7.598 7.515 0.083 19217 3116 1 9 . 1 1 19 19 LEU N N 19 117.430 117.430 120.929 -3.499 19217 3117 1 9 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.797 0.278 19217 3118 1 9 . 1 1 19 19 LEU CA C 19 57.521 57.521 58.086 -0.565 19217 3119 1 9 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.932 0.023 19217 3120 1 9 . 1 1 19 19 LEU H H 19 7.594 7.594 7.990 -0.396 19217 3121 1 9 . 1 1 20 20 VAL N N 20 118.252 118.252 114.706 3.546 19217 3122 1 9 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.291 0.072 19217 3123 1 9 . 1 1 20 20 VAL CA C 20 66.046 66.046 65.075 0.971 19217 3124 1 9 . 1 1 20 20 VAL CB C 20 31.156 31.156 32.137 -0.981 19217 3125 1 9 . 1 1 20 20 VAL H H 20 7.662 7.662 7.519 0.143 19217 3126 1 9 . 1 1 21 21 ASP N N 21 119.557 119.557 120.300 -0.743 19217 3127 1 9 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.445 0.025 19217 3128 1 9 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.303 0.342 19217 3129 1 9 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.020 -0.105 19217 3130 1 9 . 1 1 21 21 ASP H H 21 7.645 7.645 7.489 0.156 19217 3131 1 9 . 1 1 22 22 LYS N N 22 117.493 117.493 119.196 -1.703 19217 3132 1 9 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.425 0.131 19217 3133 1 9 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.542 0.729 19217 3134 1 9 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.940 1.865 19217 3135 1 9 . 1 1 22 22 LYS H H 22 7.782 7.782 8.074 -0.292 19217 3136 1 9 . 1 1 23 23 TYR N N 23 121.877 121.877 121.453 0.424 19217 3137 1 9 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.122 -0.423 19217 3138 1 9 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.380 0.995 19217 3139 1 9 . 1 1 23 23 TYR CB C 23 40.332 40.332 39.082 1.250 19217 3140 1 9 . 1 1 23 23 TYR H H 23 7.738 7.738 7.367 0.371 19217 3141 1 9 . 1 1 24 24 ARG N N 24 111.739 111.739 116.708 -4.969 19217 3142 1 9 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.350 -0.208 19217 3143 1 9 . 1 1 24 24 ARG CA C 24 57.874 57.874 57.192 0.682 19217 3144 1 9 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.826 -0.027 19217 3145 1 9 . 1 1 24 24 ARG H H 24 8.577 8.577 8.565 0.012 19217 3146 1 9 . 1 1 25 25 ASN N N 25 113.359 113.359 116.928 -3.569 19217 3147 1 9 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.793 0.227 19217 3148 1 9 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.426 -1.111 19217 3149 1 9 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.841 0.033 19217 3150 1 9 . 1 1 25 25 ASN H H 25 7.711 7.711 7.655 0.056 19217 3151 1 9 . 1 1 26 26 ASP N N 26 120.181 120.181 120.329 -0.148 19217 3152 1 9 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.876 0.055 19217 3153 1 9 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.572 0.024 19217 3154 1 9 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.494 0.141 19217 3155 1 9 . 1 1 26 26 ASP H H 26 7.424 7.424 7.957 -0.533 19217 3156 1 9 . 1 1 27 27 GLU N N 27 126.678 126.678 125.480 1.198 19217 3157 1 9 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.953 -0.151 19217 3158 1 9 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.036 0.154 19217 3159 1 9 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.594 0.165 19217 3160 1 9 . 1 1 27 27 GLU H H 27 9.073 9.073 8.851 0.222 19217 3161 1 9 . 1 1 28 28 HIS N N 28 118.927 118.927 117.959 0.968 19217 3162 1 9 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.274 0.137 19217 3163 1 9 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.220 0.557 19217 3164 1 9 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.836 -2.019 19217 3165 1 9 . 1 1 28 28 HIS H H 28 8.585 8.585 8.623 -0.038 19217 3166 1 9 . 1 1 29 29 VAL N N 29 120.860 120.860 118.081 2.779 19217 3167 1 9 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.751 -0.311 19217 3168 1 9 . 1 1 29 29 VAL CA C 29 66.677 66.677 66.237 0.440 19217 3169 1 9 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.558 -0.054 19217 3170 1 9 . 1 1 29 29 VAL H H 29 7.811 7.811 7.453 0.358 19217 3171 1 9 . 1 1 30 30 ARG N N 30 119.042 119.042 120.057 -1.015 19217 3172 1 9 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.435 0.441 19217 3173 1 9 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.623 0.651 19217 3174 1 9 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.412 0.643 19217 3175 1 9 . 1 1 30 30 ARG H H 30 7.919 7.919 7.851 0.068 19217 3176 1 9 . 1 1 31 31 LYS N N 31 116.630 116.630 118.784 -2.154 19217 3177 1 9 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.073 0.053 19217 3178 1 9 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.418 0.167 19217 3179 1 9 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.781 0.682 19217 3180 1 9 . 1 1 31 31 LYS H H 31 7.583 7.583 7.591 -0.008 19217 3181 1 9 . 1 1 32 32 VAL N N 32 118.507 118.507 120.366 -1.859 19217 3182 1 9 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.815 -0.030 19217 3183 1 9 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.762 -0.663 19217 3184 1 9 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.736 0.534 19217 3185 1 9 . 1 1 32 32 VAL H H 32 7.576 7.576 7.339 0.237 19217 3186 1 9 . 1 1 33 33 PHE N N 33 120.874 120.874 120.206 0.668 19217 3187 1 9 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.224 0.052 19217 3188 1 9 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.431 0.084 19217 3189 1 9 . 1 1 33 33 PHE CB C 33 39.353 39.353 38.920 0.433 19217 3190 1 9 . 1 1 33 33 PHE H H 33 9.246 9.246 8.967 0.279 19217 3191 1 9 . 1 1 34 34 ASP N N 34 119.331 119.331 120.146 -0.815 19217 3192 1 9 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.408 0.120 19217 3193 1 9 . 1 1 34 34 ASP CA C 34 58.608 58.608 58.096 0.512 19217 3194 1 9 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.735 -0.814 19217 3195 1 9 . 1 1 34 34 ASP H H 34 9.507 9.507 8.733 0.774 19217 3196 1 9 . 1 1 35 35 GLU N N 35 118.378 118.378 119.488 -1.110 19217 3197 1 9 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.112 0.089 19217 3198 1 9 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.026 0.696 19217 3199 1 9 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.484 0.075 19217 3200 1 9 . 1 1 35 35 GLU H H 35 7.334 7.334 7.659 -0.325 19217 3201 1 9 . 1 1 36 36 ILE N N 36 119.241 119.241 120.855 -1.614 19217 3202 1 9 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.547 -0.104 19217 3203 1 9 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.400 1.361 19217 3204 1 9 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.566 0.886 19217 3205 1 9 . 1 1 36 36 ILE H H 36 8.054 8.054 7.741 0.313 19217 3206 1 9 . 1 1 37 37 GLN N N 37 117.541 117.541 118.529 -0.988 19217 3207 1 9 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.884 0.521 19217 3208 1 9 . 1 1 37 37 GLN CA C 37 60.016 60.016 58.940 1.076 19217 3209 1 9 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.698 -0.315 19217 3210 1 9 . 1 1 37 37 GLN H H 37 8.517 8.517 8.269 0.248 19217 3211 1 9 . 1 1 38 38 GLN N N 38 113.900 113.900 118.040 -4.140 19217 3212 1 9 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.086 0.158 19217 3213 1 9 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.268 0.254 19217 3214 1 9 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.753 1.442 19217 3215 1 9 . 1 1 38 38 GLN H H 38 8.023 8.023 7.739 0.284 19217 3216 1 9 . 1 1 39 39 LYS N N 39 117.850 117.850 119.701 -1.851 19217 3217 1 9 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.872 0.284 19217 3218 1 9 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.054 -0.171 19217 3219 1 9 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.034 0.885 19217 3220 1 9 . 1 1 39 39 LYS H H 39 8.480 8.480 8.217 0.263 19217 3221 1 9 . 1 1 40 40 LEU N N 40 114.726 114.726 115.825 -1.099 19217 3222 1 9 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.284 -0.101 19217 3223 1 9 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.835 -0.605 19217 3224 1 9 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.545 -0.756 19217 3225 1 9 . 1 1 40 40 LEU H H 40 8.427 8.427 7.882 0.545 19217 3226 1 9 . 1 1 41 41 HIS N N 41 115.299 115.299 113.565 1.734 19217 3227 1 9 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.296 -0.851 19217 3228 1 9 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.477 -2.753 19217 3229 1 9 . 1 1 41 41 HIS CB C 41 25.218 25.218 26.103 -0.885 19217 3230 1 9 . 1 1 41 41 HIS H H 41 7.466 7.466 7.350 0.116 19217 3231 1 9 . 1 1 42 42 CYS N N 42 116.999 116.999 111.791 5.208 19217 3232 1 9 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.757 0.307 19217 3233 1 9 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.009 -2.176 19217 3234 1 9 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.021 16.757 19217 3235 1 9 . 1 1 42 42 CYS H H 42 8.205 8.205 7.496 0.709 19217 3236 1 9 . 1 1 43 43 CYS N N 43 117.175 117.175 122.207 -5.032 19217 3237 1 9 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.009 0.133 19217 3238 1 9 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.197 -3.756 19217 3239 1 9 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.688 13.240 19217 3240 1 9 . 1 1 43 43 CYS H H 43 9.131 9.131 8.226 0.905 19217 3241 1 9 . 1 1 44 44 GLY N N 44 113.879 113.879 114.693 -0.814 19217 3242 1 9 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.395 -1.845 19217 3243 1 9 . 1 1 44 44 GLY H H 44 8.913 8.913 8.506 0.407 19217 3244 1 9 . 1 1 45 45 ALA N N 45 122.305 122.305 122.195 0.110 19217 3245 1 9 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.173 0.351 19217 3246 1 9 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.163 -1.339 19217 3247 1 9 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.704 -0.982 19217 3248 1 9 . 1 1 45 45 ALA H H 45 9.057 9.057 8.329 0.728 19217 3249 1 9 . 1 1 46 46 ASP N N 46 119.678 119.678 115.391 4.287 19217 3250 1 9 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.936 -0.323 19217 3251 1 9 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.061 3.036 19217 3252 1 9 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.419 -0.941 19217 3253 1 9 . 1 1 46 46 ASP H H 46 9.741 9.741 8.033 1.708 19217 3254 1 9 . 1 1 47 47 SER N N 47 112.389 112.389 112.222 0.167 19217 3255 1 9 . 1 1 47 47 SER HA H 47 4.654 4.654 4.795 -0.141 19217 3256 1 9 . 1 1 47 47 SER CA C 47 57.626 57.626 56.976 0.650 19217 3257 1 9 . 1 1 47 47 SER CB C 47 64.037 64.037 64.718 -0.681 19217 3258 1 9 . 1 1 47 47 SER H H 47 7.798 7.798 7.628 0.170 19217 3259 1 9 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.571 -0.426 19217 3260 1 9 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.149 0.981 19217 3261 1 9 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.185 0.162 19217 3262 1 9 . 1 1 49 49 LYS N N 49 115.074 115.074 116.066 -0.992 19217 3263 1 9 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.157 0.060 19217 3264 1 9 . 1 1 49 49 LYS CA C 49 57.299 57.299 57.720 -0.421 19217 3265 1 9 . 1 1 49 49 LYS CB C 49 30.913 30.913 30.817 0.096 19217 3266 1 9 . 1 1 49 49 LYS H H 49 8.151 8.151 8.066 0.085 19217 3267 1 9 . 1 1 50 50 ASP N N 50 122.818 122.818 119.605 3.213 19217 3268 1 9 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.242 0.070 19217 3269 1 9 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.975 0.274 19217 3270 1 9 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.562 0.919 19217 3271 1 9 . 1 1 50 50 ASP H H 50 8.149 8.149 7.759 0.390 19217 3272 1 9 . 1 1 51 51 TYR N N 51 114.312 114.312 116.055 -1.743 19217 3273 1 9 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.475 -0.099 19217 3274 1 9 . 1 1 51 51 TYR CA C 51 58.836 58.836 58.514 0.322 19217 3275 1 9 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.959 -1.055 19217 3276 1 9 . 1 1 51 51 TYR H H 51 7.260 7.260 7.297 -0.037 19217 3277 1 9 . 1 1 52 52 GLY N N 52 109.793 109.793 107.693 2.100 19217 3278 1 9 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.596 0.243 19217 3279 1 9 . 1 1 52 52 GLY H H 52 7.967 7.967 7.585 0.382 19217 3280 1 9 . 1 1 53 53 GLU N N 53 123.571 123.571 123.048 0.523 19217 3281 1 9 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.576 -0.374 19217 3282 1 9 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.346 0.759 19217 3283 1 9 . 1 1 53 53 GLU CB C 53 30.020 30.020 30.286 -0.266 19217 3284 1 9 . 1 1 53 53 GLU H H 53 8.788 8.788 8.815 -0.027 19217 3285 1 9 . 1 1 54 54 ASN N N 54 115.160 115.160 119.766 -4.606 19217 3286 1 9 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.993 0.229 19217 3287 1 9 . 1 1 54 54 ASN CA C 54 50.964 50.964 51.236 -0.272 19217 3288 1 9 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.051 1.349 19217 3289 1 9 . 1 1 54 54 ASN H H 54 7.853 7.853 8.179 -0.326 19217 3290 1 9 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.316 -0.271 19217 3291 1 9 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.637 -0.349 19217 3292 1 9 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.519 -0.848 19217 3293 1 9 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.323 0.210 19217 3294 1 9 . 1 1 56 56 PRO CA C 56 61.694 61.694 61.955 -0.261 19217 3295 1 9 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.239 1.218 19217 3296 1 9 . 1 1 57 57 THR N N 57 116.449 116.449 115.405 1.044 19217 3297 1 9 . 1 1 57 57 THR HA H 57 3.832 3.832 3.925 -0.093 19217 3298 1 9 . 1 1 57 57 THR CA C 57 65.318 65.318 65.239 0.079 19217 3299 1 9 . 1 1 57 57 THR CB C 57 68.433 68.433 68.496 -0.063 19217 3300 1 9 . 1 1 57 57 THR H H 57 8.894 8.894 8.762 0.132 19217 3301 1 9 . 1 1 58 58 SER N N 58 113.767 113.767 116.478 -2.711 19217 3302 1 9 . 1 1 58 58 SER HA H 58 4.409 4.409 4.514 -0.105 19217 3303 1 9 . 1 1 58 58 SER CA C 58 59.123 59.123 60.772 -1.649 19217 3304 1 9 . 1 1 58 58 SER CB C 58 62.669 62.669 62.238 0.431 19217 3305 1 9 . 1 1 58 58 SER H H 58 7.839 7.839 8.295 -0.456 19217 3306 1 9 . 1 1 59 59 CYS N N 59 117.062 117.062 120.134 -3.072 19217 3307 1 9 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.731 0.051 19217 3308 1 9 . 1 1 59 59 CYS CA C 59 60.912 60.912 60.074 0.838 19217 3309 1 9 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.185 19.632 19217 3310 1 9 . 1 1 59 59 CYS H H 59 7.397 7.397 7.856 -0.459 19217 3311 1 9 . 1 1 60 60 SER N N 60 112.368 112.368 112.556 -0.188 19217 3312 1 9 . 1 1 60 60 SER HA H 60 4.258 4.258 4.616 -0.358 19217 3313 1 9 . 1 1 60 60 SER CA C 60 56.925 56.925 55.937 0.988 19217 3314 1 9 . 1 1 60 60 SER CB C 60 67.049 67.049 66.066 0.983 19217 3315 1 9 . 1 1 60 60 SER H H 60 7.486 7.486 7.308 0.178 19217 3316 1 9 . 1 1 61 61 LYS N N 61 120.402 120.402 121.527 -1.125 19217 3317 1 9 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.546 -0.155 19217 3318 1 9 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.616 -0.299 19217 3319 1 9 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.682 1.262 19217 3320 1 9 . 1 1 61 61 LYS H H 61 7.918 7.918 8.195 -0.277 19217 3321 1 9 . 1 1 62 62 ASP N N 62 128.253 128.253 125.857 2.396 19217 3322 1 9 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.405 -0.125 19217 3323 1 9 . 1 1 62 62 ASP CA C 62 55.699 55.699 54.820 0.879 19217 3324 1 9 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.245 -0.723 19217 3325 1 9 . 1 1 62 62 ASP H H 62 9.517 9.517 8.873 0.644 19217 3326 1 9 . 1 1 63 63 GLY N N 63 103.421 103.421 105.106 -1.685 19217 3327 1 9 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.065 0.137 19217 3328 1 9 . 1 1 63 63 GLY H H 63 8.597 8.597 8.250 0.347 19217 3329 1 9 . 1 1 64 64 VAL N N 64 122.304 122.304 119.421 2.883 19217 3330 1 9 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.286 -0.227 19217 3331 1 9 . 1 1 64 64 VAL CA C 64 61.642 61.642 59.873 1.770 19217 3332 1 9 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.272 -1.989 19217 3333 1 9 . 1 1 64 64 VAL H H 64 7.630 7.630 7.116 0.514 19217 3334 1 9 . 1 1 65 65 GLN N N 65 126.376 126.376 123.934 2.442 19217 3335 1 9 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.360 -0.237 19217 3336 1 9 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.210 0.774 19217 3337 1 9 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.783 -0.646 19217 3338 1 9 . 1 1 65 65 GLN H H 65 8.366 8.366 8.330 0.036 19217 3339 1 9 . 1 1 66 66 PHE N N 66 126.770 126.770 126.177 0.593 19217 3340 1 9 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.506 0.419 19217 3341 1 9 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.533 -2.091 19217 3342 1 9 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.196 -0.604 19217 3343 1 9 . 1 1 66 66 PHE H H 66 8.606 8.606 8.212 0.394 19217 3344 1 9 . 1 1 67 67 THR N N 67 110.796 110.796 113.751 -2.955 19217 3345 1 9 . 1 1 67 67 THR HA H 67 4.378 4.378 4.442 -0.064 19217 3346 1 9 . 1 1 67 67 THR CA C 67 62.290 62.290 61.491 0.799 19217 3347 1 9 . 1 1 67 67 THR CB C 67 69.730 69.730 69.644 0.086 19217 3348 1 9 . 1 1 67 67 THR H H 67 8.105 8.105 8.620 -0.515 19217 3349 1 9 . 1 1 68 68 GLU N N 68 122.415 122.415 121.281 1.134 19217 3350 1 9 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.633 0.003 19217 3351 1 9 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.832 0.437 19217 3352 1 9 . 1 1 68 68 GLU CB C 68 32.089 32.089 32.703 -0.613 19217 3353 1 9 . 1 1 68 68 GLU H H 68 8.171 8.171 8.030 0.141 19217 3354 1 9 . 1 1 69 69 GLY N N 69 109.155 109.155 107.544 1.611 19217 3355 1 9 . 1 1 69 69 GLY CA C 69 44.361 44.361 43.986 0.375 19217 3356 1 9 . 1 1 69 69 GLY H H 69 8.870 8.870 8.517 0.353 19217 3357 1 9 . 1 1 70 70 CYS N N 70 116.376 116.376 119.913 -3.537 19217 3358 1 9 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.584 -0.139 19217 3359 1 9 . 1 1 70 70 CYS CA C 70 56.449 56.449 60.009 -3.560 19217 3360 1 9 . 1 1 70 70 CYS CB C 70 41.791 41.791 27.653 14.138 19217 3361 1 9 . 1 1 70 70 CYS H H 70 8.335 8.335 8.376 -0.041 19217 3362 1 9 . 1 1 71 71 ILE N N 71 121.812 121.812 121.017 0.795 19217 3363 1 9 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.552 -0.033 19217 3364 1 9 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.079 0.728 19217 3365 1 9 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.618 -0.792 19217 3366 1 9 . 1 1 71 71 ILE H H 71 9.129 9.129 8.566 0.563 19217 3367 1 9 . 1 1 72 72 LYS N N 72 121.424 121.424 117.952 3.472 19217 3368 1 9 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.127 -0.112 19217 3369 1 9 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.368 -0.165 19217 3370 1 9 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.361 -0.278 19217 3371 1 9 . 1 1 72 72 LYS H H 72 8.179 8.179 8.281 -0.102 19217 3372 1 9 . 1 1 73 73 LYS N N 73 115.131 115.131 120.254 -5.123 19217 3373 1 9 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.039 0.144 19217 3374 1 9 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.098 -1.356 19217 3375 1 9 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.321 -0.139 19217 3376 1 9 . 1 1 73 73 LYS H H 73 7.287 7.287 7.543 -0.256 19217 3377 1 9 . 1 1 74 74 VAL N N 74 117.637 117.637 115.988 1.649 19217 3378 1 9 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.706 -0.074 19217 3379 1 9 . 1 1 74 74 VAL CA C 74 65.939 65.939 65.985 -0.046 19217 3380 1 9 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.854 0.578 19217 3381 1 9 . 1 1 74 74 VAL H H 74 8.398 8.398 8.456 -0.058 19217 3382 1 9 . 1 1 75 75 SER N N 75 117.090 117.090 115.129 1.961 19217 3383 1 9 . 1 1 75 75 SER HA H 75 4.144 4.144 4.119 0.025 19217 3384 1 9 . 1 1 75 75 SER CA C 75 61.816 61.816 62.403 -0.587 19217 3385 1 9 . 1 1 75 75 SER CB C 75 62.840 62.840 63.006 -0.166 19217 3386 1 9 . 1 1 75 75 SER H H 75 8.249 8.249 7.659 0.590 19217 3387 1 9 . 1 1 76 76 ASP N N 76 121.102 121.102 122.746 -1.644 19217 3388 1 9 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.367 0.109 19217 3389 1 9 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.600 -1.183 19217 3390 1 9 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.943 -0.507 19217 3391 1 9 . 1 1 76 76 ASP H H 76 8.240 8.240 7.684 0.556 19217 3392 1 9 . 1 1 77 77 LEU N N 77 119.967 119.967 116.475 3.492 19217 3393 1 9 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.148 0.063 19217 3394 1 9 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.750 -1.090 19217 3395 1 9 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.663 0.553 19217 3396 1 9 . 1 1 77 77 LEU H H 77 7.728 7.728 7.644 0.084 19217 3397 1 9 . 1 1 78 78 SER N N 78 113.729 113.729 113.224 0.505 19217 3398 1 9 . 1 1 78 78 SER HA H 78 4.379 4.379 4.321 0.058 19217 3399 1 9 . 1 1 78 78 SER CA C 78 59.286 59.286 60.370 -1.084 19217 3400 1 9 . 1 1 78 78 SER CB C 78 63.761 63.761 63.593 0.168 19217 3401 1 9 . 1 1 78 78 SER H H 78 7.873 7.873 7.602 0.271 19217 3402 1 9 . 1 1 79 79 LYS N N 79 121.616 121.616 119.869 1.747 19217 3403 1 9 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.248 0.040 19217 3404 1 9 . 1 1 79 79 LYS CA C 79 56.416 56.416 56.555 -0.139 19217 3405 1 9 . 1 1 79 79 LYS CB C 79 32.842 32.842 33.240 -0.399 19217 3406 1 9 . 1 1 79 79 LYS H H 79 7.741 7.741 7.492 0.249 19217 3407 1 9 . 1 1 80 80 ALA N N 80 124.562 124.562 124.129 0.433 19217 3408 1 9 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.186 0.088 19217 3409 1 9 . 1 1 80 80 ALA CA C 80 52.613 52.613 53.670 -1.057 19217 3410 1 9 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.256 0.014 19217 3411 1 9 . 1 1 80 80 ALA H H 80 8.044 8.044 7.614 0.430 19217 3412 1 10 . 1 1 2 2 SER N N 2 115.654 115.654 116.628 -0.974 19217 3413 1 10 . 1 1 2 2 SER HA H 2 4.496 4.496 4.782 -0.286 19217 3414 1 10 . 1 1 2 2 SER CA C 2 58.438 58.438 57.781 0.657 19217 3415 1 10 . 1 1 2 2 SER CB C 2 63.859 63.859 65.061 -1.202 19217 3416 1 10 . 1 1 2 2 SER H H 2 8.716 8.716 8.184 0.532 19217 3417 1 10 . 1 1 3 3 ASN N N 3 120.885 120.885 121.392 -0.507 19217 3418 1 10 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.789 -0.061 19217 3419 1 10 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.665 -0.346 19217 3420 1 10 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.442 -0.795 19217 3421 1 10 . 1 1 3 3 ASN H H 3 8.703 8.703 8.685 0.018 19217 3422 1 10 . 1 1 4 4 GLU N N 4 120.920 120.920 120.873 0.047 19217 3423 1 10 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.448 -0.176 19217 3424 1 10 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.170 0.264 19217 3425 1 10 . 1 1 4 4 GLU CB C 4 30.469 30.469 30.913 -0.444 19217 3426 1 10 . 1 1 4 4 GLU H H 4 8.261 8.261 7.973 0.288 19217 3427 1 10 . 1 1 5 5 LYS N N 5 124.113 124.113 124.340 -0.227 19217 3428 1 10 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.771 -0.223 19217 3429 1 10 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.098 0.532 19217 3430 1 10 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.031 0.063 19217 3431 1 10 . 1 1 5 5 LYS H H 5 8.452 8.452 8.526 -0.074 19217 3432 1 10 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.574 -0.192 19217 3433 1 10 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.483 0.883 19217 3434 1 10 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.802 -0.669 19217 3435 1 10 . 1 1 7 7 LYS N N 7 121.721 121.721 119.599 2.122 19217 3436 1 10 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.676 -0.394 19217 3437 1 10 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.706 0.874 19217 3438 1 10 . 1 1 7 7 LYS CB C 7 32.989 32.989 34.292 -1.303 19217 3439 1 10 . 1 1 7 7 LYS H H 7 8.449 8.449 8.275 0.174 19217 3440 1 10 . 1 1 8 8 VAL N N 8 121.294 121.294 124.193 -2.899 19217 3441 1 10 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.319 -0.289 19217 3442 1 10 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.996 0.755 19217 3443 1 10 . 1 1 8 8 VAL CB C 8 32.778 32.778 33.173 -0.395 19217 3444 1 10 . 1 1 8 8 VAL H H 8 8.062 8.062 8.548 -0.486 19217 3445 1 10 . 1 1 9 9 LYS N N 9 125.108 125.108 125.785 -0.677 19217 3446 1 10 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.651 -0.450 19217 3447 1 10 . 1 1 9 9 LYS CA C 9 57.275 57.275 56.987 0.288 19217 3448 1 10 . 1 1 9 9 LYS CB C 9 32.882 32.882 33.701 -0.819 19217 3449 1 10 . 1 1 9 9 LYS H H 9 8.429 8.429 8.604 -0.175 19217 3450 1 10 . 1 1 10 10 LYS N N 10 122.428 122.428 117.903 4.525 19217 3451 1 10 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.345 -0.145 19217 3452 1 10 . 1 1 10 10 LYS CA C 10 57.424 57.424 57.593 -0.169 19217 3453 1 10 . 1 1 10 10 LYS CB C 10 32.908 32.908 32.125 0.783 19217 3454 1 10 . 1 1 10 10 LYS H H 10 8.322 8.322 8.488 -0.166 19217 3455 1 10 . 1 1 11 11 HIS N N 11 119.909 119.909 119.093 0.816 19217 3456 1 10 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.524 0.087 19217 3457 1 10 . 1 1 11 11 HIS CA C 11 56.994 56.994 57.437 -0.443 19217 3458 1 10 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.668 -0.059 19217 3459 1 10 . 1 1 11 11 HIS H H 11 8.402 8.402 8.237 0.165 19217 3460 1 10 . 1 1 12 12 ILE N N 12 121.819 121.819 119.148 2.671 19217 3461 1 10 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.747 0.112 19217 3462 1 10 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.722 -1.356 19217 3463 1 10 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.819 0.536 19217 3464 1 10 . 1 1 12 12 ILE H H 12 8.152 8.152 7.910 0.242 19217 3465 1 10 . 1 1 13 13 THR N N 13 116.420 116.420 115.102 1.318 19217 3466 1 10 . 1 1 13 13 THR HA H 13 3.933 3.933 3.889 0.044 19217 3467 1 10 . 1 1 13 13 THR CA C 13 64.847 64.847 67.400 -2.553 19217 3468 1 10 . 1 1 13 13 THR CB C 13 68.899 68.899 68.351 0.548 19217 3469 1 10 . 1 1 13 13 THR H H 13 8.095 8.095 7.922 0.173 19217 3470 1 10 . 1 1 14 14 SER N N 14 116.367 116.367 117.657 -1.290 19217 3471 1 10 . 1 1 14 14 SER HA H 14 4.230 4.230 4.112 0.118 19217 3472 1 10 . 1 1 14 14 SER CA C 14 60.111 60.111 61.323 -1.212 19217 3473 1 10 . 1 1 14 14 SER CB C 14 63.317 63.317 62.055 1.262 19217 3474 1 10 . 1 1 14 14 SER H H 14 8.111 8.111 7.663 0.448 19217 3475 1 10 . 1 1 15 15 ALA N N 15 124.756 124.756 123.705 1.051 19217 3476 1 10 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.152 -0.022 19217 3477 1 10 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.594 0.244 19217 3478 1 10 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.433 0.332 19217 3479 1 10 . 1 1 15 15 ALA H H 15 8.248 8.248 7.318 0.930 19217 3480 1 10 . 1 1 16 16 LEU N N 16 116.067 116.067 119.776 -3.709 19217 3481 1 10 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.253 -0.214 19217 3482 1 10 . 1 1 16 16 LEU CA C 16 57.875 57.875 57.912 -0.037 19217 3483 1 10 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.977 -0.585 19217 3484 1 10 . 1 1 16 16 LEU H H 16 8.188 8.188 8.167 0.021 19217 3485 1 10 . 1 1 17 17 LYS N N 17 119.021 119.021 119.085 -0.064 19217 3486 1 10 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.912 -0.083 19217 3487 1 10 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.791 -0.865 19217 3488 1 10 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.277 -0.314 19217 3489 1 10 . 1 1 17 17 LYS H H 17 7.870 7.870 8.272 -0.402 19217 3490 1 10 . 1 1 18 18 LYS N N 18 117.677 117.677 118.063 -0.386 19217 3491 1 10 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.097 0.014 19217 3492 1 10 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.831 -0.127 19217 3493 1 10 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.059 0.161 19217 3494 1 10 . 1 1 18 18 LYS H H 18 7.598 7.598 7.642 -0.044 19217 3495 1 10 . 1 1 19 19 LEU N N 19 117.430 117.430 121.214 -3.784 19217 3496 1 10 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.872 0.203 19217 3497 1 10 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.588 -0.067 19217 3498 1 10 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.905 0.050 19217 3499 1 10 . 1 1 19 19 LEU H H 19 7.594 7.594 7.437 0.157 19217 3500 1 10 . 1 1 20 20 VAL N N 20 118.252 118.252 115.573 2.679 19217 3501 1 10 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.168 0.195 19217 3502 1 10 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.713 1.333 19217 3503 1 10 . 1 1 20 20 VAL CB C 20 31.156 31.156 32.056 -0.900 19217 3504 1 10 . 1 1 20 20 VAL H H 20 7.662 7.662 7.586 0.076 19217 3505 1 10 . 1 1 21 21 ASP N N 21 119.557 119.557 117.808 1.749 19217 3506 1 10 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.386 0.084 19217 3507 1 10 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.148 0.498 19217 3508 1 10 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.988 -0.073 19217 3509 1 10 . 1 1 21 21 ASP H H 21 7.645 7.645 7.399 0.245 19217 3510 1 10 . 1 1 22 22 LYS N N 22 117.493 117.493 118.687 -1.194 19217 3511 1 10 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.488 0.067 19217 3512 1 10 . 1 1 22 22 LYS CA C 22 56.271 56.271 54.912 1.359 19217 3513 1 10 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.647 2.158 19217 3514 1 10 . 1 1 22 22 LYS H H 22 7.782 7.782 8.001 -0.219 19217 3515 1 10 . 1 1 23 23 TYR N N 23 121.877 121.877 121.615 0.262 19217 3516 1 10 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.119 -0.420 19217 3517 1 10 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.588 0.788 19217 3518 1 10 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.886 1.446 19217 3519 1 10 . 1 1 23 23 TYR H H 23 7.738 7.738 7.250 0.488 19217 3520 1 10 . 1 1 24 24 ARG N N 24 111.739 111.739 116.436 -4.697 19217 3521 1 10 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.374 -0.232 19217 3522 1 10 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.854 1.020 19217 3523 1 10 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.514 0.285 19217 3524 1 10 . 1 1 24 24 ARG H H 24 8.577 8.577 8.560 0.017 19217 3525 1 10 . 1 1 25 25 ASN N N 25 113.359 113.359 117.123 -3.764 19217 3526 1 10 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.784 0.236 19217 3527 1 10 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.645 -1.330 19217 3528 1 10 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.624 0.250 19217 3529 1 10 . 1 1 25 25 ASN H H 25 7.711 7.711 7.654 0.057 19217 3530 1 10 . 1 1 26 26 ASP N N 26 120.181 120.181 120.070 0.111 19217 3531 1 10 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.925 0.006 19217 3532 1 10 . 1 1 26 26 ASP CA C 26 53.596 53.596 52.959 0.637 19217 3533 1 10 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.126 0.509 19217 3534 1 10 . 1 1 26 26 ASP H H 26 7.424 7.424 7.872 -0.448 19217 3535 1 10 . 1 1 27 27 GLU N N 27 126.678 126.678 125.959 0.719 19217 3536 1 10 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.877 -0.075 19217 3537 1 10 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.817 -0.627 19217 3538 1 10 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.324 0.435 19217 3539 1 10 . 1 1 27 27 GLU H H 27 9.073 9.073 8.883 0.190 19217 3540 1 10 . 1 1 28 28 HIS N N 28 118.927 118.927 118.414 0.513 19217 3541 1 10 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.324 0.087 19217 3542 1 10 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.344 0.432 19217 3543 1 10 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.582 -1.765 19217 3544 1 10 . 1 1 28 28 HIS H H 28 8.585 8.585 8.591 -0.006 19217 3545 1 10 . 1 1 29 29 VAL N N 29 120.860 120.860 117.669 3.191 19217 3546 1 10 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.797 -0.357 19217 3547 1 10 . 1 1 29 29 VAL CA C 29 66.677 66.677 66.136 0.541 19217 3548 1 10 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.326 0.178 19217 3549 1 10 . 1 1 29 29 VAL H H 29 7.811 7.811 7.415 0.396 19217 3550 1 10 . 1 1 30 30 ARG N N 30 119.042 119.042 119.983 -0.941 19217 3551 1 10 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.334 0.542 19217 3552 1 10 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.647 0.627 19217 3553 1 10 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.451 0.604 19217 3554 1 10 . 1 1 30 30 ARG H H 30 7.919 7.919 7.727 0.192 19217 3555 1 10 . 1 1 31 31 LYS N N 31 116.630 116.630 118.784 -2.154 19217 3556 1 10 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.059 0.067 19217 3557 1 10 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.358 0.227 19217 3558 1 10 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.807 0.656 19217 3559 1 10 . 1 1 31 31 LYS H H 31 7.583 7.583 7.619 -0.036 19217 3560 1 10 . 1 1 32 32 VAL N N 32 118.507 118.507 120.394 -1.887 19217 3561 1 10 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.811 -0.026 19217 3562 1 10 . 1 1 32 32 VAL CA C 32 66.099 66.099 65.894 0.205 19217 3563 1 10 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.737 0.533 19217 3564 1 10 . 1 1 32 32 VAL H H 32 7.576 7.576 7.249 0.327 19217 3565 1 10 . 1 1 33 33 PHE N N 33 120.874 120.874 119.837 1.037 19217 3566 1 10 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.159 0.117 19217 3567 1 10 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.776 -0.261 19217 3568 1 10 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.278 0.075 19217 3569 1 10 . 1 1 33 33 PHE H H 33 9.246 9.246 8.887 0.359 19217 3570 1 10 . 1 1 34 34 ASP N N 34 119.331 119.331 120.357 -1.026 19217 3571 1 10 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.437 0.091 19217 3572 1 10 . 1 1 34 34 ASP CA C 34 58.608 58.608 58.037 0.571 19217 3573 1 10 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.742 -0.821 19217 3574 1 10 . 1 1 34 34 ASP H H 34 9.507 9.507 8.684 0.823 19217 3575 1 10 . 1 1 35 35 GLU N N 35 118.378 118.378 119.618 -1.240 19217 3576 1 10 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.109 0.092 19217 3577 1 10 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.087 0.635 19217 3578 1 10 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.529 0.031 19217 3579 1 10 . 1 1 35 35 GLU H H 35 7.334 7.334 7.639 -0.305 19217 3580 1 10 . 1 1 36 36 ILE N N 36 119.241 119.241 120.841 -1.600 19217 3581 1 10 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.530 -0.087 19217 3582 1 10 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.472 1.289 19217 3583 1 10 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.505 0.947 19217 3584 1 10 . 1 1 36 36 ILE H H 36 8.054 8.054 7.722 0.332 19217 3585 1 10 . 1 1 37 37 GLN N N 37 117.541 117.541 118.567 -1.026 19217 3586 1 10 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.921 0.484 19217 3587 1 10 . 1 1 37 37 GLN CA C 37 60.016 60.016 58.989 1.027 19217 3588 1 10 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.698 -0.315 19217 3589 1 10 . 1 1 37 37 GLN H H 37 8.517 8.517 8.240 0.277 19217 3590 1 10 . 1 1 38 38 GLN N N 38 113.900 113.900 118.277 -4.377 19217 3591 1 10 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.137 0.107 19217 3592 1 10 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.398 0.124 19217 3593 1 10 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.732 1.463 19217 3594 1 10 . 1 1 38 38 GLN H H 38 8.023 8.023 7.634 0.389 19217 3595 1 10 . 1 1 39 39 LYS N N 39 117.850 117.850 119.786 -1.936 19217 3596 1 10 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.861 0.295 19217 3597 1 10 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.027 -0.144 19217 3598 1 10 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.052 0.867 19217 3599 1 10 . 1 1 39 39 LYS H H 39 8.480 8.480 8.245 0.235 19217 3600 1 10 . 1 1 40 40 LEU N N 40 114.726 114.726 115.911 -1.185 19217 3601 1 10 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.305 -0.122 19217 3602 1 10 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.590 -0.360 19217 3603 1 10 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.314 -0.525 19217 3604 1 10 . 1 1 40 40 LEU H H 40 8.427 8.427 7.880 0.547 19217 3605 1 10 . 1 1 41 41 HIS N N 41 115.299 115.299 113.563 1.736 19217 3606 1 10 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.190 -0.745 19217 3607 1 10 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.583 -2.860 19217 3608 1 10 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.688 -0.470 19217 3609 1 10 . 1 1 41 41 HIS H H 41 7.466 7.466 7.355 0.111 19217 3610 1 10 . 1 1 42 42 CYS N N 42 116.999 116.999 111.459 5.540 19217 3611 1 10 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.849 0.215 19217 3612 1 10 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.009 -2.176 19217 3613 1 10 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.412 16.366 19217 3614 1 10 . 1 1 42 42 CYS H H 42 8.205 8.205 7.654 0.551 19217 3615 1 10 . 1 1 43 43 CYS N N 43 117.175 117.175 122.242 -5.067 19217 3616 1 10 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.030 0.112 19217 3617 1 10 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.198 -3.757 19217 3618 1 10 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.598 13.330 19217 3619 1 10 . 1 1 43 43 CYS H H 43 9.131 9.131 8.539 0.592 19217 3620 1 10 . 1 1 44 44 GLY N N 44 113.879 113.879 115.214 -1.335 19217 3621 1 10 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.370 -1.820 19217 3622 1 10 . 1 1 44 44 GLY H H 44 8.913 8.913 8.671 0.242 19217 3623 1 10 . 1 1 45 45 ALA N N 45 122.305 122.305 122.429 -0.124 19217 3624 1 10 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.192 0.332 19217 3625 1 10 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.441 -1.617 19217 3626 1 10 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.543 -0.821 19217 3627 1 10 . 1 1 45 45 ALA H H 45 9.057 9.057 8.603 0.454 19217 3628 1 10 . 1 1 46 46 ASP N N 46 119.678 119.678 113.726 5.952 19217 3629 1 10 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.856 -0.243 19217 3630 1 10 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.446 2.651 19217 3631 1 10 . 1 1 46 46 ASP CB C 46 42.478 42.478 42.814 -0.336 19217 3632 1 10 . 1 1 46 46 ASP H H 46 9.741 9.741 8.154 1.587 19217 3633 1 10 . 1 1 47 47 SER N N 47 112.389 112.389 111.482 0.907 19217 3634 1 10 . 1 1 47 47 SER HA H 47 4.654 4.654 4.828 -0.174 19217 3635 1 10 . 1 1 47 47 SER CA C 47 57.626 57.626 56.775 0.851 19217 3636 1 10 . 1 1 47 47 SER CB C 47 64.037 64.037 64.725 -0.688 19217 3637 1 10 . 1 1 47 47 SER H H 47 7.798 7.798 7.412 0.386 19217 3638 1 10 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.529 -0.384 19217 3639 1 10 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.225 0.905 19217 3640 1 10 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.217 0.130 19217 3641 1 10 . 1 1 49 49 LYS N N 49 115.074 115.074 117.768 -2.694 19217 3642 1 10 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.134 0.083 19217 3643 1 10 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.043 -0.744 19217 3644 1 10 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.301 -0.388 19217 3645 1 10 . 1 1 49 49 LYS H H 49 8.151 8.151 8.196 -0.045 19217 3646 1 10 . 1 1 50 50 ASP N N 50 122.818 122.818 119.446 3.372 19217 3647 1 10 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.277 0.035 19217 3648 1 10 . 1 1 50 50 ASP CA C 50 57.249 57.249 57.144 0.105 19217 3649 1 10 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.394 1.087 19217 3650 1 10 . 1 1 50 50 ASP H H 50 8.149 8.149 7.771 0.378 19217 3651 1 10 . 1 1 51 51 TYR N N 51 114.312 114.312 116.644 -2.332 19217 3652 1 10 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.298 0.078 19217 3653 1 10 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.852 -1.016 19217 3654 1 10 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.299 -0.395 19217 3655 1 10 . 1 1 51 51 TYR H H 51 7.260 7.260 7.424 -0.164 19217 3656 1 10 . 1 1 52 52 GLY N N 52 109.793 109.793 107.275 2.518 19217 3657 1 10 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.468 0.371 19217 3658 1 10 . 1 1 52 52 GLY H H 52 7.967 7.967 7.624 0.343 19217 3659 1 10 . 1 1 53 53 GLU N N 53 123.571 123.571 123.253 0.318 19217 3660 1 10 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.509 -0.307 19217 3661 1 10 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.009 1.096 19217 3662 1 10 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.756 0.264 19217 3663 1 10 . 1 1 53 53 GLU H H 53 8.788 8.788 8.744 0.044 19217 3664 1 10 . 1 1 54 54 ASN N N 54 115.160 115.160 117.199 -2.039 19217 3665 1 10 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.866 0.356 19217 3666 1 10 . 1 1 54 54 ASN CA C 54 50.964 50.964 51.355 -0.391 19217 3667 1 10 . 1 1 54 54 ASN CB C 54 40.400 40.400 38.020 2.381 19217 3668 1 10 . 1 1 54 54 ASN H H 54 7.853 7.853 8.011 -0.158 19217 3669 1 10 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.176 -0.131 19217 3670 1 10 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.692 -0.404 19217 3671 1 10 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.397 -0.726 19217 3672 1 10 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.314 0.219 19217 3673 1 10 . 1 1 56 56 PRO CA C 56 61.694 61.694 61.942 -0.248 19217 3674 1 10 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.229 1.228 19217 3675 1 10 . 1 1 57 57 THR N N 57 116.449 116.449 115.631 0.818 19217 3676 1 10 . 1 1 57 57 THR HA H 57 3.832 3.832 3.904 -0.072 19217 3677 1 10 . 1 1 57 57 THR CA C 57 65.318 65.318 65.347 -0.029 19217 3678 1 10 . 1 1 57 57 THR CB C 57 68.433 68.433 68.434 -0.001 19217 3679 1 10 . 1 1 57 57 THR H H 57 8.894 8.894 8.710 0.184 19217 3680 1 10 . 1 1 58 58 SER N N 58 113.767 113.767 116.444 -2.677 19217 3681 1 10 . 1 1 58 58 SER HA H 58 4.409 4.409 4.228 0.181 19217 3682 1 10 . 1 1 58 58 SER CA C 58 59.123 59.123 61.148 -2.025 19217 3683 1 10 . 1 1 58 58 SER CB C 58 62.669 62.669 62.197 0.472 19217 3684 1 10 . 1 1 58 58 SER H H 58 7.839 7.839 8.554 -0.715 19217 3685 1 10 . 1 1 59 59 CYS N N 59 117.062 117.062 122.240 -5.178 19217 3686 1 10 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.567 0.215 19217 3687 1 10 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.007 1.905 19217 3688 1 10 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.807 19.010 19217 3689 1 10 . 1 1 59 59 CYS H H 59 7.397 7.397 7.888 -0.491 19217 3690 1 10 . 1 1 60 60 SER N N 60 112.368 112.368 112.674 -0.306 19217 3691 1 10 . 1 1 60 60 SER HA H 60 4.258 4.258 4.704 -0.446 19217 3692 1 10 . 1 1 60 60 SER CA C 60 56.925 56.925 56.495 0.430 19217 3693 1 10 . 1 1 60 60 SER CB C 60 67.049 67.049 65.905 1.144 19217 3694 1 10 . 1 1 60 60 SER H H 60 7.486 7.486 7.522 -0.036 19217 3695 1 10 . 1 1 61 61 LYS N N 61 120.402 120.402 121.224 -0.822 19217 3696 1 10 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.517 -0.126 19217 3697 1 10 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.811 -0.494 19217 3698 1 10 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.871 1.073 19217 3699 1 10 . 1 1 61 61 LYS H H 61 7.918 7.918 8.258 -0.340 19217 3700 1 10 . 1 1 62 62 ASP N N 62 128.253 128.253 124.872 3.381 19217 3701 1 10 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.362 -0.082 19217 3702 1 10 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.005 0.695 19217 3703 1 10 . 1 1 62 62 ASP CB C 62 39.522 39.522 39.459 0.063 19217 3704 1 10 . 1 1 62 62 ASP H H 62 9.517 9.517 8.929 0.588 19217 3705 1 10 . 1 1 63 63 GLY N N 63 103.421 103.421 105.099 -1.678 19217 3706 1 10 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.117 0.085 19217 3707 1 10 . 1 1 63 63 GLY H H 63 8.597 8.597 8.302 0.295 19217 3708 1 10 . 1 1 64 64 VAL N N 64 122.304 122.304 118.898 3.406 19217 3709 1 10 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.297 -0.238 19217 3710 1 10 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.220 1.422 19217 3711 1 10 . 1 1 64 64 VAL CB C 64 33.283 33.283 34.553 -1.270 19217 3712 1 10 . 1 1 64 64 VAL H H 64 7.630 7.630 7.287 0.343 19217 3713 1 10 . 1 1 65 65 GLN N N 65 126.376 126.376 123.868 2.508 19217 3714 1 10 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.261 -0.138 19217 3715 1 10 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.302 0.682 19217 3716 1 10 . 1 1 65 65 GLN CB C 65 30.137 30.137 31.064 -0.926 19217 3717 1 10 . 1 1 65 65 GLN H H 65 8.366 8.366 8.457 -0.091 19217 3718 1 10 . 1 1 66 66 PHE N N 66 126.770 126.770 126.303 0.467 19217 3719 1 10 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.538 0.387 19217 3720 1 10 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.925 -1.483 19217 3721 1 10 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.081 -0.489 19217 3722 1 10 . 1 1 66 66 PHE H H 66 8.606 8.606 8.327 0.279 19217 3723 1 10 . 1 1 67 67 THR N N 67 110.796 110.796 114.473 -3.677 19217 3724 1 10 . 1 1 67 67 THR HA H 67 4.378 4.378 4.417 -0.039 19217 3725 1 10 . 1 1 67 67 THR CA C 67 62.290 62.290 61.333 0.957 19217 3726 1 10 . 1 1 67 67 THR CB C 67 69.730 69.730 69.258 0.472 19217 3727 1 10 . 1 1 67 67 THR H H 67 8.105 8.105 8.420 -0.315 19217 3728 1 10 . 1 1 68 68 GLU N N 68 122.415 122.415 121.480 0.935 19217 3729 1 10 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.654 -0.018 19217 3730 1 10 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.959 0.310 19217 3731 1 10 . 1 1 68 68 GLU CB C 68 32.089 32.089 32.750 -0.661 19217 3732 1 10 . 1 1 68 68 GLU H H 68 8.171 8.171 8.040 0.131 19217 3733 1 10 . 1 1 69 69 GLY N N 69 109.155 109.155 107.578 1.577 19217 3734 1 10 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.651 -0.290 19217 3735 1 10 . 1 1 69 69 GLY H H 69 8.870 8.870 8.551 0.319 19217 3736 1 10 . 1 1 70 70 CYS N N 70 116.376 116.376 119.216 -2.840 19217 3737 1 10 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.623 -0.178 19217 3738 1 10 . 1 1 70 70 CYS CA C 70 56.449 56.449 60.068 -3.619 19217 3739 1 10 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.243 13.548 19217 3740 1 10 . 1 1 70 70 CYS H H 70 8.335 8.335 8.441 -0.106 19217 3741 1 10 . 1 1 71 71 ILE N N 71 121.812 121.812 120.961 0.851 19217 3742 1 10 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.571 -0.052 19217 3743 1 10 . 1 1 71 71 ILE CA C 71 66.807 66.807 65.994 0.813 19217 3744 1 10 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.582 -0.756 19217 3745 1 10 . 1 1 71 71 ILE H H 71 9.129 9.129 8.740 0.389 19217 3746 1 10 . 1 1 72 72 LYS N N 72 121.424 121.424 117.826 3.598 19217 3747 1 10 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.079 -0.064 19217 3748 1 10 . 1 1 72 72 LYS CA C 72 59.203 59.203 58.718 0.485 19217 3749 1 10 . 1 1 72 72 LYS CB C 72 32.083 32.083 31.821 0.262 19217 3750 1 10 . 1 1 72 72 LYS H H 72 8.179 8.179 8.392 -0.213 19217 3751 1 10 . 1 1 73 73 LYS N N 73 115.131 115.131 119.937 -4.806 19217 3752 1 10 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.098 0.085 19217 3753 1 10 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.739 -0.997 19217 3754 1 10 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.204 -0.022 19217 3755 1 10 . 1 1 73 73 LYS H H 73 7.287 7.287 7.721 -0.434 19217 3756 1 10 . 1 1 74 74 VAL N N 74 117.637 117.637 115.315 2.322 19217 3757 1 10 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.657 -0.025 19217 3758 1 10 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.139 -0.200 19217 3759 1 10 . 1 1 74 74 VAL CB C 74 31.432 31.432 31.106 0.326 19217 3760 1 10 . 1 1 74 74 VAL H H 74 8.398 8.398 8.543 -0.145 19217 3761 1 10 . 1 1 75 75 SER N N 75 117.090 117.090 115.025 2.065 19217 3762 1 10 . 1 1 75 75 SER HA H 75 4.144 4.144 4.205 -0.061 19217 3763 1 10 . 1 1 75 75 SER CA C 75 61.816 61.816 61.211 0.605 19217 3764 1 10 . 1 1 75 75 SER CB C 75 62.840 62.840 62.986 -0.146 19217 3765 1 10 . 1 1 75 75 SER H H 75 8.249 8.249 7.778 0.471 19217 3766 1 10 . 1 1 76 76 ASP N N 76 121.102 121.102 122.556 -1.454 19217 3767 1 10 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.450 0.026 19217 3768 1 10 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.279 -0.862 19217 3769 1 10 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.761 -0.325 19217 3770 1 10 . 1 1 76 76 ASP H H 76 8.240 8.240 7.679 0.561 19217 3771 1 10 . 1 1 77 77 LEU N N 77 119.967 119.967 117.391 2.576 19217 3772 1 10 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.184 0.027 19217 3773 1 10 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.692 -1.032 19217 3774 1 10 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.672 0.544 19217 3775 1 10 . 1 1 77 77 LEU H H 77 7.728 7.728 7.628 0.100 19217 3776 1 10 . 1 1 78 78 SER N N 78 113.729 113.729 114.345 -0.616 19217 3777 1 10 . 1 1 78 78 SER HA H 78 4.379 4.379 4.218 0.161 19217 3778 1 10 . 1 1 78 78 SER CA C 78 59.286 59.286 61.160 -1.873 19217 3779 1 10 . 1 1 78 78 SER CB C 78 63.761 63.761 63.598 0.163 19217 3780 1 10 . 1 1 78 78 SER H H 78 7.873 7.873 7.808 0.065 19217 3781 1 10 . 1 1 79 79 LYS N N 79 121.616 121.616 118.209 3.407 19217 3782 1 10 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.339 -0.051 19217 3783 1 10 . 1 1 79 79 LYS CA C 79 56.416 56.416 56.591 -0.175 19217 3784 1 10 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.814 0.028 19217 3785 1 10 . 1 1 79 79 LYS H H 79 7.741 7.741 7.469 0.272 19217 3786 1 10 . 1 1 80 80 ALA N N 80 124.562 124.562 125.153 -0.591 19217 3787 1 10 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.190 0.084 19217 3788 1 10 . 1 1 80 80 ALA CA C 80 52.613 52.613 53.523 -0.910 19217 3789 1 10 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.331 -0.061 19217 3790 1 10 . 1 1 80 80 ALA H H 80 8.044 8.044 7.566 0.478 19217 3791 1 11 . 1 1 2 2 SER N N 2 115.654 115.654 116.966 -1.312 19217 3792 1 11 . 1 1 2 2 SER HA H 2 4.496 4.496 4.866 -0.370 19217 3793 1 11 . 1 1 2 2 SER CA C 2 58.438 58.438 57.736 0.702 19217 3794 1 11 . 1 1 2 2 SER CB C 2 63.859 63.859 63.973 -0.114 19217 3795 1 11 . 1 1 2 2 SER H H 2 8.716 8.716 8.429 0.287 19217 3796 1 11 . 1 1 3 3 ASN N N 3 120.885 120.885 121.632 -0.747 19217 3797 1 11 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.705 0.023 19217 3798 1 11 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.418 -0.099 19217 3799 1 11 . 1 1 3 3 ASN CB C 3 38.647 38.647 40.760 -2.113 19217 3800 1 11 . 1 1 3 3 ASN H H 3 8.703 8.703 8.608 0.095 19217 3801 1 11 . 1 1 4 4 GLU N N 4 120.920 120.920 121.283 -0.363 19217 3802 1 11 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.562 -0.290 19217 3803 1 11 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.030 0.404 19217 3804 1 11 . 1 1 4 4 GLU CB C 4 30.469 30.469 29.947 0.522 19217 3805 1 11 . 1 1 4 4 GLU H H 4 8.261 8.261 8.614 -0.353 19217 3806 1 11 . 1 1 5 5 LYS N N 5 124.113 124.113 126.475 -2.362 19217 3807 1 11 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.770 -0.222 19217 3808 1 11 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.602 0.028 19217 3809 1 11 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.470 -0.376 19217 3810 1 11 . 1 1 5 5 LYS H H 5 8.452 8.452 8.531 -0.079 19217 3811 1 11 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.522 -0.140 19217 3812 1 11 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.441 0.925 19217 3813 1 11 . 1 1 6 6 PRO CB C 6 32.133 32.133 33.142 -1.009 19217 3814 1 11 . 1 1 7 7 LYS N N 7 121.721 121.721 119.610 2.111 19217 3815 1 11 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.624 -0.342 19217 3816 1 11 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.355 1.225 19217 3817 1 11 . 1 1 7 7 LYS CB C 7 32.989 32.989 34.441 -1.452 19217 3818 1 11 . 1 1 7 7 LYS H H 7 8.449 8.449 8.156 0.293 19217 3819 1 11 . 1 1 8 8 VAL N N 8 121.294 121.294 122.032 -0.738 19217 3820 1 11 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.210 -0.180 19217 3821 1 11 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.260 1.491 19217 3822 1 11 . 1 1 8 8 VAL CB C 8 32.778 32.778 35.283 -2.505 19217 3823 1 11 . 1 1 8 8 VAL H H 8 8.062 8.062 8.494 -0.432 19217 3824 1 11 . 1 1 9 9 LYS N N 9 125.108 125.108 124.254 0.854 19217 3825 1 11 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.042 0.159 19217 3826 1 11 . 1 1 9 9 LYS CA C 9 57.275 57.275 59.195 -1.920 19217 3827 1 11 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.275 0.607 19217 3828 1 11 . 1 1 9 9 LYS H H 9 8.429 8.429 8.749 -0.320 19217 3829 1 11 . 1 1 10 10 LYS N N 10 122.428 122.428 117.268 5.160 19217 3830 1 11 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.353 -0.153 19217 3831 1 11 . 1 1 10 10 LYS CA C 10 57.424 57.424 57.962 -0.538 19217 3832 1 11 . 1 1 10 10 LYS CB C 10 32.908 32.908 32.685 0.223 19217 3833 1 11 . 1 1 10 10 LYS H H 10 8.322 8.322 8.242 0.080 19217 3834 1 11 . 1 1 11 11 HIS N N 11 119.909 119.909 119.517 0.392 19217 3835 1 11 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.362 0.249 19217 3836 1 11 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.780 -1.786 19217 3837 1 11 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.647 -0.038 19217 3838 1 11 . 1 1 11 11 HIS H H 11 8.402 8.402 8.258 0.144 19217 3839 1 11 . 1 1 12 12 ILE N N 12 121.819 121.819 120.208 1.611 19217 3840 1 11 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.670 0.189 19217 3841 1 11 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.406 -2.042 19217 3842 1 11 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.681 0.674 19217 3843 1 11 . 1 1 12 12 ILE H H 12 8.152 8.152 7.857 0.295 19217 3844 1 11 . 1 1 13 13 THR N N 13 116.420 116.420 113.987 2.433 19217 3845 1 11 . 1 1 13 13 THR HA H 13 3.933 3.933 3.999 -0.066 19217 3846 1 11 . 1 1 13 13 THR CA C 13 64.847 64.847 66.171 -1.323 19217 3847 1 11 . 1 1 13 13 THR CB C 13 68.899 68.899 68.465 0.434 19217 3848 1 11 . 1 1 13 13 THR H H 13 8.095 8.095 7.953 0.142 19217 3849 1 11 . 1 1 14 14 SER N N 14 116.367 116.367 117.381 -1.014 19217 3850 1 11 . 1 1 14 14 SER HA H 14 4.230 4.230 4.246 -0.016 19217 3851 1 11 . 1 1 14 14 SER CA C 14 60.111 60.111 61.502 -1.391 19217 3852 1 11 . 1 1 14 14 SER CB C 14 63.317 63.317 62.902 0.415 19217 3853 1 11 . 1 1 14 14 SER H H 14 8.111 8.111 7.827 0.284 19217 3854 1 11 . 1 1 15 15 ALA N N 15 124.756 124.756 124.707 0.049 19217 3855 1 11 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.149 -0.019 19217 3856 1 11 . 1 1 15 15 ALA CA C 15 54.838 54.838 55.083 -0.244 19217 3857 1 11 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.358 0.407 19217 3858 1 11 . 1 1 15 15 ALA H H 15 8.248 8.248 7.839 0.409 19217 3859 1 11 . 1 1 16 16 LEU N N 16 116.067 116.067 119.584 -3.517 19217 3860 1 11 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.251 -0.212 19217 3861 1 11 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.337 -0.462 19217 3862 1 11 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.826 -0.434 19217 3863 1 11 . 1 1 16 16 LEU H H 16 8.188 8.188 7.754 0.434 19217 3864 1 11 . 1 1 17 17 LYS N N 17 119.021 119.021 118.733 0.288 19217 3865 1 11 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.911 -0.082 19217 3866 1 11 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.660 -0.734 19217 3867 1 11 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.036 -0.073 19217 3868 1 11 . 1 1 17 17 LYS H H 17 7.870 7.870 8.086 -0.216 19217 3869 1 11 . 1 1 18 18 LYS N N 18 117.677 117.677 119.402 -1.725 19217 3870 1 11 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.103 0.008 19217 3871 1 11 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.750 -0.046 19217 3872 1 11 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.495 -0.275 19217 3873 1 11 . 1 1 18 18 LYS H H 18 7.598 7.598 7.635 -0.037 19217 3874 1 11 . 1 1 19 19 LEU N N 19 117.430 117.430 121.243 -3.813 19217 3875 1 11 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.956 0.119 19217 3876 1 11 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.856 -0.335 19217 3877 1 11 . 1 1 19 19 LEU CB C 19 41.955 41.955 42.054 -0.099 19217 3878 1 11 . 1 1 19 19 LEU H H 19 7.594 7.594 7.866 -0.272 19217 3879 1 11 . 1 1 20 20 VAL N N 20 118.252 118.252 117.822 0.430 19217 3880 1 11 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.237 0.126 19217 3881 1 11 . 1 1 20 20 VAL CA C 20 66.046 66.046 65.103 0.943 19217 3882 1 11 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.152 0.004 19217 3883 1 11 . 1 1 20 20 VAL H H 20 7.662 7.662 8.059 -0.397 19217 3884 1 11 . 1 1 21 21 ASP N N 21 119.557 119.557 119.147 0.410 19217 3885 1 11 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.467 0.003 19217 3886 1 11 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.268 0.378 19217 3887 1 11 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.908 0.007 19217 3888 1 11 . 1 1 21 21 ASP H H 21 7.645 7.645 7.647 -0.002 19217 3889 1 11 . 1 1 22 22 LYS N N 22 117.493 117.493 118.398 -0.905 19217 3890 1 11 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.478 0.077 19217 3891 1 11 . 1 1 22 22 LYS CA C 22 56.271 56.271 54.934 1.337 19217 3892 1 11 . 1 1 22 22 LYS CB C 22 33.805 33.805 32.073 1.732 19217 3893 1 11 . 1 1 22 22 LYS H H 22 7.782 7.782 7.562 0.220 19217 3894 1 11 . 1 1 23 23 TYR N N 23 121.877 121.877 121.564 0.313 19217 3895 1 11 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.106 -0.407 19217 3896 1 11 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.420 0.956 19217 3897 1 11 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.922 1.410 19217 3898 1 11 . 1 1 23 23 TYR H H 23 7.738 7.738 7.293 0.445 19217 3899 1 11 . 1 1 24 24 ARG N N 24 111.739 111.739 116.839 -5.100 19217 3900 1 11 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.365 -0.223 19217 3901 1 11 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.898 0.976 19217 3902 1 11 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.443 0.356 19217 3903 1 11 . 1 1 24 24 ARG H H 24 8.577 8.577 8.622 -0.045 19217 3904 1 11 . 1 1 25 25 ASN N N 25 113.359 113.359 117.159 -3.800 19217 3905 1 11 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.766 0.255 19217 3906 1 11 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.693 -1.378 19217 3907 1 11 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.657 0.217 19217 3908 1 11 . 1 1 25 25 ASN H H 25 7.711 7.711 7.698 0.013 19217 3909 1 11 . 1 1 26 26 ASP N N 26 120.181 120.181 120.219 -0.038 19217 3910 1 11 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.895 0.036 19217 3911 1 11 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.451 0.145 19217 3912 1 11 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.773 -0.138 19217 3913 1 11 . 1 1 26 26 ASP H H 26 7.424 7.424 7.923 -0.499 19217 3914 1 11 . 1 1 27 27 GLU N N 27 126.678 126.678 125.246 1.432 19217 3915 1 11 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.989 -0.187 19217 3916 1 11 . 1 1 27 27 GLU CA C 27 59.190 59.190 58.257 0.933 19217 3917 1 11 . 1 1 27 27 GLU CB C 27 29.759 29.759 28.963 0.796 19217 3918 1 11 . 1 1 27 27 GLU H H 27 9.073 9.073 8.865 0.208 19217 3919 1 11 . 1 1 28 28 HIS N N 28 118.927 118.927 119.592 -0.665 19217 3920 1 11 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.282 0.129 19217 3921 1 11 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.160 0.617 19217 3922 1 11 . 1 1 28 28 HIS CB C 28 27.817 27.817 30.091 -2.274 19217 3923 1 11 . 1 1 28 28 HIS H H 28 8.585 8.585 7.597 0.988 19217 3924 1 11 . 1 1 29 29 VAL N N 29 120.860 120.860 119.308 1.552 19217 3925 1 11 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.705 -0.265 19217 3926 1 11 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.137 1.540 19217 3927 1 11 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.671 -0.167 19217 3928 1 11 . 1 1 29 29 VAL H H 29 7.811 7.811 7.928 -0.117 19217 3929 1 11 . 1 1 30 30 ARG N N 30 119.042 119.042 118.342 0.700 19217 3930 1 11 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.419 0.457 19217 3931 1 11 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.763 0.511 19217 3932 1 11 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.424 0.631 19217 3933 1 11 . 1 1 30 30 ARG H H 30 7.919 7.919 7.620 0.299 19217 3934 1 11 . 1 1 31 31 LYS N N 31 116.630 116.630 118.494 -1.864 19217 3935 1 11 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.147 -0.021 19217 3936 1 11 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.207 0.378 19217 3937 1 11 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.772 0.691 19217 3938 1 11 . 1 1 31 31 LYS H H 31 7.583 7.583 7.691 -0.108 19217 3939 1 11 . 1 1 32 32 VAL N N 32 118.507 118.507 120.578 -2.071 19217 3940 1 11 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.802 -0.017 19217 3941 1 11 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.178 -0.079 19217 3942 1 11 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.985 0.284 19217 3943 1 11 . 1 1 32 32 VAL H H 32 7.576 7.576 7.250 0.326 19217 3944 1 11 . 1 1 33 33 PHE N N 33 120.874 120.874 119.970 0.904 19217 3945 1 11 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.252 0.024 19217 3946 1 11 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.718 -0.203 19217 3947 1 11 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.203 0.150 19217 3948 1 11 . 1 1 33 33 PHE H H 33 9.246 9.246 9.108 0.138 19217 3949 1 11 . 1 1 34 34 ASP N N 34 119.331 119.331 120.804 -1.473 19217 3950 1 11 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.466 0.062 19217 3951 1 11 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.939 0.669 19217 3952 1 11 . 1 1 34 34 ASP CB C 34 39.921 39.921 41.142 -1.221 19217 3953 1 11 . 1 1 34 34 ASP H H 34 9.507 9.507 8.292 1.215 19217 3954 1 11 . 1 1 35 35 GLU N N 35 118.378 118.378 119.055 -0.677 19217 3955 1 11 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.102 0.099 19217 3956 1 11 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.270 0.452 19217 3957 1 11 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.695 -0.136 19217 3958 1 11 . 1 1 35 35 GLU H H 35 7.334 7.334 7.591 -0.257 19217 3959 1 11 . 1 1 36 36 ILE N N 36 119.241 119.241 120.903 -1.662 19217 3960 1 11 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.564 -0.121 19217 3961 1 11 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.424 1.337 19217 3962 1 11 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.645 0.807 19217 3963 1 11 . 1 1 36 36 ILE H H 36 8.054 8.054 7.629 0.425 19217 3964 1 11 . 1 1 37 37 GLN N N 37 117.541 117.541 118.814 -1.273 19217 3965 1 11 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.894 0.511 19217 3966 1 11 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.183 0.833 19217 3967 1 11 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.715 -0.332 19217 3968 1 11 . 1 1 37 37 GLN H H 37 8.517 8.517 8.372 0.145 19217 3969 1 11 . 1 1 38 38 GLN N N 38 113.900 113.900 118.309 -4.409 19217 3970 1 11 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.137 0.107 19217 3971 1 11 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.322 0.200 19217 3972 1 11 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.734 1.461 19217 3973 1 11 . 1 1 38 38 GLN H H 38 8.023 8.023 7.702 0.321 19217 3974 1 11 . 1 1 39 39 LYS N N 39 117.850 117.850 119.900 -2.050 19217 3975 1 11 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.908 0.248 19217 3976 1 11 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.067 -0.184 19217 3977 1 11 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.063 0.856 19217 3978 1 11 . 1 1 39 39 LYS H H 39 8.480 8.480 8.291 0.189 19217 3979 1 11 . 1 1 40 40 LEU N N 40 114.726 114.726 116.128 -1.402 19217 3980 1 11 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.345 -0.162 19217 3981 1 11 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.570 -0.340 19217 3982 1 11 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.616 -0.827 19217 3983 1 11 . 1 1 40 40 LEU H H 40 8.427 8.427 7.937 0.490 19217 3984 1 11 . 1 1 41 41 HIS N N 41 115.299 115.299 113.922 1.377 19217 3985 1 11 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.278 -0.833 19217 3986 1 11 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.301 -2.578 19217 3987 1 11 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.845 -0.627 19217 3988 1 11 . 1 1 41 41 HIS H H 41 7.466 7.466 7.314 0.152 19217 3989 1 11 . 1 1 42 42 CYS N N 42 116.999 116.999 111.023 5.976 19217 3990 1 11 . 1 1 42 42 CYS HA H 42 5.064 5.064 5.319 -0.255 19217 3991 1 11 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.325 -2.492 19217 3992 1 11 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.436 16.342 19217 3993 1 11 . 1 1 42 42 CYS H H 42 8.205 8.205 7.958 0.247 19217 3994 1 11 . 1 1 43 43 CYS N N 43 117.175 117.175 120.307 -3.132 19217 3995 1 11 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.234 -0.092 19217 3996 1 11 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.488 -4.047 19217 3997 1 11 . 1 1 43 43 CYS CB C 43 42.928 42.928 30.116 12.812 19217 3998 1 11 . 1 1 43 43 CYS H H 43 9.131 9.131 8.314 0.817 19217 3999 1 11 . 1 1 44 44 GLY N N 44 113.879 113.879 112.835 1.044 19217 4000 1 11 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.779 -2.229 19217 4001 1 11 . 1 1 44 44 GLY H H 44 8.913 8.913 8.847 0.066 19217 4002 1 11 . 1 1 45 45 ALA N N 45 122.305 122.305 122.598 -0.293 19217 4003 1 11 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.281 0.243 19217 4004 1 11 . 1 1 45 45 ALA CA C 45 53.824 53.824 54.897 -1.073 19217 4005 1 11 . 1 1 45 45 ALA CB C 45 18.722 18.722 20.117 -1.395 19217 4006 1 11 . 1 1 45 45 ALA H H 45 9.057 9.057 8.219 0.838 19217 4007 1 11 . 1 1 46 46 ASP N N 46 119.678 119.678 114.917 4.761 19217 4008 1 11 . 1 1 46 46 ASP HA H 46 4.613 4.613 5.006 -0.393 19217 4009 1 11 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.308 2.789 19217 4010 1 11 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.910 -1.432 19217 4011 1 11 . 1 1 46 46 ASP H H 46 9.741 9.741 8.014 1.727 19217 4012 1 11 . 1 1 47 47 SER N N 47 112.389 112.389 113.222 -0.833 19217 4013 1 11 . 1 1 47 47 SER HA H 47 4.654 4.654 4.933 -0.279 19217 4014 1 11 . 1 1 47 47 SER CA C 47 57.626 57.626 56.818 0.808 19217 4015 1 11 . 1 1 47 47 SER CB C 47 64.037 64.037 64.801 -0.764 19217 4016 1 11 . 1 1 47 47 SER H H 47 7.798 7.798 7.910 -0.112 19217 4017 1 11 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.468 -0.323 19217 4018 1 11 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.351 0.779 19217 4019 1 11 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.129 0.218 19217 4020 1 11 . 1 1 49 49 LYS N N 49 115.074 115.074 117.342 -2.268 19217 4021 1 11 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.122 0.095 19217 4022 1 11 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.171 -0.872 19217 4023 1 11 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.327 -0.414 19217 4024 1 11 . 1 1 49 49 LYS H H 49 8.151 8.151 8.145 0.006 19217 4025 1 11 . 1 1 50 50 ASP N N 50 122.818 122.818 119.016 3.802 19217 4026 1 11 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.273 0.039 19217 4027 1 11 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.759 0.490 19217 4028 1 11 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.339 1.142 19217 4029 1 11 . 1 1 50 50 ASP H H 50 8.149 8.149 7.728 0.421 19217 4030 1 11 . 1 1 51 51 TYR N N 51 114.312 114.312 117.041 -2.729 19217 4031 1 11 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.365 0.011 19217 4032 1 11 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.261 -0.425 19217 4033 1 11 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.483 -0.579 19217 4034 1 11 . 1 1 51 51 TYR H H 51 7.260 7.260 7.338 -0.078 19217 4035 1 11 . 1 1 52 52 GLY N N 52 109.793 109.793 107.099 2.694 19217 4036 1 11 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.666 0.173 19217 4037 1 11 . 1 1 52 52 GLY H H 52 7.967 7.967 7.657 0.310 19217 4038 1 11 . 1 1 53 53 GLU N N 53 123.571 123.571 122.845 0.726 19217 4039 1 11 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.572 -0.370 19217 4040 1 11 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.330 0.775 19217 4041 1 11 . 1 1 53 53 GLU CB C 53 30.020 30.020 30.243 -0.223 19217 4042 1 11 . 1 1 53 53 GLU H H 53 8.788 8.788 8.798 -0.010 19217 4043 1 11 . 1 1 54 54 ASN N N 54 115.160 115.160 119.776 -4.616 19217 4044 1 11 . 1 1 54 54 ASN HA H 54 5.222 5.222 5.090 0.132 19217 4045 1 11 . 1 1 54 54 ASN CA C 54 50.964 50.964 50.837 0.127 19217 4046 1 11 . 1 1 54 54 ASN CB C 54 40.400 40.400 38.600 1.800 19217 4047 1 11 . 1 1 54 54 ASN H H 54 7.853 7.853 8.191 -0.338 19217 4048 1 11 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.338 -0.293 19217 4049 1 11 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.620 -0.333 19217 4050 1 11 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.429 -0.758 19217 4051 1 11 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.323 0.210 19217 4052 1 11 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.106 -0.412 19217 4053 1 11 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.195 1.262 19217 4054 1 11 . 1 1 57 57 THR N N 57 116.449 116.449 115.218 1.231 19217 4055 1 11 . 1 1 57 57 THR HA H 57 3.832 3.832 4.011 -0.179 19217 4056 1 11 . 1 1 57 57 THR CA C 57 65.318 65.318 64.692 0.626 19217 4057 1 11 . 1 1 57 57 THR CB C 57 68.433 68.433 68.543 -0.110 19217 4058 1 11 . 1 1 57 57 THR H H 57 8.894 8.894 8.745 0.149 19217 4059 1 11 . 1 1 58 58 SER N N 58 113.767 113.767 116.696 -2.929 19217 4060 1 11 . 1 1 58 58 SER HA H 58 4.409 4.409 4.505 -0.096 19217 4061 1 11 . 1 1 58 58 SER CA C 58 59.123 59.123 60.755 -1.632 19217 4062 1 11 . 1 1 58 58 SER CB C 58 62.669 62.669 62.308 0.361 19217 4063 1 11 . 1 1 58 58 SER H H 58 7.839 7.839 8.226 -0.387 19217 4064 1 11 . 1 1 59 59 CYS N N 59 117.062 117.062 122.081 -5.019 19217 4065 1 11 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.653 0.129 19217 4066 1 11 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.426 1.486 19217 4067 1 11 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.619 19.198 19217 4068 1 11 . 1 1 59 59 CYS H H 59 7.397 7.397 7.718 -0.321 19217 4069 1 11 . 1 1 60 60 SER N N 60 112.368 112.368 111.999 0.369 19217 4070 1 11 . 1 1 60 60 SER HA H 60 4.258 4.258 4.616 -0.358 19217 4071 1 11 . 1 1 60 60 SER CA C 60 56.925 56.925 56.338 0.587 19217 4072 1 11 . 1 1 60 60 SER CB C 60 67.049 67.049 66.070 0.979 19217 4073 1 11 . 1 1 60 60 SER H H 60 7.486 7.486 7.173 0.313 19217 4074 1 11 . 1 1 61 61 LYS N N 61 120.402 120.402 122.469 -2.067 19217 4075 1 11 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.568 -0.177 19217 4076 1 11 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.324 -1.007 19217 4077 1 11 . 1 1 61 61 LYS CB C 61 35.944 35.944 35.255 0.689 19217 4078 1 11 . 1 1 61 61 LYS H H 61 7.918 7.918 8.387 -0.469 19217 4079 1 11 . 1 1 62 62 ASP N N 62 128.253 128.253 124.567 3.686 19217 4080 1 11 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.355 -0.075 19217 4081 1 11 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.105 0.594 19217 4082 1 11 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.137 -0.615 19217 4083 1 11 . 1 1 62 62 ASP H H 62 9.517 9.517 8.942 0.575 19217 4084 1 11 . 1 1 63 63 GLY N N 63 103.421 103.421 104.811 -1.390 19217 4085 1 11 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.306 -0.104 19217 4086 1 11 . 1 1 63 63 GLY H H 63 8.597 8.597 8.398 0.199 19217 4087 1 11 . 1 1 64 64 VAL N N 64 122.304 122.304 118.963 3.341 19217 4088 1 11 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.288 -0.229 19217 4089 1 11 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.470 1.172 19217 4090 1 11 . 1 1 64 64 VAL CB C 64 33.283 33.283 34.595 -1.312 19217 4091 1 11 . 1 1 64 64 VAL H H 64 7.630 7.630 7.183 0.447 19217 4092 1 11 . 1 1 65 65 GLN N N 65 126.376 126.376 124.169 2.207 19217 4093 1 11 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.241 -0.118 19217 4094 1 11 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.198 0.786 19217 4095 1 11 . 1 1 65 65 GLN CB C 65 30.137 30.137 31.089 -0.952 19217 4096 1 11 . 1 1 65 65 GLN H H 65 8.366 8.366 8.474 -0.108 19217 4097 1 11 . 1 1 66 66 PHE N N 66 126.770 126.770 125.345 1.425 19217 4098 1 11 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.593 0.332 19217 4099 1 11 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.530 -1.088 19217 4100 1 11 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.200 -0.608 19217 4101 1 11 . 1 1 66 66 PHE H H 66 8.606 8.606 8.144 0.462 19217 4102 1 11 . 1 1 67 67 THR N N 67 110.796 110.796 113.573 -2.777 19217 4103 1 11 . 1 1 67 67 THR HA H 67 4.378 4.378 4.413 -0.035 19217 4104 1 11 . 1 1 67 67 THR CA C 67 62.290 62.290 61.549 0.741 19217 4105 1 11 . 1 1 67 67 THR CB C 67 69.730 69.730 68.985 0.745 19217 4106 1 11 . 1 1 67 67 THR H H 67 8.105 8.105 8.425 -0.320 19217 4107 1 11 . 1 1 68 68 GLU N N 68 122.415 122.415 119.738 2.677 19217 4108 1 11 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.613 0.023 19217 4109 1 11 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.274 0.995 19217 4110 1 11 . 1 1 68 68 GLU CB C 68 32.089 32.089 32.346 -0.257 19217 4111 1 11 . 1 1 68 68 GLU H H 68 8.171 8.171 7.810 0.361 19217 4112 1 11 . 1 1 69 69 GLY N N 69 109.155 109.155 108.249 0.906 19217 4113 1 11 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.850 -0.489 19217 4114 1 11 . 1 1 69 69 GLY H H 69 8.870 8.870 8.635 0.235 19217 4115 1 11 . 1 1 70 70 CYS N N 70 116.376 116.376 118.328 -1.952 19217 4116 1 11 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.682 -0.237 19217 4117 1 11 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.932 -3.483 19217 4118 1 11 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.713 13.078 19217 4119 1 11 . 1 1 70 70 CYS H H 70 8.335 8.335 8.031 0.304 19217 4120 1 11 . 1 1 71 71 ILE N N 71 121.812 121.812 121.009 0.803 19217 4121 1 11 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.603 -0.084 19217 4122 1 11 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.127 0.680 19217 4123 1 11 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.510 -0.684 19217 4124 1 11 . 1 1 71 71 ILE H H 71 9.129 9.129 8.473 0.656 19217 4125 1 11 . 1 1 72 72 LYS N N 72 121.424 121.424 118.503 2.921 19217 4126 1 11 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.173 -0.158 19217 4127 1 11 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.041 0.162 19217 4128 1 11 . 1 1 72 72 LYS CB C 72 32.083 32.083 31.940 0.143 19217 4129 1 11 . 1 1 72 72 LYS H H 72 8.179 8.179 8.401 -0.222 19217 4130 1 11 . 1 1 73 73 LYS N N 73 115.131 115.131 120.177 -5.046 19217 4131 1 11 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.172 0.011 19217 4132 1 11 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.022 -1.280 19217 4133 1 11 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.144 0.038 19217 4134 1 11 . 1 1 73 73 LYS H H 73 7.287 7.287 7.248 0.039 19217 4135 1 11 . 1 1 74 74 VAL N N 74 117.637 117.637 116.490 1.147 19217 4136 1 11 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.688 -0.056 19217 4137 1 11 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.075 -0.136 19217 4138 1 11 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.768 0.664 19217 4139 1 11 . 1 1 74 74 VAL H H 74 8.398 8.398 8.437 -0.039 19217 4140 1 11 . 1 1 75 75 SER N N 75 117.090 117.090 115.502 1.588 19217 4141 1 11 . 1 1 75 75 SER HA H 75 4.144 4.144 4.123 0.021 19217 4142 1 11 . 1 1 75 75 SER CA C 75 61.816 61.816 61.322 0.495 19217 4143 1 11 . 1 1 75 75 SER CB C 75 62.840 62.840 62.709 0.132 19217 4144 1 11 . 1 1 75 75 SER H H 75 8.249 8.249 7.722 0.527 19217 4145 1 11 . 1 1 76 76 ASP N N 76 121.102 121.102 122.746 -1.644 19217 4146 1 11 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.327 0.149 19217 4147 1 11 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.300 -0.883 19217 4148 1 11 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.981 -0.545 19217 4149 1 11 . 1 1 76 76 ASP H H 76 8.240 8.240 7.624 0.616 19217 4150 1 11 . 1 1 77 77 LEU N N 77 119.967 119.967 115.803 4.164 19217 4151 1 11 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.271 -0.060 19217 4152 1 11 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.568 -0.908 19217 4153 1 11 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.587 0.629 19217 4154 1 11 . 1 1 77 77 LEU H H 77 7.728 7.728 7.645 0.083 19217 4155 1 11 . 1 1 78 78 SER N N 78 113.729 113.729 117.157 -3.428 19217 4156 1 11 . 1 1 78 78 SER HA H 78 4.379 4.379 4.257 0.122 19217 4157 1 11 . 1 1 78 78 SER CA C 78 59.286 59.286 61.035 -1.749 19217 4158 1 11 . 1 1 78 78 SER CB C 78 63.761 63.761 63.361 0.401 19217 4159 1 11 . 1 1 78 78 SER H H 78 7.873 7.873 7.828 0.045 19217 4160 1 11 . 1 1 79 79 LYS N N 79 121.616 121.616 119.980 1.636 19217 4161 1 11 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.424 -0.136 19217 4162 1 11 . 1 1 79 79 LYS CA C 79 56.416 56.416 55.041 1.375 19217 4163 1 11 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.557 0.285 19217 4164 1 11 . 1 1 79 79 LYS H H 79 7.741 7.741 7.777 -0.036 19217 4165 1 11 . 1 1 80 80 ALA N N 80 124.562 124.562 122.458 2.104 19217 4166 1 11 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.222 0.052 19217 4167 1 11 . 1 1 80 80 ALA CA C 80 52.613 52.613 53.286 -0.673 19217 4168 1 11 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.564 -0.294 19217 4169 1 11 . 1 1 80 80 ALA H H 80 8.044 8.044 7.191 0.853 19217 4170 1 12 . 1 1 2 2 SER N N 2 115.654 115.654 115.328 0.326 19217 4171 1 12 . 1 1 2 2 SER HA H 2 4.496 4.496 4.618 -0.122 19217 4172 1 12 . 1 1 2 2 SER CA C 2 58.438 58.438 58.207 0.231 19217 4173 1 12 . 1 1 2 2 SER CB C 2 63.859 63.859 65.392 -1.533 19217 4174 1 12 . 1 1 2 2 SER H H 2 8.716 8.716 8.009 0.707 19217 4175 1 12 . 1 1 3 3 ASN N N 3 120.885 120.885 121.376 -0.491 19217 4176 1 12 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.910 -0.182 19217 4177 1 12 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.586 -0.267 19217 4178 1 12 . 1 1 3 3 ASN CB C 3 38.647 38.647 38.861 -0.214 19217 4179 1 12 . 1 1 3 3 ASN H H 3 8.703 8.703 8.706 -0.003 19217 4180 1 12 . 1 1 4 4 GLU N N 4 120.920 120.920 120.117 0.803 19217 4181 1 12 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.455 -0.183 19217 4182 1 12 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.058 0.376 19217 4183 1 12 . 1 1 4 4 GLU CB C 4 30.469 30.469 30.003 0.466 19217 4184 1 12 . 1 1 4 4 GLU H H 4 8.261 8.261 8.585 -0.324 19217 4185 1 12 . 1 1 5 5 LYS N N 5 124.113 124.113 122.899 1.214 19217 4186 1 12 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.394 0.154 19217 4187 1 12 . 1 1 5 5 LYS CA C 5 54.630 54.630 55.289 -0.659 19217 4188 1 12 . 1 1 5 5 LYS CB C 5 32.094 32.094 31.895 0.199 19217 4189 1 12 . 1 1 5 5 LYS H H 5 8.452 8.452 8.342 0.110 19217 4190 1 12 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.516 -0.134 19217 4191 1 12 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.638 0.729 19217 4192 1 12 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.551 -0.418 19217 4193 1 12 . 1 1 7 7 LYS N N 7 121.721 121.721 120.731 0.990 19217 4194 1 12 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.585 -0.303 19217 4195 1 12 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.581 0.999 19217 4196 1 12 . 1 1 7 7 LYS CB C 7 32.989 32.989 33.458 -0.469 19217 4197 1 12 . 1 1 7 7 LYS H H 7 8.449 8.449 8.203 0.246 19217 4198 1 12 . 1 1 8 8 VAL N N 8 121.294 121.294 124.286 -2.992 19217 4199 1 12 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.312 -0.282 19217 4200 1 12 . 1 1 8 8 VAL CA C 8 62.751 62.751 60.427 2.324 19217 4201 1 12 . 1 1 8 8 VAL CB C 8 32.778 32.778 35.276 -2.498 19217 4202 1 12 . 1 1 8 8 VAL H H 8 8.062 8.062 8.486 -0.424 19217 4203 1 12 . 1 1 9 9 LYS N N 9 125.108 125.108 124.125 0.983 19217 4204 1 12 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.279 -0.078 19217 4205 1 12 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.431 -1.156 19217 4206 1 12 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.129 0.753 19217 4207 1 12 . 1 1 9 9 LYS H H 9 8.429 8.429 8.774 -0.345 19217 4208 1 12 . 1 1 10 10 LYS N N 10 122.428 122.428 118.432 3.996 19217 4209 1 12 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.381 -0.181 19217 4210 1 12 . 1 1 10 10 LYS CA C 10 57.424 57.424 55.853 1.571 19217 4211 1 12 . 1 1 10 10 LYS CB C 10 32.908 32.908 30.591 2.317 19217 4212 1 12 . 1 1 10 10 LYS H H 10 8.322 8.322 8.551 -0.229 19217 4213 1 12 . 1 1 11 11 HIS N N 11 119.909 119.909 117.989 1.920 19217 4214 1 12 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.401 0.210 19217 4215 1 12 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.783 -1.789 19217 4216 1 12 . 1 1 11 11 HIS CB C 11 29.609 29.609 28.861 0.748 19217 4217 1 12 . 1 1 11 11 HIS H H 11 8.402 8.402 8.137 0.265 19217 4218 1 12 . 1 1 12 12 ILE N N 12 121.819 121.819 120.196 1.623 19217 4219 1 12 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.454 0.405 19217 4220 1 12 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.282 -0.917 19217 4221 1 12 . 1 1 12 12 ILE CB C 12 38.355 38.355 36.966 1.389 19217 4222 1 12 . 1 1 12 12 ILE H H 12 8.152 8.152 7.259 0.893 19217 4223 1 12 . 1 1 13 13 THR N N 13 116.420 116.420 114.227 2.193 19217 4224 1 12 . 1 1 13 13 THR HA H 13 3.933 3.933 3.980 -0.047 19217 4225 1 12 . 1 1 13 13 THR CA C 13 64.847 64.847 66.822 -1.975 19217 4226 1 12 . 1 1 13 13 THR CB C 13 68.899 68.899 68.474 0.425 19217 4227 1 12 . 1 1 13 13 THR H H 13 8.095 8.095 7.870 0.225 19217 4228 1 12 . 1 1 14 14 SER N N 14 116.367 116.367 117.563 -1.196 19217 4229 1 12 . 1 1 14 14 SER HA H 14 4.230 4.230 4.262 -0.032 19217 4230 1 12 . 1 1 14 14 SER CA C 14 60.111 60.111 61.121 -1.010 19217 4231 1 12 . 1 1 14 14 SER CB C 14 63.317 63.317 63.157 0.160 19217 4232 1 12 . 1 1 14 14 SER H H 14 8.111 8.111 7.971 0.140 19217 4233 1 12 . 1 1 15 15 ALA N N 15 124.756 124.756 124.904 -0.148 19217 4234 1 12 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.143 -0.013 19217 4235 1 12 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.772 0.067 19217 4236 1 12 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.393 0.372 19217 4237 1 12 . 1 1 15 15 ALA H H 15 8.248 8.248 7.662 0.586 19217 4238 1 12 . 1 1 16 16 LEU N N 16 116.067 116.067 119.639 -3.572 19217 4239 1 12 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.152 -0.113 19217 4240 1 12 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.266 -0.391 19217 4241 1 12 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.927 -0.535 19217 4242 1 12 . 1 1 16 16 LEU H H 16 8.188 8.188 8.130 0.058 19217 4243 1 12 . 1 1 17 17 LYS N N 17 119.021 119.021 118.765 0.256 19217 4244 1 12 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.927 -0.098 19217 4245 1 12 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.890 -0.964 19217 4246 1 12 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.100 -0.137 19217 4247 1 12 . 1 1 17 17 LYS H H 17 7.870 7.870 7.747 0.123 19217 4248 1 12 . 1 1 18 18 LYS N N 18 117.677 117.677 119.773 -2.096 19217 4249 1 12 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.114 -0.003 19217 4250 1 12 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.633 0.070 19217 4251 1 12 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.259 -0.039 19217 4252 1 12 . 1 1 18 18 LYS H H 18 7.598 7.598 7.548 0.050 19217 4253 1 12 . 1 1 19 19 LEU N N 19 117.430 117.430 120.917 -3.487 19217 4254 1 12 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.913 0.162 19217 4255 1 12 . 1 1 19 19 LEU CA C 19 57.521 57.521 58.078 -0.557 19217 4256 1 12 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.818 0.137 19217 4257 1 12 . 1 1 19 19 LEU H H 19 7.594 7.594 7.977 -0.383 19217 4258 1 12 . 1 1 20 20 VAL N N 20 118.252 118.252 116.376 1.876 19217 4259 1 12 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.225 0.138 19217 4260 1 12 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.774 1.272 19217 4261 1 12 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.588 -0.432 19217 4262 1 12 . 1 1 20 20 VAL H H 20 7.662 7.662 7.788 -0.126 19217 4263 1 12 . 1 1 21 21 ASP N N 21 119.557 119.557 119.469 0.088 19217 4264 1 12 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.445 0.025 19217 4265 1 12 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.366 0.280 19217 4266 1 12 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.738 0.177 19217 4267 1 12 . 1 1 21 21 ASP H H 21 7.645 7.645 7.513 0.132 19217 4268 1 12 . 1 1 22 22 LYS N N 22 117.493 117.493 118.966 -1.473 19217 4269 1 12 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.475 0.080 19217 4270 1 12 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.245 1.026 19217 4271 1 12 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.768 2.037 19217 4272 1 12 . 1 1 22 22 LYS H H 22 7.782 7.782 7.944 -0.162 19217 4273 1 12 . 1 1 23 23 TYR N N 23 121.877 121.877 121.579 0.298 19217 4274 1 12 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.119 -0.420 19217 4275 1 12 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.395 0.981 19217 4276 1 12 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.990 1.342 19217 4277 1 12 . 1 1 23 23 TYR H H 23 7.738 7.738 7.266 0.472 19217 4278 1 12 . 1 1 24 24 ARG N N 24 111.739 111.739 116.825 -5.086 19217 4279 1 12 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.382 -0.240 19217 4280 1 12 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.871 1.003 19217 4281 1 12 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.466 0.333 19217 4282 1 12 . 1 1 24 24 ARG H H 24 8.577 8.577 8.617 -0.040 19217 4283 1 12 . 1 1 25 25 ASN N N 25 113.359 113.359 117.122 -3.763 19217 4284 1 12 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.756 0.264 19217 4285 1 12 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.437 -1.122 19217 4286 1 12 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.504 0.370 19217 4287 1 12 . 1 1 25 25 ASN H H 25 7.711 7.711 7.661 0.050 19217 4288 1 12 . 1 1 26 26 ASP N N 26 120.181 120.181 120.195 -0.014 19217 4289 1 12 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.855 0.076 19217 4290 1 12 . 1 1 26 26 ASP CA C 26 53.596 53.596 52.654 0.942 19217 4291 1 12 . 1 1 26 26 ASP CB C 26 43.635 43.635 42.985 0.650 19217 4292 1 12 . 1 1 26 26 ASP H H 26 7.424 7.424 7.855 -0.431 19217 4293 1 12 . 1 1 27 27 GLU N N 27 126.678 126.678 126.495 0.183 19217 4294 1 12 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.954 -0.152 19217 4295 1 12 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.269 -0.079 19217 4296 1 12 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.150 0.609 19217 4297 1 12 . 1 1 27 27 GLU H H 27 9.073 9.073 8.919 0.154 19217 4298 1 12 . 1 1 28 28 HIS N N 28 118.927 118.927 118.905 0.022 19217 4299 1 12 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.332 0.079 19217 4300 1 12 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.252 0.525 19217 4301 1 12 . 1 1 28 28 HIS CB C 28 27.817 27.817 30.076 -2.259 19217 4302 1 12 . 1 1 28 28 HIS H H 28 8.585 8.585 8.043 0.542 19217 4303 1 12 . 1 1 29 29 VAL N N 29 120.860 120.860 119.440 1.420 19217 4304 1 12 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.798 -0.358 19217 4305 1 12 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.230 1.447 19217 4306 1 12 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.085 0.419 19217 4307 1 12 . 1 1 29 29 VAL H H 29 7.811 7.811 7.554 0.257 19217 4308 1 12 . 1 1 30 30 ARG N N 30 119.042 119.042 120.061 -1.019 19217 4309 1 12 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.537 0.339 19217 4310 1 12 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.792 0.481 19217 4311 1 12 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.312 0.743 19217 4312 1 12 . 1 1 30 30 ARG H H 30 7.919 7.919 7.344 0.575 19217 4313 1 12 . 1 1 31 31 LYS N N 31 116.630 116.630 119.045 -2.415 19217 4314 1 12 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.069 0.057 19217 4315 1 12 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.399 0.186 19217 4316 1 12 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.809 0.654 19217 4317 1 12 . 1 1 31 31 LYS H H 31 7.583 7.583 7.530 0.053 19217 4318 1 12 . 1 1 32 32 VAL N N 32 118.507 118.507 120.885 -2.378 19217 4319 1 12 . 1 1 32 32 VAL HA H 32 3.785 3.785 4.037 -0.252 19217 4320 1 12 . 1 1 32 32 VAL CA C 32 66.099 66.099 65.875 0.224 19217 4321 1 12 . 1 1 32 32 VAL CB C 32 32.270 32.270 32.067 0.203 19217 4322 1 12 . 1 1 32 32 VAL H H 32 7.576 7.576 7.318 0.258 19217 4323 1 12 . 1 1 33 33 PHE N N 33 120.874 120.874 119.698 1.176 19217 4324 1 12 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.225 0.051 19217 4325 1 12 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.080 0.435 19217 4326 1 12 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.272 0.081 19217 4327 1 12 . 1 1 33 33 PHE H H 33 9.246 9.246 8.749 0.497 19217 4328 1 12 . 1 1 34 34 ASP N N 34 119.331 119.331 120.963 -1.632 19217 4329 1 12 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.425 0.103 19217 4330 1 12 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.774 0.834 19217 4331 1 12 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.975 -1.054 19217 4332 1 12 . 1 1 34 34 ASP H H 34 9.507 9.507 8.643 0.864 19217 4333 1 12 . 1 1 35 35 GLU N N 35 118.378 118.378 119.315 -0.937 19217 4334 1 12 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.090 0.111 19217 4335 1 12 . 1 1 35 35 GLU CA C 35 59.722 59.722 58.864 0.858 19217 4336 1 12 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.288 0.271 19217 4337 1 12 . 1 1 35 35 GLU H H 35 7.334 7.334 7.629 -0.295 19217 4338 1 12 . 1 1 36 36 ILE N N 36 119.241 119.241 121.393 -2.152 19217 4339 1 12 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.568 -0.125 19217 4340 1 12 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.038 1.723 19217 4341 1 12 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.565 0.887 19217 4342 1 12 . 1 1 36 36 ILE H H 36 8.054 8.054 7.562 0.492 19217 4343 1 12 . 1 1 37 37 GLN N N 37 117.541 117.541 118.875 -1.334 19217 4344 1 12 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.896 0.509 19217 4345 1 12 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.142 0.874 19217 4346 1 12 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.685 -0.302 19217 4347 1 12 . 1 1 37 37 GLN H H 37 8.517 8.517 8.223 0.294 19217 4348 1 12 . 1 1 38 38 GLN N N 38 113.900 113.900 118.370 -4.470 19217 4349 1 12 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.135 0.109 19217 4350 1 12 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.364 0.158 19217 4351 1 12 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.717 1.478 19217 4352 1 12 . 1 1 38 38 GLN H H 38 8.023 8.023 7.745 0.278 19217 4353 1 12 . 1 1 39 39 LYS N N 39 117.850 117.850 119.747 -1.897 19217 4354 1 12 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.900 0.256 19217 4355 1 12 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.035 -0.152 19217 4356 1 12 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.029 0.890 19217 4357 1 12 . 1 1 39 39 LYS H H 39 8.480 8.480 8.220 0.260 19217 4358 1 12 . 1 1 40 40 LEU N N 40 114.726 114.726 115.657 -0.931 19217 4359 1 12 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.368 -0.185 19217 4360 1 12 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.624 -0.394 19217 4361 1 12 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.660 -0.870 19217 4362 1 12 . 1 1 40 40 LEU H H 40 8.427 8.427 7.858 0.569 19217 4363 1 12 . 1 1 41 41 HIS N N 41 115.299 115.299 114.457 0.842 19217 4364 1 12 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.266 -0.821 19217 4365 1 12 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.338 -2.615 19217 4366 1 12 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.811 -0.593 19217 4367 1 12 . 1 1 41 41 HIS H H 41 7.466 7.466 7.389 0.077 19217 4368 1 12 . 1 1 42 42 CYS N N 42 116.999 116.999 110.894 6.105 19217 4369 1 12 . 1 1 42 42 CYS HA H 42 5.064 5.064 5.219 -0.155 19217 4370 1 12 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.437 -2.604 19217 4371 1 12 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.345 16.433 19217 4372 1 12 . 1 1 42 42 CYS H H 42 8.205 8.205 7.963 0.242 19217 4373 1 12 . 1 1 43 43 CYS N N 43 117.175 117.175 120.152 -2.977 19217 4374 1 12 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.281 -0.139 19217 4375 1 12 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.289 -3.848 19217 4376 1 12 . 1 1 43 43 CYS CB C 43 42.928 42.928 30.339 12.589 19217 4377 1 12 . 1 1 43 43 CYS H H 43 9.131 9.131 8.270 0.861 19217 4378 1 12 . 1 1 44 44 GLY N N 44 113.879 113.879 112.241 1.638 19217 4379 1 12 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.865 -2.315 19217 4380 1 12 . 1 1 44 44 GLY H H 44 8.913 8.913 8.794 0.119 19217 4381 1 12 . 1 1 45 45 ALA N N 45 122.305 122.305 122.758 -0.453 19217 4382 1 12 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.258 0.266 19217 4383 1 12 . 1 1 45 45 ALA CA C 45 53.824 53.824 54.826 -1.002 19217 4384 1 12 . 1 1 45 45 ALA CB C 45 18.722 18.722 20.106 -1.384 19217 4385 1 12 . 1 1 45 45 ALA H H 45 9.057 9.057 8.151 0.906 19217 4386 1 12 . 1 1 46 46 ASP N N 46 119.678 119.678 114.964 4.714 19217 4387 1 12 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.924 -0.311 19217 4388 1 12 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.229 2.868 19217 4389 1 12 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.670 -1.192 19217 4390 1 12 . 1 1 46 46 ASP H H 46 9.741 9.741 7.976 1.765 19217 4391 1 12 . 1 1 47 47 SER N N 47 112.389 112.389 111.735 0.654 19217 4392 1 12 . 1 1 47 47 SER HA H 47 4.654 4.654 4.945 -0.291 19217 4393 1 12 . 1 1 47 47 SER CA C 47 57.626 57.626 56.394 1.232 19217 4394 1 12 . 1 1 47 47 SER CB C 47 64.037 64.037 63.488 0.549 19217 4395 1 12 . 1 1 47 47 SER H H 47 7.798 7.798 7.577 0.221 19217 4396 1 12 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.452 -0.307 19217 4397 1 12 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.403 0.727 19217 4398 1 12 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.111 0.236 19217 4399 1 12 . 1 1 49 49 LYS N N 49 115.074 115.074 117.437 -2.363 19217 4400 1 12 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.082 0.135 19217 4401 1 12 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.347 -1.048 19217 4402 1 12 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.221 -0.308 19217 4403 1 12 . 1 1 49 49 LYS H H 49 8.151 8.151 8.148 0.003 19217 4404 1 12 . 1 1 50 50 ASP N N 50 122.818 122.818 118.544 4.274 19217 4405 1 12 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.283 0.029 19217 4406 1 12 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.470 0.779 19217 4407 1 12 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.426 1.055 19217 4408 1 12 . 1 1 50 50 ASP H H 50 8.149 8.149 7.615 0.534 19217 4409 1 12 . 1 1 51 51 TYR N N 51 114.312 114.312 116.303 -1.991 19217 4410 1 12 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.309 0.067 19217 4411 1 12 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.326 -0.490 19217 4412 1 12 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.295 -0.391 19217 4413 1 12 . 1 1 51 51 TYR H H 51 7.260 7.260 7.554 -0.294 19217 4414 1 12 . 1 1 52 52 GLY N N 52 109.793 109.793 107.250 2.543 19217 4415 1 12 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.487 0.352 19217 4416 1 12 . 1 1 52 52 GLY H H 52 7.967 7.967 7.517 0.450 19217 4417 1 12 . 1 1 53 53 GLU N N 53 123.571 123.571 122.820 0.751 19217 4418 1 12 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.555 -0.353 19217 4419 1 12 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.217 0.888 19217 4420 1 12 . 1 1 53 53 GLU CB C 53 30.020 30.020 30.017 0.003 19217 4421 1 12 . 1 1 53 53 GLU H H 53 8.788 8.788 8.585 0.203 19217 4422 1 12 . 1 1 54 54 ASN N N 54 115.160 115.160 118.983 -3.823 19217 4423 1 12 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.949 0.273 19217 4424 1 12 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.216 -1.252 19217 4425 1 12 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.395 1.005 19217 4426 1 12 . 1 1 54 54 ASN H H 54 7.853 7.853 8.413 -0.560 19217 4427 1 12 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.283 -0.238 19217 4428 1 12 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.542 -0.254 19217 4429 1 12 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.321 -0.650 19217 4430 1 12 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.305 0.228 19217 4431 1 12 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.014 -0.320 19217 4432 1 12 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.257 1.200 19217 4433 1 12 . 1 1 57 57 THR N N 57 116.449 116.449 115.224 1.225 19217 4434 1 12 . 1 1 57 57 THR HA H 57 3.832 3.832 3.923 -0.091 19217 4435 1 12 . 1 1 57 57 THR CA C 57 65.318 65.318 64.976 0.342 19217 4436 1 12 . 1 1 57 57 THR CB C 57 68.433 68.433 68.420 0.013 19217 4437 1 12 . 1 1 57 57 THR H H 57 8.894 8.894 8.721 0.173 19217 4438 1 12 . 1 1 58 58 SER N N 58 113.767 113.767 116.580 -2.813 19217 4439 1 12 . 1 1 58 58 SER HA H 58 4.409 4.409 4.409 0.000 19217 4440 1 12 . 1 1 58 58 SER CA C 58 59.123 59.123 61.142 -2.019 19217 4441 1 12 . 1 1 58 58 SER CB C 58 62.669 62.669 62.224 0.445 19217 4442 1 12 . 1 1 58 58 SER H H 58 7.839 7.839 8.498 -0.659 19217 4443 1 12 . 1 1 59 59 CYS N N 59 117.062 117.062 121.406 -4.344 19217 4444 1 12 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.404 0.378 19217 4445 1 12 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.821 1.091 19217 4446 1 12 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.187 19.630 19217 4447 1 12 . 1 1 59 59 CYS H H 59 7.397 7.397 7.901 -0.504 19217 4448 1 12 . 1 1 60 60 SER N N 60 112.368 112.368 112.976 -0.608 19217 4449 1 12 . 1 1 60 60 SER HA H 60 4.258 4.258 4.629 -0.371 19217 4450 1 12 . 1 1 60 60 SER CA C 60 56.925 56.925 56.329 0.596 19217 4451 1 12 . 1 1 60 60 SER CB C 60 67.049 67.049 66.165 0.884 19217 4452 1 12 . 1 1 60 60 SER H H 60 7.486 7.486 7.323 0.163 19217 4453 1 12 . 1 1 61 61 LYS N N 61 120.402 120.402 121.121 -0.719 19217 4454 1 12 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.522 -0.131 19217 4455 1 12 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.777 -0.460 19217 4456 1 12 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.624 1.320 19217 4457 1 12 . 1 1 61 61 LYS H H 61 7.918 7.918 8.377 -0.459 19217 4458 1 12 . 1 1 62 62 ASP N N 62 128.253 128.253 125.335 2.918 19217 4459 1 12 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.327 -0.047 19217 4460 1 12 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.247 0.452 19217 4461 1 12 . 1 1 62 62 ASP CB C 62 39.522 39.522 39.407 0.115 19217 4462 1 12 . 1 1 62 62 ASP H H 62 9.517 9.517 8.975 0.542 19217 4463 1 12 . 1 1 63 63 GLY N N 63 103.421 103.421 104.227 -0.806 19217 4464 1 12 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.225 -0.023 19217 4465 1 12 . 1 1 63 63 GLY H H 63 8.597 8.597 8.402 0.195 19217 4466 1 12 . 1 1 64 64 VAL N N 64 122.304 122.304 118.834 3.470 19217 4467 1 12 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.298 -0.239 19217 4468 1 12 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.299 1.343 19217 4469 1 12 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.540 -2.257 19217 4470 1 12 . 1 1 64 64 VAL H H 64 7.630 7.630 7.202 0.428 19217 4471 1 12 . 1 1 65 65 GLN N N 65 126.376 126.376 123.395 2.981 19217 4472 1 12 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.277 -0.154 19217 4473 1 12 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.387 0.597 19217 4474 1 12 . 1 1 65 65 GLN CB C 65 30.137 30.137 31.230 -1.093 19217 4475 1 12 . 1 1 65 65 GLN H H 65 8.366 8.366 8.352 0.014 19217 4476 1 12 . 1 1 66 66 PHE N N 66 126.770 126.770 125.240 1.530 19217 4477 1 12 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.560 0.365 19217 4478 1 12 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.105 -1.663 19217 4479 1 12 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.311 -0.719 19217 4480 1 12 . 1 1 66 66 PHE H H 66 8.606 8.606 8.140 0.466 19217 4481 1 12 . 1 1 67 67 THR N N 67 110.796 110.796 114.565 -3.769 19217 4482 1 12 . 1 1 67 67 THR HA H 67 4.378 4.378 4.407 -0.029 19217 4483 1 12 . 1 1 67 67 THR CA C 67 62.290 62.290 61.804 0.486 19217 4484 1 12 . 1 1 67 67 THR CB C 67 69.730 69.730 69.210 0.520 19217 4485 1 12 . 1 1 67 67 THR H H 67 8.105 8.105 8.518 -0.413 19217 4486 1 12 . 1 1 68 68 GLU N N 68 122.415 122.415 121.059 1.356 19217 4487 1 12 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.682 -0.046 19217 4488 1 12 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.941 0.328 19217 4489 1 12 . 1 1 68 68 GLU CB C 68 32.089 32.089 33.214 -1.125 19217 4490 1 12 . 1 1 68 68 GLU H H 68 8.171 8.171 7.971 0.200 19217 4491 1 12 . 1 1 69 69 GLY N N 69 109.155 109.155 107.563 1.592 19217 4492 1 12 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.684 -0.323 19217 4493 1 12 . 1 1 69 69 GLY H H 69 8.870 8.870 8.575 0.295 19217 4494 1 12 . 1 1 70 70 CYS N N 70 116.376 116.376 118.274 -1.898 19217 4495 1 12 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.711 -0.266 19217 4496 1 12 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.745 -3.296 19217 4497 1 12 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.843 12.948 19217 4498 1 12 . 1 1 70 70 CYS H H 70 8.335 8.335 8.194 0.141 19217 4499 1 12 . 1 1 71 71 ILE N N 71 121.812 121.812 121.109 0.703 19217 4500 1 12 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.564 -0.045 19217 4501 1 12 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.066 0.741 19217 4502 1 12 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.632 -0.806 19217 4503 1 12 . 1 1 71 71 ILE H H 71 9.129 9.129 8.572 0.557 19217 4504 1 12 . 1 1 72 72 LYS N N 72 121.424 121.424 118.252 3.172 19217 4505 1 12 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.162 -0.147 19217 4506 1 12 . 1 1 72 72 LYS CA C 72 59.203 59.203 58.801 0.402 19217 4507 1 12 . 1 1 72 72 LYS CB C 72 32.083 32.083 31.994 0.089 19217 4508 1 12 . 1 1 72 72 LYS H H 72 8.179 8.179 8.394 -0.215 19217 4509 1 12 . 1 1 73 73 LYS N N 73 115.131 115.131 120.319 -5.188 19217 4510 1 12 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.099 0.084 19217 4511 1 12 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.117 -1.375 19217 4512 1 12 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.216 -0.034 19217 4513 1 12 . 1 1 73 73 LYS H H 73 7.287 7.287 7.647 -0.360 19217 4514 1 12 . 1 1 74 74 VAL N N 74 117.637 117.637 115.453 2.184 19217 4515 1 12 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.648 -0.016 19217 4516 1 12 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.096 -0.157 19217 4517 1 12 . 1 1 74 74 VAL CB C 74 31.432 31.432 31.131 0.300 19217 4518 1 12 . 1 1 74 74 VAL H H 74 8.398 8.398 8.600 -0.202 19217 4519 1 12 . 1 1 75 75 SER N N 75 117.090 117.090 115.052 2.038 19217 4520 1 12 . 1 1 75 75 SER HA H 75 4.144 4.144 4.129 0.015 19217 4521 1 12 . 1 1 75 75 SER CA C 75 61.816 61.816 61.139 0.677 19217 4522 1 12 . 1 1 75 75 SER CB C 75 62.840 62.840 62.745 0.095 19217 4523 1 12 . 1 1 75 75 SER H H 75 8.249 8.249 7.872 0.377 19217 4524 1 12 . 1 1 76 76 ASP N N 76 121.102 121.102 122.478 -1.376 19217 4525 1 12 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.369 0.107 19217 4526 1 12 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.534 -1.117 19217 4527 1 12 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.825 -0.389 19217 4528 1 12 . 1 1 76 76 ASP H H 76 8.240 8.240 7.651 0.589 19217 4529 1 12 . 1 1 77 77 LEU N N 77 119.967 119.967 116.298 3.669 19217 4530 1 12 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.209 0.002 19217 4531 1 12 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.411 -0.751 19217 4532 1 12 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.680 0.536 19217 4533 1 12 . 1 1 77 77 LEU H H 77 7.728 7.728 7.506 0.222 19217 4534 1 12 . 1 1 78 78 SER N N 78 113.729 113.729 113.740 -0.011 19217 4535 1 12 . 1 1 78 78 SER HA H 78 4.379 4.379 4.220 0.159 19217 4536 1 12 . 1 1 78 78 SER CA C 78 59.286 59.286 60.576 -1.290 19217 4537 1 12 . 1 1 78 78 SER CB C 78 63.761 63.761 63.503 0.258 19217 4538 1 12 . 1 1 78 78 SER H H 78 7.873 7.873 7.683 0.190 19217 4539 1 12 . 1 1 79 79 LYS N N 79 121.616 121.616 118.974 2.642 19217 4540 1 12 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.138 0.150 19217 4541 1 12 . 1 1 79 79 LYS CA C 79 56.416 56.416 57.079 -0.663 19217 4542 1 12 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.977 -0.136 19217 4543 1 12 . 1 1 79 79 LYS H H 79 7.741 7.741 7.690 0.051 19217 4544 1 12 . 1 1 80 80 ALA N N 80 124.562 124.562 121.873 2.689 19217 4545 1 12 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.095 0.179 19217 4546 1 12 . 1 1 80 80 ALA CA C 80 52.613 52.613 53.127 -0.514 19217 4547 1 12 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.347 -0.077 19217 4548 1 12 . 1 1 80 80 ALA H H 80 8.044 8.044 7.212 0.832 19217 4549 1 13 . 1 1 2 2 SER N N 2 115.654 115.654 117.346 -1.692 19217 4550 1 13 . 1 1 2 2 SER HA H 2 4.496 4.496 4.565 -0.069 19217 4551 1 13 . 1 1 2 2 SER CA C 2 58.438 58.438 58.215 0.223 19217 4552 1 13 . 1 1 2 2 SER CB C 2 63.859 63.859 63.943 -0.084 19217 4553 1 13 . 1 1 2 2 SER H H 2 8.716 8.716 8.277 0.439 19217 4554 1 13 . 1 1 3 3 ASN N N 3 120.885 120.885 120.960 -0.075 19217 4555 1 13 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.882 -0.154 19217 4556 1 13 . 1 1 3 3 ASN CA C 3 53.319 53.319 52.761 0.558 19217 4557 1 13 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.528 -0.881 19217 4558 1 13 . 1 1 3 3 ASN H H 3 8.703 8.703 8.475 0.228 19217 4559 1 13 . 1 1 4 4 GLU N N 4 120.920 120.920 119.784 1.136 19217 4560 1 13 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.536 -0.264 19217 4561 1 13 . 1 1 4 4 GLU CA C 4 56.434 56.434 55.669 0.765 19217 4562 1 13 . 1 1 4 4 GLU CB C 4 30.469 30.469 29.237 1.232 19217 4563 1 13 . 1 1 4 4 GLU H H 4 8.261 8.261 8.400 -0.139 19217 4564 1 13 . 1 1 5 5 LYS N N 5 124.113 124.113 122.798 1.315 19217 4565 1 13 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.384 0.164 19217 4566 1 13 . 1 1 5 5 LYS CA C 5 54.630 54.630 55.402 -0.772 19217 4567 1 13 . 1 1 5 5 LYS CB C 5 32.094 32.094 31.642 0.452 19217 4568 1 13 . 1 1 5 5 LYS H H 5 8.452 8.452 8.192 0.260 19217 4569 1 13 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.479 -0.097 19217 4570 1 13 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.513 0.853 19217 4571 1 13 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.393 -0.260 19217 4572 1 13 . 1 1 7 7 LYS N N 7 121.721 121.721 120.766 0.955 19217 4573 1 13 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.329 -0.047 19217 4574 1 13 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.844 0.736 19217 4575 1 13 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.360 0.629 19217 4576 1 13 . 1 1 7 7 LYS H H 7 8.449 8.449 8.321 0.128 19217 4577 1 13 . 1 1 8 8 VAL N N 8 121.294 121.294 124.815 -3.521 19217 4578 1 13 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.309 -0.279 19217 4579 1 13 . 1 1 8 8 VAL CA C 8 62.751 62.751 60.078 2.673 19217 4580 1 13 . 1 1 8 8 VAL CB C 8 32.778 32.778 35.160 -2.382 19217 4581 1 13 . 1 1 8 8 VAL H H 8 8.062 8.062 8.525 -0.463 19217 4582 1 13 . 1 1 9 9 LYS N N 9 125.108 125.108 127.215 -2.107 19217 4583 1 13 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.002 0.199 19217 4584 1 13 . 1 1 9 9 LYS CA C 9 57.275 57.275 59.093 -1.818 19217 4585 1 13 . 1 1 9 9 LYS CB C 9 32.882 32.882 31.862 1.020 19217 4586 1 13 . 1 1 9 9 LYS H H 9 8.429 8.429 8.894 -0.465 19217 4587 1 13 . 1 1 10 10 LYS N N 10 122.428 122.428 120.258 2.170 19217 4588 1 13 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.060 0.140 19217 4589 1 13 . 1 1 10 10 LYS CA C 10 57.424 57.424 59.139 -1.715 19217 4590 1 13 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.745 1.163 19217 4591 1 13 . 1 1 10 10 LYS H H 10 8.322 8.322 8.394 -0.072 19217 4592 1 13 . 1 1 11 11 HIS N N 11 119.909 119.909 120.008 -0.099 19217 4593 1 13 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.329 0.282 19217 4594 1 13 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.914 -1.920 19217 4595 1 13 . 1 1 11 11 HIS CB C 11 29.609 29.609 30.140 -0.531 19217 4596 1 13 . 1 1 11 11 HIS H H 11 8.402 8.402 8.097 0.305 19217 4597 1 13 . 1 1 12 12 ILE N N 12 121.819 121.819 119.668 2.151 19217 4598 1 13 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.726 0.133 19217 4599 1 13 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.934 -1.569 19217 4600 1 13 . 1 1 12 12 ILE CB C 12 38.355 38.355 36.358 1.997 19217 4601 1 13 . 1 1 12 12 ILE H H 12 8.152 8.152 8.133 0.020 19217 4602 1 13 . 1 1 13 13 THR N N 13 116.420 116.420 116.446 -0.026 19217 4603 1 13 . 1 1 13 13 THR HA H 13 3.933 3.933 3.984 -0.051 19217 4604 1 13 . 1 1 13 13 THR CA C 13 64.847 64.847 66.902 -2.055 19217 4605 1 13 . 1 1 13 13 THR CB C 13 68.899 68.899 67.998 0.902 19217 4606 1 13 . 1 1 13 13 THR H H 13 8.095 8.095 8.107 -0.012 19217 4607 1 13 . 1 1 14 14 SER N N 14 116.367 116.367 117.810 -1.443 19217 4608 1 13 . 1 1 14 14 SER HA H 14 4.230 4.230 4.068 0.162 19217 4609 1 13 . 1 1 14 14 SER CA C 14 60.111 60.111 61.737 -1.626 19217 4610 1 13 . 1 1 14 14 SER CB C 14 63.317 63.317 62.527 0.790 19217 4611 1 13 . 1 1 14 14 SER H H 14 8.111 8.111 7.744 0.367 19217 4612 1 13 . 1 1 15 15 ALA N N 15 124.756 124.756 124.566 0.190 19217 4613 1 13 . 1 1 15 15 ALA HA H 15 4.130 4.130 3.845 0.285 19217 4614 1 13 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.727 0.111 19217 4615 1 13 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.186 0.580 19217 4616 1 13 . 1 1 15 15 ALA H H 15 8.248 8.248 7.929 0.319 19217 4617 1 13 . 1 1 16 16 LEU N N 16 116.067 116.067 119.265 -3.198 19217 4618 1 13 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.083 -0.044 19217 4619 1 13 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.482 -0.607 19217 4620 1 13 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.800 -0.408 19217 4621 1 13 . 1 1 16 16 LEU H H 16 8.188 8.188 8.407 -0.219 19217 4622 1 13 . 1 1 17 17 LYS N N 17 119.021 119.021 119.064 -0.043 19217 4623 1 13 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.921 -0.092 19217 4624 1 13 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.721 -0.795 19217 4625 1 13 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.157 -0.194 19217 4626 1 13 . 1 1 17 17 LYS H H 17 7.870 7.870 8.330 -0.460 19217 4627 1 13 . 1 1 18 18 LYS N N 18 117.677 117.677 119.111 -1.434 19217 4628 1 13 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.086 0.025 19217 4629 1 13 . 1 1 18 18 LYS CA C 18 58.704 58.704 59.050 -0.346 19217 4630 1 13 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.398 -0.178 19217 4631 1 13 . 1 1 18 18 LYS H H 18 7.598 7.598 7.852 -0.254 19217 4632 1 13 . 1 1 19 19 LEU N N 19 117.430 117.430 121.186 -3.756 19217 4633 1 13 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.820 0.255 19217 4634 1 13 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.797 -0.276 19217 4635 1 13 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.814 0.141 19217 4636 1 13 . 1 1 19 19 LEU H H 19 7.594 7.594 7.878 -0.284 19217 4637 1 13 . 1 1 20 20 VAL N N 20 118.252 118.252 114.881 3.371 19217 4638 1 13 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.328 0.035 19217 4639 1 13 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.075 1.971 19217 4640 1 13 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.431 -0.275 19217 4641 1 13 . 1 1 20 20 VAL H H 20 7.662 7.662 7.387 0.275 19217 4642 1 13 . 1 1 21 21 ASP N N 21 119.557 119.557 120.668 -1.111 19217 4643 1 13 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.387 0.083 19217 4644 1 13 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.676 -0.030 19217 4645 1 13 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.022 -0.107 19217 4646 1 13 . 1 1 21 21 ASP H H 21 7.645 7.645 7.469 0.176 19217 4647 1 13 . 1 1 22 22 LYS N N 22 117.493 117.493 118.987 -1.494 19217 4648 1 13 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.444 0.111 19217 4649 1 13 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.468 0.803 19217 4650 1 13 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.720 2.085 19217 4651 1 13 . 1 1 22 22 LYS H H 22 7.782 7.782 8.193 -0.411 19217 4652 1 13 . 1 1 23 23 TYR N N 23 121.877 121.877 121.533 0.344 19217 4653 1 13 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.130 -0.431 19217 4654 1 13 . 1 1 23 23 TYR CA C 23 63.376 63.376 61.976 1.400 19217 4655 1 13 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.909 1.423 19217 4656 1 13 . 1 1 23 23 TYR H H 23 7.738 7.738 7.249 0.489 19217 4657 1 13 . 1 1 24 24 ARG N N 24 111.739 111.739 117.240 -5.501 19217 4658 1 13 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.436 -0.294 19217 4659 1 13 . 1 1 24 24 ARG CA C 24 57.874 57.874 57.041 0.833 19217 4660 1 13 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.871 -0.072 19217 4661 1 13 . 1 1 24 24 ARG H H 24 8.577 8.577 8.586 -0.009 19217 4662 1 13 . 1 1 25 25 ASN N N 25 113.359 113.359 117.310 -3.951 19217 4663 1 13 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.790 0.230 19217 4664 1 13 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.653 -1.338 19217 4665 1 13 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.694 0.180 19217 4666 1 13 . 1 1 25 25 ASN H H 25 7.711 7.711 7.653 0.058 19217 4667 1 13 . 1 1 26 26 ASP N N 26 120.181 120.181 120.322 -0.141 19217 4668 1 13 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.856 0.075 19217 4669 1 13 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.001 0.595 19217 4670 1 13 . 1 1 26 26 ASP CB C 26 43.635 43.635 42.657 0.978 19217 4671 1 13 . 1 1 26 26 ASP H H 26 7.424 7.424 8.047 -0.623 19217 4672 1 13 . 1 1 27 27 GLU N N 27 126.678 126.678 126.770 -0.092 19217 4673 1 13 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.900 -0.098 19217 4674 1 13 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.583 -0.393 19217 4675 1 13 . 1 1 27 27 GLU CB C 27 29.759 29.759 28.989 0.770 19217 4676 1 13 . 1 1 27 27 GLU H H 27 9.073 9.073 8.891 0.182 19217 4677 1 13 . 1 1 28 28 HIS N N 28 118.927 118.927 117.308 1.619 19217 4678 1 13 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.307 0.104 19217 4679 1 13 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.134 0.643 19217 4680 1 13 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.680 -1.863 19217 4681 1 13 . 1 1 28 28 HIS H H 28 8.585 8.585 8.380 0.205 19217 4682 1 13 . 1 1 29 29 VAL N N 29 120.860 120.860 118.685 2.175 19217 4683 1 13 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.758 -0.318 19217 4684 1 13 . 1 1 29 29 VAL CA C 29 66.677 66.677 64.972 1.705 19217 4685 1 13 . 1 1 29 29 VAL CB C 29 31.504 31.504 30.991 0.513 19217 4686 1 13 . 1 1 29 29 VAL H H 29 7.811 7.811 7.581 0.230 19217 4687 1 13 . 1 1 30 30 ARG N N 30 119.042 119.042 119.970 -0.928 19217 4688 1 13 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.200 0.676 19217 4689 1 13 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.704 0.570 19217 4690 1 13 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.341 0.714 19217 4691 1 13 . 1 1 30 30 ARG H H 30 7.919 7.919 7.350 0.569 19217 4692 1 13 . 1 1 31 31 LYS N N 31 116.630 116.630 118.605 -1.975 19217 4693 1 13 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.097 0.029 19217 4694 1 13 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.387 0.198 19217 4695 1 13 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.799 0.664 19217 4696 1 13 . 1 1 31 31 LYS H H 31 7.583 7.583 7.495 0.088 19217 4697 1 13 . 1 1 32 32 VAL N N 32 118.507 118.507 120.479 -1.972 19217 4698 1 13 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.870 -0.085 19217 4699 1 13 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.569 -0.470 19217 4700 1 13 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.660 0.610 19217 4701 1 13 . 1 1 32 32 VAL H H 32 7.576 7.576 7.345 0.231 19217 4702 1 13 . 1 1 33 33 PHE N N 33 120.874 120.874 119.578 1.296 19217 4703 1 13 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.270 0.006 19217 4704 1 13 . 1 1 33 33 PHE CA C 33 61.515 61.515 60.914 0.601 19217 4705 1 13 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.111 0.242 19217 4706 1 13 . 1 1 33 33 PHE H H 33 9.246 9.246 9.020 0.226 19217 4707 1 13 . 1 1 34 34 ASP N N 34 119.331 119.331 121.096 -1.765 19217 4708 1 13 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.441 0.087 19217 4709 1 13 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.771 0.837 19217 4710 1 13 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.959 -1.038 19217 4711 1 13 . 1 1 34 34 ASP H H 34 9.507 9.507 8.584 0.923 19217 4712 1 13 . 1 1 35 35 GLU N N 35 118.378 118.378 119.416 -1.038 19217 4713 1 13 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.107 0.094 19217 4714 1 13 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.017 0.705 19217 4715 1 13 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.359 0.200 19217 4716 1 13 . 1 1 35 35 GLU H H 35 7.334 7.334 7.665 -0.331 19217 4717 1 13 . 1 1 36 36 ILE N N 36 119.241 119.241 121.452 -2.211 19217 4718 1 13 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.605 -0.162 19217 4719 1 13 . 1 1 36 36 ILE CA C 36 66.761 66.761 64.862 1.899 19217 4720 1 13 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.678 0.774 19217 4721 1 13 . 1 1 36 36 ILE H H 36 8.054 8.054 7.590 0.464 19217 4722 1 13 . 1 1 37 37 GLN N N 37 117.541 117.541 118.756 -1.215 19217 4723 1 13 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.885 0.520 19217 4724 1 13 . 1 1 37 37 GLN CA C 37 60.016 60.016 58.897 1.119 19217 4725 1 13 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.691 -0.308 19217 4726 1 13 . 1 1 37 37 GLN H H 37 8.517 8.517 8.209 0.308 19217 4727 1 13 . 1 1 38 38 GLN N N 38 113.900 113.900 117.841 -3.941 19217 4728 1 13 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.066 0.178 19217 4729 1 13 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.229 0.293 19217 4730 1 13 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.756 1.439 19217 4731 1 13 . 1 1 38 38 GLN H H 38 8.023 8.023 7.735 0.288 19217 4732 1 13 . 1 1 39 39 LYS N N 39 117.850 117.850 119.482 -1.632 19217 4733 1 13 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.949 0.207 19217 4734 1 13 . 1 1 39 39 LYS CA C 39 58.883 58.883 58.978 -0.095 19217 4735 1 13 . 1 1 39 39 LYS CB C 39 32.919 32.919 31.998 0.921 19217 4736 1 13 . 1 1 39 39 LYS H H 39 8.480 8.480 8.183 0.297 19217 4737 1 13 . 1 1 40 40 LEU N N 40 114.726 114.726 115.816 -1.090 19217 4738 1 13 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.350 -0.167 19217 4739 1 13 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.663 -0.433 19217 4740 1 13 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.604 -0.815 19217 4741 1 13 . 1 1 40 40 LEU H H 40 8.427 8.427 7.711 0.716 19217 4742 1 13 . 1 1 41 41 HIS N N 41 115.299 115.299 113.662 1.637 19217 4743 1 13 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.256 -0.811 19217 4744 1 13 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.599 -2.876 19217 4745 1 13 . 1 1 41 41 HIS CB C 41 25.218 25.218 26.052 -0.834 19217 4746 1 13 . 1 1 41 41 HIS H H 41 7.466 7.466 7.503 -0.037 19217 4747 1 13 . 1 1 42 42 CYS N N 42 116.999 116.999 111.760 5.239 19217 4748 1 13 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.740 0.324 19217 4749 1 13 . 1 1 42 42 CYS CA C 42 53.833 53.833 55.873 -2.040 19217 4750 1 13 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.010 16.768 19217 4751 1 13 . 1 1 42 42 CYS H H 42 8.205 8.205 7.451 0.754 19217 4752 1 13 . 1 1 43 43 CYS N N 43 117.175 117.175 122.346 -5.171 19217 4753 1 13 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.006 0.136 19217 4754 1 13 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.192 -3.751 19217 4755 1 13 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.646 13.282 19217 4756 1 13 . 1 1 43 43 CYS H H 43 9.131 9.131 8.460 0.671 19217 4757 1 13 . 1 1 44 44 GLY N N 44 113.879 113.879 114.689 -0.810 19217 4758 1 13 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.444 -1.894 19217 4759 1 13 . 1 1 44 44 GLY H H 44 8.913 8.913 8.535 0.378 19217 4760 1 13 . 1 1 45 45 ALA N N 45 122.305 122.305 121.902 0.403 19217 4761 1 13 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.256 0.268 19217 4762 1 13 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.445 -1.621 19217 4763 1 13 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.583 -0.861 19217 4764 1 13 . 1 1 45 45 ALA H H 45 9.057 9.057 8.740 0.317 19217 4765 1 13 . 1 1 46 46 ASP N N 46 119.678 119.678 113.678 6.000 19217 4766 1 13 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.727 -0.114 19217 4767 1 13 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.288 2.809 19217 4768 1 13 . 1 1 46 46 ASP CB C 46 42.478 42.478 42.525 -0.047 19217 4769 1 13 . 1 1 46 46 ASP H H 46 9.741 9.741 8.672 1.069 19217 4770 1 13 . 1 1 47 47 SER N N 47 112.389 112.389 110.158 2.231 19217 4771 1 13 . 1 1 47 47 SER HA H 47 4.654 4.654 4.775 -0.121 19217 4772 1 13 . 1 1 47 47 SER CA C 47 57.626 57.626 56.258 1.368 19217 4773 1 13 . 1 1 47 47 SER CB C 47 64.037 64.037 63.840 0.197 19217 4774 1 13 . 1 1 47 47 SER H H 47 7.798 7.798 7.231 0.567 19217 4775 1 13 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.503 -0.358 19217 4776 1 13 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.125 1.005 19217 4777 1 13 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.087 0.259 19217 4778 1 13 . 1 1 49 49 LYS N N 49 115.074 115.074 117.753 -2.679 19217 4779 1 13 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.128 0.089 19217 4780 1 13 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.108 -0.809 19217 4781 1 13 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.329 -0.416 19217 4782 1 13 . 1 1 49 49 LYS H H 49 8.151 8.151 8.171 -0.020 19217 4783 1 13 . 1 1 50 50 ASP N N 50 122.818 122.818 119.280 3.538 19217 4784 1 13 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.314 -0.002 19217 4785 1 13 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.767 0.482 19217 4786 1 13 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.465 1.016 19217 4787 1 13 . 1 1 50 50 ASP H H 50 8.149 8.149 7.700 0.449 19217 4788 1 13 . 1 1 51 51 TYR N N 51 114.312 114.312 116.395 -2.083 19217 4789 1 13 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.323 0.053 19217 4790 1 13 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.596 -0.760 19217 4791 1 13 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.464 -0.560 19217 4792 1 13 . 1 1 51 51 TYR H H 51 7.260 7.260 7.480 -0.220 19217 4793 1 13 . 1 1 52 52 GLY N N 52 109.793 109.793 107.200 2.593 19217 4794 1 13 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.476 0.363 19217 4795 1 13 . 1 1 52 52 GLY H H 52 7.967 7.967 7.564 0.403 19217 4796 1 13 . 1 1 53 53 GLU N N 53 123.571 123.571 123.452 0.119 19217 4797 1 13 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.506 -0.304 19217 4798 1 13 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.096 1.009 19217 4799 1 13 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.744 0.277 19217 4800 1 13 . 1 1 53 53 GLU H H 53 8.788 8.788 8.747 0.041 19217 4801 1 13 . 1 1 54 54 ASN N N 54 115.160 115.160 116.651 -1.491 19217 4802 1 13 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.910 0.312 19217 4803 1 13 . 1 1 54 54 ASN CA C 54 50.964 50.964 51.150 -0.186 19217 4804 1 13 . 1 1 54 54 ASN CB C 54 40.400 40.400 37.422 2.978 19217 4805 1 13 . 1 1 54 54 ASN H H 54 7.853 7.853 8.049 -0.196 19217 4806 1 13 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.085 -0.040 19217 4807 1 13 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.550 -0.262 19217 4808 1 13 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.009 -0.338 19217 4809 1 13 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.323 0.210 19217 4810 1 13 . 1 1 56 56 PRO CA C 56 61.694 61.694 61.970 -0.276 19217 4811 1 13 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.336 1.121 19217 4812 1 13 . 1 1 57 57 THR N N 57 116.449 116.449 115.082 1.367 19217 4813 1 13 . 1 1 57 57 THR HA H 57 3.832 3.832 3.909 -0.077 19217 4814 1 13 . 1 1 57 57 THR CA C 57 65.318 65.318 65.333 -0.015 19217 4815 1 13 . 1 1 57 57 THR CB C 57 68.433 68.433 68.543 -0.110 19217 4816 1 13 . 1 1 57 57 THR H H 57 8.894 8.894 8.728 0.166 19217 4817 1 13 . 1 1 58 58 SER N N 58 113.767 113.767 116.617 -2.850 19217 4818 1 13 . 1 1 58 58 SER HA H 58 4.409 4.409 4.506 -0.097 19217 4819 1 13 . 1 1 58 58 SER CA C 58 59.123 59.123 60.765 -1.642 19217 4820 1 13 . 1 1 58 58 SER CB C 58 62.669 62.669 62.203 0.466 19217 4821 1 13 . 1 1 58 58 SER H H 58 7.839 7.839 8.271 -0.432 19217 4822 1 13 . 1 1 59 59 CYS N N 59 117.062 117.062 120.408 -3.346 19217 4823 1 13 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.633 0.149 19217 4824 1 13 . 1 1 59 59 CYS CA C 59 60.912 60.912 60.185 0.727 19217 4825 1 13 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.026 19.791 19217 4826 1 13 . 1 1 59 59 CYS H H 59 7.397 7.397 7.732 -0.335 19217 4827 1 13 . 1 1 60 60 SER N N 60 112.368 112.368 111.784 0.584 19217 4828 1 13 . 1 1 60 60 SER HA H 60 4.258 4.258 4.589 -0.331 19217 4829 1 13 . 1 1 60 60 SER CA C 60 56.925 56.925 56.620 0.305 19217 4830 1 13 . 1 1 60 60 SER CB C 60 67.049 67.049 66.243 0.807 19217 4831 1 13 . 1 1 60 60 SER H H 60 7.486 7.486 7.279 0.207 19217 4832 1 13 . 1 1 61 61 LYS N N 61 120.402 120.402 121.915 -1.513 19217 4833 1 13 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.597 -0.206 19217 4834 1 13 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.705 -0.388 19217 4835 1 13 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.832 1.112 19217 4836 1 13 . 1 1 61 61 LYS H H 61 7.918 7.918 8.191 -0.273 19217 4837 1 13 . 1 1 62 62 ASP N N 62 128.253 128.253 125.242 3.011 19217 4838 1 13 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.359 -0.079 19217 4839 1 13 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.092 0.607 19217 4840 1 13 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.187 -0.665 19217 4841 1 13 . 1 1 62 62 ASP H H 62 9.517 9.517 8.917 0.600 19217 4842 1 13 . 1 1 63 63 GLY N N 63 103.421 103.421 104.176 -0.755 19217 4843 1 13 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.352 -0.151 19217 4844 1 13 . 1 1 63 63 GLY H H 63 8.597 8.597 8.428 0.169 19217 4845 1 13 . 1 1 64 64 VAL N N 64 122.304 122.304 118.708 3.596 19217 4846 1 13 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.253 -0.194 19217 4847 1 13 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.309 1.333 19217 4848 1 13 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.454 -2.171 19217 4849 1 13 . 1 1 64 64 VAL H H 64 7.630 7.630 7.042 0.588 19217 4850 1 13 . 1 1 65 65 GLN N N 65 126.376 126.376 123.955 2.421 19217 4851 1 13 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.366 -0.243 19217 4852 1 13 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.344 0.640 19217 4853 1 13 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.744 -0.607 19217 4854 1 13 . 1 1 65 65 GLN H H 65 8.366 8.366 8.321 0.045 19217 4855 1 13 . 1 1 66 66 PHE N N 66 126.770 126.770 126.350 0.420 19217 4856 1 13 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.489 0.436 19217 4857 1 13 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.687 -2.245 19217 4858 1 13 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.398 -0.806 19217 4859 1 13 . 1 1 66 66 PHE H H 66 8.606 8.606 8.229 0.377 19217 4860 1 13 . 1 1 67 67 THR N N 67 110.796 110.796 114.187 -3.391 19217 4861 1 13 . 1 1 67 67 THR HA H 67 4.378 4.378 4.414 -0.036 19217 4862 1 13 . 1 1 67 67 THR CA C 67 62.290 62.290 61.259 1.031 19217 4863 1 13 . 1 1 67 67 THR CB C 67 69.730 69.730 69.817 -0.087 19217 4864 1 13 . 1 1 67 67 THR H H 67 8.105 8.105 8.465 -0.360 19217 4865 1 13 . 1 1 68 68 GLU N N 68 122.415 122.415 121.394 1.021 19217 4866 1 13 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.625 0.011 19217 4867 1 13 . 1 1 68 68 GLU CA C 68 55.269 55.269 55.029 0.240 19217 4868 1 13 . 1 1 68 68 GLU CB C 68 32.089 32.089 33.314 -1.225 19217 4869 1 13 . 1 1 68 68 GLU H H 68 8.171 8.171 8.066 0.105 19217 4870 1 13 . 1 1 69 69 GLY N N 69 109.155 109.155 107.511 1.644 19217 4871 1 13 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.590 -0.229 19217 4872 1 13 . 1 1 69 69 GLY H H 69 8.870 8.870 8.550 0.320 19217 4873 1 13 . 1 1 70 70 CYS N N 70 116.376 116.376 119.226 -2.850 19217 4874 1 13 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.587 -0.142 19217 4875 1 13 . 1 1 70 70 CYS CA C 70 56.449 56.449 60.207 -3.758 19217 4876 1 13 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.048 13.743 19217 4877 1 13 . 1 1 70 70 CYS H H 70 8.335 8.335 8.232 0.103 19217 4878 1 13 . 1 1 71 71 ILE N N 71 121.812 121.812 121.090 0.722 19217 4879 1 13 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.537 -0.018 19217 4880 1 13 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.139 0.668 19217 4881 1 13 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.590 -0.764 19217 4882 1 13 . 1 1 71 71 ILE H H 71 9.129 9.129 8.489 0.640 19217 4883 1 13 . 1 1 72 72 LYS N N 72 121.424 121.424 118.327 3.097 19217 4884 1 13 . 1 1 72 72 LYS HA H 72 4.015 4.015 3.964 0.051 19217 4885 1 13 . 1 1 72 72 LYS CA C 72 59.203 59.203 60.045 -0.843 19217 4886 1 13 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.267 -0.184 19217 4887 1 13 . 1 1 72 72 LYS H H 72 8.179 8.179 8.406 -0.227 19217 4888 1 13 . 1 1 73 73 LYS N N 73 115.131 115.131 120.055 -4.924 19217 4889 1 13 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.023 0.160 19217 4890 1 13 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.830 -1.088 19217 4891 1 13 . 1 1 73 73 LYS CB C 73 32.182 32.182 31.979 0.203 19217 4892 1 13 . 1 1 73 73 LYS H H 73 7.287 7.287 7.757 -0.470 19217 4893 1 13 . 1 1 74 74 VAL N N 74 117.637 117.637 116.199 1.438 19217 4894 1 13 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.696 -0.064 19217 4895 1 13 . 1 1 74 74 VAL CA C 74 65.939 65.939 65.982 -0.043 19217 4896 1 13 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.733 0.699 19217 4897 1 13 . 1 1 74 74 VAL H H 74 8.398 8.398 8.463 -0.065 19217 4898 1 13 . 1 1 75 75 SER N N 75 117.090 117.090 115.392 1.698 19217 4899 1 13 . 1 1 75 75 SER HA H 75 4.144 4.144 4.131 0.013 19217 4900 1 13 . 1 1 75 75 SER CA C 75 61.816 61.816 61.850 -0.034 19217 4901 1 13 . 1 1 75 75 SER CB C 75 62.840 62.840 62.996 -0.156 19217 4902 1 13 . 1 1 75 75 SER H H 75 8.249 8.249 7.568 0.681 19217 4903 1 13 . 1 1 76 76 ASP N N 76 121.102 121.102 122.685 -1.583 19217 4904 1 13 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.275 0.201 19217 4905 1 13 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.431 -1.014 19217 4906 1 13 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.975 -0.539 19217 4907 1 13 . 1 1 76 76 ASP H H 76 8.240 8.240 7.836 0.404 19217 4908 1 13 . 1 1 77 77 LEU N N 77 119.967 119.967 116.249 3.718 19217 4909 1 13 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.164 0.047 19217 4910 1 13 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.751 -1.091 19217 4911 1 13 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.540 0.676 19217 4912 1 13 . 1 1 77 77 LEU H H 77 7.728 7.728 7.716 0.012 19217 4913 1 13 . 1 1 78 78 SER N N 78 113.729 113.729 116.123 -2.394 19217 4914 1 13 . 1 1 78 78 SER HA H 78 4.379 4.379 4.268 0.111 19217 4915 1 13 . 1 1 78 78 SER CA C 78 59.286 59.286 60.749 -1.463 19217 4916 1 13 . 1 1 78 78 SER CB C 78 63.761 63.761 63.329 0.432 19217 4917 1 13 . 1 1 78 78 SER H H 78 7.873 7.873 7.674 0.199 19217 4918 1 13 . 1 1 79 79 LYS N N 79 121.616 121.616 119.555 2.061 19217 4919 1 13 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.404 -0.116 19217 4920 1 13 . 1 1 79 79 LYS CA C 79 56.416 56.416 54.991 1.425 19217 4921 1 13 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.147 0.695 19217 4922 1 13 . 1 1 79 79 LYS H H 79 7.741 7.741 7.685 0.056 19217 4923 1 13 . 1 1 80 80 ALA N N 80 124.562 124.562 122.393 2.169 19217 4924 1 13 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.130 0.144 19217 4925 1 13 . 1 1 80 80 ALA CA C 80 52.613 52.613 53.051 -0.438 19217 4926 1 13 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.756 -0.486 19217 4927 1 13 . 1 1 80 80 ALA H H 80 8.044 8.044 7.102 0.942 19217 4928 1 14 . 1 1 2 2 SER N N 2 115.654 115.654 117.382 -1.728 19217 4929 1 14 . 1 1 2 2 SER HA H 2 4.496 4.496 4.419 0.077 19217 4930 1 14 . 1 1 2 2 SER CA C 2 58.438 58.438 59.787 -1.349 19217 4931 1 14 . 1 1 2 2 SER CB C 2 63.859 63.859 63.098 0.761 19217 4932 1 14 . 1 1 2 2 SER H H 2 8.716 8.716 8.505 0.211 19217 4933 1 14 . 1 1 3 3 ASN N N 3 120.885 120.885 119.522 1.363 19217 4934 1 14 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.507 0.221 19217 4935 1 14 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.742 -0.423 19217 4936 1 14 . 1 1 3 3 ASN CB C 3 38.647 38.647 37.618 1.028 19217 4937 1 14 . 1 1 3 3 ASN H H 3 8.703 8.703 8.434 0.269 19217 4938 1 14 . 1 1 4 4 GLU N N 4 120.920 120.920 120.537 0.383 19217 4939 1 14 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.548 -0.276 19217 4940 1 14 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.204 0.230 19217 4941 1 14 . 1 1 4 4 GLU CB C 4 30.469 30.469 29.903 0.566 19217 4942 1 14 . 1 1 4 4 GLU H H 4 8.261 8.261 8.276 -0.015 19217 4943 1 14 . 1 1 5 5 LYS N N 5 124.113 124.113 123.090 1.023 19217 4944 1 14 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.722 -0.174 19217 4945 1 14 . 1 1 5 5 LYS CA C 5 54.630 54.630 53.369 1.261 19217 4946 1 14 . 1 1 5 5 LYS CB C 5 32.094 32.094 31.933 0.161 19217 4947 1 14 . 1 1 5 5 LYS H H 5 8.452 8.452 8.484 -0.032 19217 4948 1 14 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.459 -0.077 19217 4949 1 14 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.629 0.737 19217 4950 1 14 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.394 -0.261 19217 4951 1 14 . 1 1 7 7 LYS N N 7 121.721 121.721 120.148 1.573 19217 4952 1 14 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.548 -0.266 19217 4953 1 14 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.023 1.557 19217 4954 1 14 . 1 1 7 7 LYS CB C 7 32.989 32.989 33.845 -0.856 19217 4955 1 14 . 1 1 7 7 LYS H H 7 8.449 8.449 8.182 0.267 19217 4956 1 14 . 1 1 8 8 VAL N N 8 121.294 121.294 124.132 -2.838 19217 4957 1 14 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.150 -0.120 19217 4958 1 14 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.120 1.631 19217 4959 1 14 . 1 1 8 8 VAL CB C 8 32.778 32.778 33.058 -0.280 19217 4960 1 14 . 1 1 8 8 VAL H H 8 8.062 8.062 8.477 -0.415 19217 4961 1 14 . 1 1 9 9 LYS N N 9 125.108 125.108 125.025 0.083 19217 4962 1 14 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.018 0.183 19217 4963 1 14 . 1 1 9 9 LYS CA C 9 57.275 57.275 59.425 -2.150 19217 4964 1 14 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.147 0.735 19217 4965 1 14 . 1 1 9 9 LYS H H 9 8.429 8.429 8.692 -0.263 19217 4966 1 14 . 1 1 10 10 LYS N N 10 122.428 122.428 117.672 4.756 19217 4967 1 14 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.237 -0.037 19217 4968 1 14 . 1 1 10 10 LYS CA C 10 57.424 57.424 58.548 -1.124 19217 4969 1 14 . 1 1 10 10 LYS CB C 10 32.908 32.908 32.180 0.728 19217 4970 1 14 . 1 1 10 10 LYS H H 10 8.322 8.322 8.426 -0.104 19217 4971 1 14 . 1 1 11 11 HIS N N 11 119.909 119.909 119.819 0.090 19217 4972 1 14 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.350 0.261 19217 4973 1 14 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.420 -1.426 19217 4974 1 14 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.464 0.145 19217 4975 1 14 . 1 1 11 11 HIS H H 11 8.402 8.402 8.286 0.116 19217 4976 1 14 . 1 1 12 12 ILE N N 12 121.819 121.819 120.029 1.790 19217 4977 1 14 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.655 0.204 19217 4978 1 14 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.002 -1.637 19217 4979 1 14 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.592 0.763 19217 4980 1 14 . 1 1 12 12 ILE H H 12 8.152 8.152 7.856 0.296 19217 4981 1 14 . 1 1 13 13 THR N N 13 116.420 116.420 114.389 2.031 19217 4982 1 14 . 1 1 13 13 THR HA H 13 3.933 3.933 3.944 -0.011 19217 4983 1 14 . 1 1 13 13 THR CA C 13 64.847 64.847 66.852 -2.005 19217 4984 1 14 . 1 1 13 13 THR CB C 13 68.899 68.899 68.696 0.203 19217 4985 1 14 . 1 1 13 13 THR H H 13 8.095 8.095 7.951 0.144 19217 4986 1 14 . 1 1 14 14 SER N N 14 116.367 116.367 116.791 -0.424 19217 4987 1 14 . 1 1 14 14 SER HA H 14 4.230 4.230 4.224 0.006 19217 4988 1 14 . 1 1 14 14 SER CA C 14 60.111 60.111 61.495 -1.384 19217 4989 1 14 . 1 1 14 14 SER CB C 14 63.317 63.317 62.931 0.386 19217 4990 1 14 . 1 1 14 14 SER H H 14 8.111 8.111 7.910 0.201 19217 4991 1 14 . 1 1 15 15 ALA N N 15 124.756 124.756 124.542 0.214 19217 4992 1 14 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.137 -0.007 19217 4993 1 14 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.984 -0.146 19217 4994 1 14 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.252 0.513 19217 4995 1 14 . 1 1 15 15 ALA H H 15 8.248 8.248 7.663 0.585 19217 4996 1 14 . 1 1 16 16 LEU N N 16 116.067 116.067 119.651 -3.584 19217 4997 1 14 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.061 -0.022 19217 4998 1 14 . 1 1 16 16 LEU CA C 16 57.875 57.875 57.956 -0.081 19217 4999 1 14 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.784 -0.392 19217 5000 1 14 . 1 1 16 16 LEU H H 16 8.188 8.188 8.016 0.172 19217 5001 1 14 . 1 1 17 17 LYS N N 17 119.021 119.021 118.952 0.069 19217 5002 1 14 . 1 1 17 17 LYS HA H 17 3.829 3.829 4.016 -0.187 19217 5003 1 14 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.803 -0.877 19217 5004 1 14 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.354 -0.391 19217 5005 1 14 . 1 1 17 17 LYS H H 17 7.870 7.870 7.836 0.034 19217 5006 1 14 . 1 1 18 18 LYS N N 18 117.677 117.677 119.186 -1.509 19217 5007 1 14 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.151 -0.040 19217 5008 1 14 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.849 -0.145 19217 5009 1 14 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.254 -0.034 19217 5010 1 14 . 1 1 18 18 LYS H H 18 7.598 7.598 7.686 -0.088 19217 5011 1 14 . 1 1 19 19 LEU N N 19 117.430 117.430 121.689 -4.259 19217 5012 1 14 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.110 -0.035 19217 5013 1 14 . 1 1 19 19 LEU CA C 19 57.521 57.521 58.020 -0.499 19217 5014 1 14 . 1 1 19 19 LEU CB C 19 41.955 41.955 42.041 -0.086 19217 5015 1 14 . 1 1 19 19 LEU H H 19 7.594 7.594 8.209 -0.615 19217 5016 1 14 . 1 1 20 20 VAL N N 20 118.252 118.252 118.312 -0.060 19217 5017 1 14 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.784 -0.421 19217 5018 1 14 . 1 1 20 20 VAL CA C 20 66.046 66.046 65.122 0.924 19217 5019 1 14 . 1 1 20 20 VAL CB C 20 31.156 31.156 30.817 0.339 19217 5020 1 14 . 1 1 20 20 VAL H H 20 7.662 7.662 8.228 -0.566 19217 5021 1 14 . 1 1 21 21 ASP N N 21 119.557 119.557 118.710 0.847 19217 5022 1 14 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.537 -0.067 19217 5023 1 14 . 1 1 21 21 ASP CA C 21 56.646 56.646 55.932 0.714 19217 5024 1 14 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.979 -0.064 19217 5025 1 14 . 1 1 21 21 ASP H H 21 7.645 7.645 7.778 -0.133 19217 5026 1 14 . 1 1 22 22 LYS N N 22 117.493 117.493 118.555 -1.062 19217 5027 1 14 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.559 -0.004 19217 5028 1 14 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.409 0.862 19217 5029 1 14 . 1 1 22 22 LYS CB C 22 33.805 33.805 32.827 0.978 19217 5030 1 14 . 1 1 22 22 LYS H H 22 7.782 7.782 7.675 0.107 19217 5031 1 14 . 1 1 23 23 TYR N N 23 121.877 121.877 121.324 0.553 19217 5032 1 14 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.209 -0.510 19217 5033 1 14 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.375 1.001 19217 5034 1 14 . 1 1 23 23 TYR CB C 23 40.332 40.332 39.147 1.185 19217 5035 1 14 . 1 1 23 23 TYR H H 23 7.738 7.738 7.446 0.292 19217 5036 1 14 . 1 1 24 24 ARG N N 24 111.739 111.739 116.629 -4.890 19217 5037 1 14 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.376 -0.234 19217 5038 1 14 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.957 0.917 19217 5039 1 14 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.337 0.462 19217 5040 1 14 . 1 1 24 24 ARG H H 24 8.577 8.577 8.637 -0.060 19217 5041 1 14 . 1 1 25 25 ASN N N 25 113.359 113.359 117.350 -3.991 19217 5042 1 14 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.795 0.225 19217 5043 1 14 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.805 -1.490 19217 5044 1 14 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.773 0.101 19217 5045 1 14 . 1 1 25 25 ASN H H 25 7.711 7.711 7.779 -0.068 19217 5046 1 14 . 1 1 26 26 ASP N N 26 120.181 120.181 120.393 -0.212 19217 5047 1 14 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.925 0.006 19217 5048 1 14 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.275 0.321 19217 5049 1 14 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.696 -0.061 19217 5050 1 14 . 1 1 26 26 ASP H H 26 7.424 7.424 8.036 -0.612 19217 5051 1 14 . 1 1 27 27 GLU N N 27 126.678 126.678 124.597 2.081 19217 5052 1 14 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.991 -0.189 19217 5053 1 14 . 1 1 27 27 GLU CA C 27 59.190 59.190 58.492 0.698 19217 5054 1 14 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.359 0.400 19217 5055 1 14 . 1 1 27 27 GLU H H 27 9.073 9.073 8.910 0.163 19217 5056 1 14 . 1 1 28 28 HIS N N 28 118.927 118.927 119.685 -0.758 19217 5057 1 14 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.301 0.110 19217 5058 1 14 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.286 0.491 19217 5059 1 14 . 1 1 28 28 HIS CB C 28 27.817 27.817 30.022 -2.205 19217 5060 1 14 . 1 1 28 28 HIS H H 28 8.585 8.585 7.809 0.776 19217 5061 1 14 . 1 1 29 29 VAL N N 29 120.860 120.860 118.972 1.888 19217 5062 1 14 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.776 -0.336 19217 5063 1 14 . 1 1 29 29 VAL CA C 29 66.677 66.677 64.818 1.859 19217 5064 1 14 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.663 -0.159 19217 5065 1 14 . 1 1 29 29 VAL H H 29 7.811 7.811 7.944 -0.133 19217 5066 1 14 . 1 1 30 30 ARG N N 30 119.042 119.042 119.113 -0.071 19217 5067 1 14 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.456 0.420 19217 5068 1 14 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.843 0.430 19217 5069 1 14 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.346 0.709 19217 5070 1 14 . 1 1 30 30 ARG H H 30 7.919 7.919 7.491 0.428 19217 5071 1 14 . 1 1 31 31 LYS N N 31 116.630 116.630 118.628 -1.998 19217 5072 1 14 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.106 0.020 19217 5073 1 14 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.279 0.306 19217 5074 1 14 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.822 0.641 19217 5075 1 14 . 1 1 31 31 LYS H H 31 7.583 7.583 7.440 0.143 19217 5076 1 14 . 1 1 32 32 VAL N N 32 118.507 118.507 120.747 -2.240 19217 5077 1 14 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.865 -0.080 19217 5078 1 14 . 1 1 32 32 VAL CA C 32 66.099 66.099 65.129 0.970 19217 5079 1 14 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.328 0.942 19217 5080 1 14 . 1 1 32 32 VAL H H 32 7.576 7.576 7.386 0.190 19217 5081 1 14 . 1 1 33 33 PHE N N 33 120.874 120.874 120.024 0.850 19217 5082 1 14 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.237 0.039 19217 5083 1 14 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.380 0.135 19217 5084 1 14 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.343 0.010 19217 5085 1 14 . 1 1 33 33 PHE H H 33 9.246 9.246 8.981 0.265 19217 5086 1 14 . 1 1 34 34 ASP N N 34 119.331 119.331 120.896 -1.565 19217 5087 1 14 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.489 0.039 19217 5088 1 14 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.688 0.920 19217 5089 1 14 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.914 -0.993 19217 5090 1 14 . 1 1 34 34 ASP H H 34 9.507 9.507 8.373 1.134 19217 5091 1 14 . 1 1 35 35 GLU N N 35 118.378 118.378 119.307 -0.929 19217 5092 1 14 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.131 0.070 19217 5093 1 14 . 1 1 35 35 GLU CA C 35 59.722 59.722 58.968 0.754 19217 5094 1 14 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.340 0.219 19217 5095 1 14 . 1 1 35 35 GLU H H 35 7.334 7.334 7.662 -0.328 19217 5096 1 14 . 1 1 36 36 ILE N N 36 119.241 119.241 121.614 -2.373 19217 5097 1 14 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.642 -0.199 19217 5098 1 14 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.197 1.564 19217 5099 1 14 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.702 0.750 19217 5100 1 14 . 1 1 36 36 ILE H H 36 8.054 8.054 7.647 0.407 19217 5101 1 14 . 1 1 37 37 GLN N N 37 117.541 117.541 119.123 -1.582 19217 5102 1 14 . 1 1 37 37 GLN HA H 37 4.405 4.405 4.113 0.292 19217 5103 1 14 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.332 0.684 19217 5104 1 14 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.895 -0.512 19217 5105 1 14 . 1 1 37 37 GLN H H 37 8.517 8.517 8.605 -0.088 19217 5106 1 14 . 1 1 38 38 GLN N N 38 113.900 113.900 118.242 -4.342 19217 5107 1 14 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.162 0.082 19217 5108 1 14 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.382 0.140 19217 5109 1 14 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.778 1.417 19217 5110 1 14 . 1 1 38 38 GLN H H 38 8.023 8.023 7.853 0.170 19217 5111 1 14 . 1 1 39 39 LYS N N 39 117.850 117.850 119.820 -1.970 19217 5112 1 14 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.962 0.194 19217 5113 1 14 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.049 -0.166 19217 5114 1 14 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.088 0.831 19217 5115 1 14 . 1 1 39 39 LYS H H 39 8.480 8.480 8.251 0.229 19217 5116 1 14 . 1 1 40 40 LEU N N 40 114.726 114.726 115.947 -1.221 19217 5117 1 14 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.446 -0.263 19217 5118 1 14 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.081 0.149 19217 5119 1 14 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.854 -1.065 19217 5120 1 14 . 1 1 40 40 LEU H H 40 8.427 8.427 7.924 0.503 19217 5121 1 14 . 1 1 41 41 HIS N N 41 115.299 115.299 113.597 1.702 19217 5122 1 14 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.214 -0.769 19217 5123 1 14 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.422 -2.699 19217 5124 1 14 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.845 -0.627 19217 5125 1 14 . 1 1 41 41 HIS H H 41 7.466 7.466 7.366 0.100 19217 5126 1 14 . 1 1 42 42 CYS N N 42 116.999 116.999 111.093 5.906 19217 5127 1 14 . 1 1 42 42 CYS HA H 42 5.064 5.064 5.240 -0.176 19217 5128 1 14 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.159 -2.326 19217 5129 1 14 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.465 16.313 19217 5130 1 14 . 1 1 42 42 CYS H H 42 8.205 8.205 7.887 0.318 19217 5131 1 14 . 1 1 43 43 CYS N N 43 117.175 117.175 121.409 -4.234 19217 5132 1 14 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.018 0.124 19217 5133 1 14 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.227 -3.786 19217 5134 1 14 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.840 13.088 19217 5135 1 14 . 1 1 43 43 CYS H H 43 9.131 9.131 8.420 0.711 19217 5136 1 14 . 1 1 44 44 GLY N N 44 113.879 113.879 114.610 -0.731 19217 5137 1 14 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.280 -1.730 19217 5138 1 14 . 1 1 44 44 GLY H H 44 8.913 8.913 8.592 0.321 19217 5139 1 14 . 1 1 45 45 ALA N N 45 122.305 122.305 122.419 -0.114 19217 5140 1 14 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.381 0.143 19217 5141 1 14 . 1 1 45 45 ALA CA C 45 53.824 53.824 54.812 -0.988 19217 5142 1 14 . 1 1 45 45 ALA CB C 45 18.722 18.722 20.223 -1.501 19217 5143 1 14 . 1 1 45 45 ALA H H 45 9.057 9.057 8.424 0.633 19217 5144 1 14 . 1 1 46 46 ASP N N 46 119.678 119.678 112.949 6.729 19217 5145 1 14 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.659 -0.046 19217 5146 1 14 . 1 1 46 46 ASP CA C 46 57.097 57.097 55.222 1.875 19217 5147 1 14 . 1 1 46 46 ASP CB C 46 42.478 42.478 42.779 -0.301 19217 5148 1 14 . 1 1 46 46 ASP H H 46 9.741 9.741 8.613 1.128 19217 5149 1 14 . 1 1 47 47 SER N N 47 112.389 112.389 112.752 -0.363 19217 5150 1 14 . 1 1 47 47 SER HA H 47 4.654 4.654 4.852 -0.198 19217 5151 1 14 . 1 1 47 47 SER CA C 47 57.626 57.626 56.614 1.012 19217 5152 1 14 . 1 1 47 47 SER CB C 47 64.037 64.037 64.928 -0.891 19217 5153 1 14 . 1 1 47 47 SER H H 47 7.798 7.798 7.510 0.288 19217 5154 1 14 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.452 -0.307 19217 5155 1 14 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.160 0.970 19217 5156 1 14 . 1 1 48 48 PRO CB C 48 32.347 32.347 31.923 0.424 19217 5157 1 14 . 1 1 49 49 LYS N N 49 115.074 115.074 116.557 -1.483 19217 5158 1 14 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.153 0.064 19217 5159 1 14 . 1 1 49 49 LYS CA C 49 57.299 57.299 57.554 -0.255 19217 5160 1 14 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.298 -0.385 19217 5161 1 14 . 1 1 49 49 LYS H H 49 8.151 8.151 7.962 0.189 19217 5162 1 14 . 1 1 50 50 ASP N N 50 122.818 122.818 119.330 3.488 19217 5163 1 14 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.268 0.044 19217 5164 1 14 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.605 0.644 19217 5165 1 14 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.647 0.834 19217 5166 1 14 . 1 1 50 50 ASP H H 50 8.149 8.149 7.594 0.555 19217 5167 1 14 . 1 1 51 51 TYR N N 51 114.312 114.312 117.392 -3.080 19217 5168 1 14 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.250 0.126 19217 5169 1 14 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.672 -0.836 19217 5170 1 14 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.068 -0.164 19217 5171 1 14 . 1 1 51 51 TYR H H 51 7.260 7.260 7.292 -0.032 19217 5172 1 14 . 1 1 52 52 GLY N N 52 109.793 109.793 106.981 2.812 19217 5173 1 14 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.474 0.365 19217 5174 1 14 . 1 1 52 52 GLY H H 52 7.967 7.967 7.702 0.265 19217 5175 1 14 . 1 1 53 53 GLU N N 53 123.571 123.571 122.294 1.277 19217 5176 1 14 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.492 -0.290 19217 5177 1 14 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.158 0.946 19217 5178 1 14 . 1 1 53 53 GLU CB C 53 30.020 30.020 30.116 -0.096 19217 5179 1 14 . 1 1 53 53 GLU H H 53 8.788 8.788 8.518 0.270 19217 5180 1 14 . 1 1 54 54 ASN N N 54 115.160 115.160 118.889 -3.729 19217 5181 1 14 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.934 0.288 19217 5182 1 14 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.139 -1.175 19217 5183 1 14 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.336 1.064 19217 5184 1 14 . 1 1 54 54 ASN H H 54 7.853 7.853 8.342 -0.489 19217 5185 1 14 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.152 -0.106 19217 5186 1 14 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.498 -0.210 19217 5187 1 14 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.014 -0.343 19217 5188 1 14 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.317 0.216 19217 5189 1 14 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.074 -0.380 19217 5190 1 14 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.258 1.199 19217 5191 1 14 . 1 1 57 57 THR N N 57 116.449 116.449 114.242 2.207 19217 5192 1 14 . 1 1 57 57 THR HA H 57 3.832 3.832 3.917 -0.085 19217 5193 1 14 . 1 1 57 57 THR CA C 57 65.318 65.318 65.152 0.166 19217 5194 1 14 . 1 1 57 57 THR CB C 57 68.433 68.433 68.726 -0.293 19217 5195 1 14 . 1 1 57 57 THR H H 57 8.894 8.894 8.702 0.192 19217 5196 1 14 . 1 1 58 58 SER N N 58 113.767 113.767 116.412 -2.645 19217 5197 1 14 . 1 1 58 58 SER HA H 58 4.409 4.409 4.379 0.030 19217 5198 1 14 . 1 1 58 58 SER CA C 58 59.123 59.123 61.081 -1.958 19217 5199 1 14 . 1 1 58 58 SER CB C 58 62.669 62.669 62.233 0.436 19217 5200 1 14 . 1 1 58 58 SER H H 58 7.839 7.839 8.482 -0.643 19217 5201 1 14 . 1 1 59 59 CYS N N 59 117.062 117.062 122.449 -5.387 19217 5202 1 14 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.486 0.296 19217 5203 1 14 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.280 1.632 19217 5204 1 14 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.702 19.115 19217 5205 1 14 . 1 1 59 59 CYS H H 59 7.397 7.397 7.662 -0.265 19217 5206 1 14 . 1 1 60 60 SER N N 60 112.368 112.368 112.370 -0.002 19217 5207 1 14 . 1 1 60 60 SER HA H 60 4.258 4.258 4.729 -0.471 19217 5208 1 14 . 1 1 60 60 SER CA C 60 56.925 56.925 56.360 0.565 19217 5209 1 14 . 1 1 60 60 SER CB C 60 67.049 67.049 65.892 1.157 19217 5210 1 14 . 1 1 60 60 SER H H 60 7.486 7.486 7.347 0.139 19217 5211 1 14 . 1 1 61 61 LYS N N 61 120.402 120.402 122.096 -1.694 19217 5212 1 14 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.530 -0.139 19217 5213 1 14 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.280 -0.963 19217 5214 1 14 . 1 1 61 61 LYS CB C 61 35.944 35.944 35.118 0.826 19217 5215 1 14 . 1 1 61 61 LYS H H 61 7.918 7.918 8.332 -0.414 19217 5216 1 14 . 1 1 62 62 ASP N N 62 128.253 128.253 124.602 3.651 19217 5217 1 14 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.370 -0.090 19217 5218 1 14 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.310 0.389 19217 5219 1 14 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.011 -0.489 19217 5220 1 14 . 1 1 62 62 ASP H H 62 9.517 9.517 8.888 0.629 19217 5221 1 14 . 1 1 63 63 GLY N N 63 103.421 103.421 105.038 -1.617 19217 5222 1 14 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.381 -0.179 19217 5223 1 14 . 1 1 63 63 GLY H H 63 8.597 8.597 8.384 0.213 19217 5224 1 14 . 1 1 64 64 VAL N N 64 122.304 122.304 119.352 2.952 19217 5225 1 14 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.314 -0.255 19217 5226 1 14 . 1 1 64 64 VAL CA C 64 61.642 61.642 59.922 1.720 19217 5227 1 14 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.366 -2.083 19217 5228 1 14 . 1 1 64 64 VAL H H 64 7.630 7.630 7.140 0.490 19217 5229 1 14 . 1 1 65 65 GLN N N 65 126.376 126.376 123.587 2.789 19217 5230 1 14 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.257 -0.134 19217 5231 1 14 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.230 0.754 19217 5232 1 14 . 1 1 65 65 GLN CB C 65 30.137 30.137 31.119 -0.983 19217 5233 1 14 . 1 1 65 65 GLN H H 65 8.366 8.366 8.375 -0.009 19217 5234 1 14 . 1 1 66 66 PHE N N 66 126.770 126.770 125.677 1.093 19217 5235 1 14 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.573 0.352 19217 5236 1 14 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.822 -1.380 19217 5237 1 14 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.001 -0.409 19217 5238 1 14 . 1 1 66 66 PHE H H 66 8.606 8.606 8.221 0.385 19217 5239 1 14 . 1 1 67 67 THR N N 67 110.796 110.796 113.163 -2.367 19217 5240 1 14 . 1 1 67 67 THR HA H 67 4.378 4.378 4.419 -0.041 19217 5241 1 14 . 1 1 67 67 THR CA C 67 62.290 62.290 61.571 0.719 19217 5242 1 14 . 1 1 67 67 THR CB C 67 69.730 69.730 69.106 0.624 19217 5243 1 14 . 1 1 67 67 THR H H 67 8.105 8.105 8.306 -0.201 19217 5244 1 14 . 1 1 68 68 GLU N N 68 122.415 122.415 120.299 2.116 19217 5245 1 14 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.610 0.026 19217 5246 1 14 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.367 0.902 19217 5247 1 14 . 1 1 68 68 GLU CB C 68 32.089 32.089 31.882 0.207 19217 5248 1 14 . 1 1 68 68 GLU H H 68 8.171 8.171 7.850 0.321 19217 5249 1 14 . 1 1 69 69 GLY N N 69 109.155 109.155 108.750 0.405 19217 5250 1 14 . 1 1 69 69 GLY CA C 69 44.361 44.361 45.381 -1.020 19217 5251 1 14 . 1 1 69 69 GLY H H 69 8.870 8.870 8.636 0.234 19217 5252 1 14 . 1 1 70 70 CYS N N 70 116.376 116.376 118.426 -2.050 19217 5253 1 14 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.729 -0.284 19217 5254 1 14 . 1 1 70 70 CYS CA C 70 56.449 56.449 60.202 -3.753 19217 5255 1 14 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.743 13.048 19217 5256 1 14 . 1 1 70 70 CYS H H 70 8.335 8.335 8.183 0.152 19217 5257 1 14 . 1 1 71 71 ILE N N 71 121.812 121.812 121.042 0.770 19217 5258 1 14 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.548 -0.029 19217 5259 1 14 . 1 1 71 71 ILE CA C 71 66.807 66.807 65.991 0.816 19217 5260 1 14 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.640 -0.814 19217 5261 1 14 . 1 1 71 71 ILE H H 71 9.129 9.129 8.568 0.561 19217 5262 1 14 . 1 1 72 72 LYS N N 72 121.424 121.424 116.381 5.043 19217 5263 1 14 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.223 -0.208 19217 5264 1 14 . 1 1 72 72 LYS CA C 72 59.203 59.203 57.648 1.555 19217 5265 1 14 . 1 1 72 72 LYS CB C 72 32.083 32.083 31.736 0.347 19217 5266 1 14 . 1 1 72 72 LYS H H 72 8.179 8.179 8.331 -0.152 19217 5267 1 14 . 1 1 73 73 LYS N N 73 115.131 115.131 119.976 -4.845 19217 5268 1 14 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.224 -0.041 19217 5269 1 14 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.331 -0.590 19217 5270 1 14 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.482 -0.300 19217 5271 1 14 . 1 1 73 73 LYS H H 73 7.287 7.287 7.742 -0.455 19217 5272 1 14 . 1 1 74 74 VAL N N 74 117.637 117.637 115.816 1.821 19217 5273 1 14 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.649 -0.017 19217 5274 1 14 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.278 -0.339 19217 5275 1 14 . 1 1 74 74 VAL CB C 74 31.432 31.432 31.233 0.199 19217 5276 1 14 . 1 1 74 74 VAL H H 74 8.398 8.398 8.496 -0.098 19217 5277 1 14 . 1 1 75 75 SER N N 75 117.090 117.090 116.217 0.873 19217 5278 1 14 . 1 1 75 75 SER HA H 75 4.144 4.144 4.124 0.020 19217 5279 1 14 . 1 1 75 75 SER CA C 75 61.816 61.816 61.281 0.535 19217 5280 1 14 . 1 1 75 75 SER CB C 75 62.840 62.840 62.602 0.238 19217 5281 1 14 . 1 1 75 75 SER H H 75 8.249 8.249 7.662 0.587 19217 5282 1 14 . 1 1 76 76 ASP N N 76 121.102 121.102 122.724 -1.622 19217 5283 1 14 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.464 0.012 19217 5284 1 14 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.086 -0.669 19217 5285 1 14 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.669 -0.233 19217 5286 1 14 . 1 1 76 76 ASP H H 76 8.240 8.240 7.557 0.683 19217 5287 1 14 . 1 1 77 77 LEU N N 77 119.967 119.967 116.852 3.115 19217 5288 1 14 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.296 -0.085 19217 5289 1 14 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.476 -0.816 19217 5290 1 14 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.765 0.451 19217 5291 1 14 . 1 1 77 77 LEU H H 77 7.728 7.728 7.597 0.131 19217 5292 1 14 . 1 1 78 78 SER N N 78 113.729 113.729 117.668 -3.939 19217 5293 1 14 . 1 1 78 78 SER HA H 78 4.379 4.379 4.164 0.215 19217 5294 1 14 . 1 1 78 78 SER CA C 78 59.286 59.286 60.982 -1.696 19217 5295 1 14 . 1 1 78 78 SER CB C 78 63.761 63.761 63.165 0.596 19217 5296 1 14 . 1 1 78 78 SER H H 78 7.873 7.873 7.826 0.047 19217 5297 1 14 . 1 1 79 79 LYS N N 79 121.616 121.616 119.110 2.506 19217 5298 1 14 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.424 -0.136 19217 5299 1 14 . 1 1 79 79 LYS CA C 79 56.416 56.416 55.197 1.218 19217 5300 1 14 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.292 0.549 19217 5301 1 14 . 1 1 79 79 LYS H H 79 7.741 7.741 7.489 0.252 19217 5302 1 14 . 1 1 80 80 ALA N N 80 124.562 124.562 122.567 1.995 19217 5303 1 14 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.317 -0.043 19217 5304 1 14 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.178 0.435 19217 5305 1 14 . 1 1 80 80 ALA CB C 80 19.270 19.270 20.087 -0.817 19217 5306 1 14 . 1 1 80 80 ALA H H 80 8.044 8.044 7.427 0.617 19217 5307 1 15 . 1 1 2 2 SER N N 2 115.654 115.654 113.782 1.872 19217 5308 1 15 . 1 1 2 2 SER HA H 2 4.496 4.496 4.617 -0.121 19217 5309 1 15 . 1 1 2 2 SER CA C 2 58.438 58.438 58.716 -0.278 19217 5310 1 15 . 1 1 2 2 SER CB C 2 63.859 63.859 64.823 -0.964 19217 5311 1 15 . 1 1 2 2 SER H H 2 8.716 8.716 8.580 0.136 19217 5312 1 15 . 1 1 3 3 ASN N N 3 120.885 120.885 118.502 2.383 19217 5313 1 15 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.736 -0.008 19217 5314 1 15 . 1 1 3 3 ASN CA C 3 53.319 53.319 52.506 0.813 19217 5315 1 15 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.560 -0.913 19217 5316 1 15 . 1 1 3 3 ASN H H 3 8.703 8.703 7.779 0.924 19217 5317 1 15 . 1 1 4 4 GLU N N 4 120.920 120.920 119.088 1.832 19217 5318 1 15 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.104 0.168 19217 5319 1 15 . 1 1 4 4 GLU CA C 4 56.434 56.434 57.426 -0.992 19217 5320 1 15 . 1 1 4 4 GLU CB C 4 30.469 30.469 28.721 1.748 19217 5321 1 15 . 1 1 4 4 GLU H H 4 8.261 8.261 8.572 -0.311 19217 5322 1 15 . 1 1 5 5 LYS N N 5 124.113 124.113 121.268 2.845 19217 5323 1 15 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.676 -0.128 19217 5324 1 15 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.646 -0.016 19217 5325 1 15 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.786 -0.692 19217 5326 1 15 . 1 1 5 5 LYS H H 5 8.452 8.452 8.175 0.277 19217 5327 1 15 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.574 -0.192 19217 5328 1 15 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.481 0.885 19217 5329 1 15 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.686 -0.553 19217 5330 1 15 . 1 1 7 7 LYS N N 7 121.721 121.721 120.275 1.446 19217 5331 1 15 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.592 -0.310 19217 5332 1 15 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.995 0.585 19217 5333 1 15 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.478 0.511 19217 5334 1 15 . 1 1 7 7 LYS H H 7 8.449 8.449 8.300 0.149 19217 5335 1 15 . 1 1 8 8 VAL N N 8 121.294 121.294 123.331 -2.037 19217 5336 1 15 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.494 -0.464 19217 5337 1 15 . 1 1 8 8 VAL CA C 8 62.751 62.751 60.764 1.987 19217 5338 1 15 . 1 1 8 8 VAL CB C 8 32.778 32.778 34.973 -2.195 19217 5339 1 15 . 1 1 8 8 VAL H H 8 8.062 8.062 8.536 -0.474 19217 5340 1 15 . 1 1 9 9 LYS N N 9 125.108 125.108 123.364 1.744 19217 5341 1 15 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.346 -0.145 19217 5342 1 15 . 1 1 9 9 LYS CA C 9 57.275 57.275 57.897 -0.622 19217 5343 1 15 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.356 0.526 19217 5344 1 15 . 1 1 9 9 LYS H H 9 8.429 8.429 8.590 -0.161 19217 5345 1 15 . 1 1 10 10 LYS N N 10 122.428 122.428 117.790 4.638 19217 5346 1 15 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.381 -0.181 19217 5347 1 15 . 1 1 10 10 LYS CA C 10 57.424 57.424 57.048 0.376 19217 5348 1 15 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.511 1.397 19217 5349 1 15 . 1 1 10 10 LYS H H 10 8.322 8.322 8.253 0.069 19217 5350 1 15 . 1 1 11 11 HIS N N 11 119.909 119.909 121.329 -1.420 19217 5351 1 15 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.409 0.202 19217 5352 1 15 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.359 -1.365 19217 5353 1 15 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.851 -0.242 19217 5354 1 15 . 1 1 11 11 HIS H H 11 8.402 8.402 7.754 0.648 19217 5355 1 15 . 1 1 12 12 ILE N N 12 121.819 121.819 118.634 3.185 19217 5356 1 15 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.736 0.123 19217 5357 1 15 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.402 -2.037 19217 5358 1 15 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.539 0.816 19217 5359 1 15 . 1 1 12 12 ILE H H 12 8.152 8.152 7.514 0.638 19217 5360 1 15 . 1 1 13 13 THR N N 13 116.420 116.420 113.739 2.681 19217 5361 1 15 . 1 1 13 13 THR HA H 13 3.933 3.933 3.938 -0.005 19217 5362 1 15 . 1 1 13 13 THR CA C 13 64.847 64.847 66.141 -1.294 19217 5363 1 15 . 1 1 13 13 THR CB C 13 68.899 68.899 68.311 0.588 19217 5364 1 15 . 1 1 13 13 THR H H 13 8.095 8.095 8.168 -0.073 19217 5365 1 15 . 1 1 14 14 SER N N 14 116.367 116.367 116.481 -0.114 19217 5366 1 15 . 1 1 14 14 SER HA H 14 4.230 4.230 4.281 -0.051 19217 5367 1 15 . 1 1 14 14 SER CA C 14 60.111 60.111 60.967 -0.856 19217 5368 1 15 . 1 1 14 14 SER CB C 14 63.317 63.317 62.857 0.460 19217 5369 1 15 . 1 1 14 14 SER H H 14 8.111 8.111 7.781 0.330 19217 5370 1 15 . 1 1 15 15 ALA N N 15 124.756 124.756 124.900 -0.144 19217 5371 1 15 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.217 -0.087 19217 5372 1 15 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.994 -0.156 19217 5373 1 15 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.377 0.388 19217 5374 1 15 . 1 1 15 15 ALA H H 15 8.248 8.248 7.948 0.300 19217 5375 1 15 . 1 1 16 16 LEU N N 16 116.067 116.067 119.356 -3.289 19217 5376 1 15 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.235 -0.196 19217 5377 1 15 . 1 1 16 16 LEU CA C 16 57.875 57.875 57.884 -0.009 19217 5378 1 15 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.728 -0.336 19217 5379 1 15 . 1 1 16 16 LEU H H 16 8.188 8.188 8.017 0.171 19217 5380 1 15 . 1 1 17 17 LYS N N 17 119.021 119.021 119.110 -0.089 19217 5381 1 15 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.907 -0.078 19217 5382 1 15 . 1 1 17 17 LYS CA C 17 58.926 58.926 60.009 -1.083 19217 5383 1 15 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.113 -0.150 19217 5384 1 15 . 1 1 17 17 LYS H H 17 7.870 7.870 7.945 -0.075 19217 5385 1 15 . 1 1 18 18 LYS N N 18 117.677 117.677 118.550 -0.873 19217 5386 1 15 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.150 -0.039 19217 5387 1 15 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.928 -0.224 19217 5388 1 15 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.444 -0.224 19217 5389 1 15 . 1 1 18 18 LYS H H 18 7.598 7.598 7.509 0.089 19217 5390 1 15 . 1 1 19 19 LEU N N 19 117.430 117.430 120.996 -3.566 19217 5391 1 15 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.882 0.193 19217 5392 1 15 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.889 -0.368 19217 5393 1 15 . 1 1 19 19 LEU CB C 19 41.955 41.955 42.013 -0.058 19217 5394 1 15 . 1 1 19 19 LEU H H 19 7.594 7.594 7.571 0.023 19217 5395 1 15 . 1 1 20 20 VAL N N 20 118.252 118.252 114.872 3.380 19217 5396 1 15 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.258 0.105 19217 5397 1 15 . 1 1 20 20 VAL CA C 20 66.046 66.046 65.162 0.884 19217 5398 1 15 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.960 -0.804 19217 5399 1 15 . 1 1 20 20 VAL H H 20 7.662 7.662 7.566 0.096 19217 5400 1 15 . 1 1 21 21 ASP N N 21 119.557 119.557 120.429 -0.872 19217 5401 1 15 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.474 -0.004 19217 5402 1 15 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.339 0.307 19217 5403 1 15 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.995 -0.079 19217 5404 1 15 . 1 1 21 21 ASP H H 21 7.645 7.645 7.524 0.121 19217 5405 1 15 . 1 1 22 22 LYS N N 22 117.493 117.493 118.589 -1.096 19217 5406 1 15 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.524 0.031 19217 5407 1 15 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.247 1.024 19217 5408 1 15 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.870 1.935 19217 5409 1 15 . 1 1 22 22 LYS H H 22 7.782 7.782 8.222 -0.440 19217 5410 1 15 . 1 1 23 23 TYR N N 23 121.877 121.877 121.688 0.189 19217 5411 1 15 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.093 -0.394 19217 5412 1 15 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.215 1.161 19217 5413 1 15 . 1 1 23 23 TYR CB C 23 40.332 40.332 39.081 1.251 19217 5414 1 15 . 1 1 23 23 TYR H H 23 7.738 7.738 7.269 0.469 19217 5415 1 15 . 1 1 24 24 ARG N N 24 111.739 111.739 117.398 -5.659 19217 5416 1 15 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.255 -0.113 19217 5417 1 15 . 1 1 24 24 ARG CA C 24 57.874 57.874 57.111 0.763 19217 5418 1 15 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.625 0.174 19217 5419 1 15 . 1 1 24 24 ARG H H 24 8.577 8.577 8.703 -0.126 19217 5420 1 15 . 1 1 25 25 ASN N N 25 113.359 113.359 117.587 -4.228 19217 5421 1 15 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.765 0.255 19217 5422 1 15 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.467 -1.151 19217 5423 1 15 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.216 0.658 19217 5424 1 15 . 1 1 25 25 ASN H H 25 7.711 7.711 7.635 0.076 19217 5425 1 15 . 1 1 26 26 ASP N N 26 120.181 120.181 119.796 0.385 19217 5426 1 15 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.878 0.053 19217 5427 1 15 . 1 1 26 26 ASP CA C 26 53.596 53.596 52.576 1.020 19217 5428 1 15 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.080 0.555 19217 5429 1 15 . 1 1 26 26 ASP H H 26 7.424 7.424 7.742 -0.318 19217 5430 1 15 . 1 1 27 27 GLU N N 27 126.678 126.678 126.000 0.678 19217 5431 1 15 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.878 -0.076 19217 5432 1 15 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.799 -0.609 19217 5433 1 15 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.264 0.495 19217 5434 1 15 . 1 1 27 27 GLU H H 27 9.073 9.073 8.865 0.208 19217 5435 1 15 . 1 1 28 28 HIS N N 28 118.927 118.927 117.888 1.039 19217 5436 1 15 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.326 0.085 19217 5437 1 15 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.434 0.343 19217 5438 1 15 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.555 -1.738 19217 5439 1 15 . 1 1 28 28 HIS H H 28 8.585 8.585 8.650 -0.065 19217 5440 1 15 . 1 1 29 29 VAL N N 29 120.860 120.860 118.410 2.450 19217 5441 1 15 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.790 -0.350 19217 5442 1 15 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.971 0.706 19217 5443 1 15 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.632 -0.128 19217 5444 1 15 . 1 1 29 29 VAL H H 29 7.811 7.811 7.435 0.376 19217 5445 1 15 . 1 1 30 30 ARG N N 30 119.042 119.042 120.159 -1.117 19217 5446 1 15 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.848 0.028 19217 5447 1 15 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.961 0.313 19217 5448 1 15 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.748 0.306 19217 5449 1 15 . 1 1 30 30 ARG H H 30 7.919 7.919 7.864 0.055 19217 5450 1 15 . 1 1 31 31 LYS N N 31 116.630 116.630 118.625 -1.995 19217 5451 1 15 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.062 0.064 19217 5452 1 15 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.330 0.255 19217 5453 1 15 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.790 0.673 19217 5454 1 15 . 1 1 31 31 LYS H H 31 7.583 7.583 7.699 -0.116 19217 5455 1 15 . 1 1 32 32 VAL N N 32 118.507 118.507 120.553 -2.046 19217 5456 1 15 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.842 -0.057 19217 5457 1 15 . 1 1 32 32 VAL CA C 32 66.099 66.099 65.535 0.564 19217 5458 1 15 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.662 0.608 19217 5459 1 15 . 1 1 32 32 VAL H H 32 7.576 7.576 7.463 0.113 19217 5460 1 15 . 1 1 33 33 PHE N N 33 120.874 120.874 119.985 0.889 19217 5461 1 15 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.158 0.118 19217 5462 1 15 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.853 -0.339 19217 5463 1 15 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.278 0.075 19217 5464 1 15 . 1 1 33 33 PHE H H 33 9.246 9.246 8.964 0.282 19217 5465 1 15 . 1 1 34 34 ASP N N 34 119.331 119.331 120.452 -1.121 19217 5466 1 15 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.444 0.084 19217 5467 1 15 . 1 1 34 34 ASP CA C 34 58.608 58.608 58.100 0.508 19217 5468 1 15 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.791 -0.870 19217 5469 1 15 . 1 1 34 34 ASP H H 34 9.507 9.507 8.599 0.908 19217 5470 1 15 . 1 1 35 35 GLU N N 35 118.378 118.378 119.595 -1.217 19217 5471 1 15 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.110 0.091 19217 5472 1 15 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.054 0.668 19217 5473 1 15 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.467 0.092 19217 5474 1 15 . 1 1 35 35 GLU H H 35 7.334 7.334 7.677 -0.343 19217 5475 1 15 . 1 1 36 36 ILE N N 36 119.241 119.241 120.777 -1.536 19217 5476 1 15 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.547 -0.104 19217 5477 1 15 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.422 1.339 19217 5478 1 15 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.524 0.928 19217 5479 1 15 . 1 1 36 36 ILE H H 36 8.054 8.054 7.959 0.095 19217 5480 1 15 . 1 1 37 37 GLN N N 37 117.541 117.541 118.646 -1.105 19217 5481 1 15 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.898 0.507 19217 5482 1 15 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.107 0.909 19217 5483 1 15 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.645 -0.262 19217 5484 1 15 . 1 1 37 37 GLN H H 37 8.517 8.517 8.048 0.469 19217 5485 1 15 . 1 1 38 38 GLN N N 38 113.900 113.900 118.321 -4.421 19217 5486 1 15 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.120 0.124 19217 5487 1 15 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.327 0.195 19217 5488 1 15 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.735 1.460 19217 5489 1 15 . 1 1 38 38 GLN H H 38 8.023 8.023 7.592 0.431 19217 5490 1 15 . 1 1 39 39 LYS N N 39 117.850 117.850 119.788 -1.938 19217 5491 1 15 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.922 0.234 19217 5492 1 15 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.042 -0.159 19217 5493 1 15 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.077 0.842 19217 5494 1 15 . 1 1 39 39 LYS H H 39 8.480 8.480 8.262 0.218 19217 5495 1 15 . 1 1 40 40 LEU N N 40 114.726 114.726 115.733 -1.007 19217 5496 1 15 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.433 -0.250 19217 5497 1 15 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.074 0.156 19217 5498 1 15 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.580 -0.791 19217 5499 1 15 . 1 1 40 40 LEU H H 40 8.427 8.427 7.932 0.495 19217 5500 1 15 . 1 1 41 41 HIS N N 41 115.299 115.299 114.097 1.202 19217 5501 1 15 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.225 -0.780 19217 5502 1 15 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.618 -2.895 19217 5503 1 15 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.640 -0.422 19217 5504 1 15 . 1 1 41 41 HIS H H 41 7.466 7.466 7.404 0.062 19217 5505 1 15 . 1 1 42 42 CYS N N 42 116.999 116.999 111.419 5.580 19217 5506 1 15 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.991 0.073 19217 5507 1 15 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.425 -2.592 19217 5508 1 15 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.392 16.386 19217 5509 1 15 . 1 1 42 42 CYS H H 42 8.205 8.205 8.014 0.191 19217 5510 1 15 . 1 1 43 43 CYS N N 43 117.175 117.175 120.417 -3.242 19217 5511 1 15 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.210 -0.068 19217 5512 1 15 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.402 -3.961 19217 5513 1 15 . 1 1 43 43 CYS CB C 43 42.928 42.928 30.218 12.710 19217 5514 1 15 . 1 1 43 43 CYS H H 43 9.131 9.131 8.245 0.886 19217 5515 1 15 . 1 1 44 44 GLY N N 44 113.879 113.879 112.682 1.197 19217 5516 1 15 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.783 -2.233 19217 5517 1 15 . 1 1 44 44 GLY H H 44 8.913 8.913 8.751 0.162 19217 5518 1 15 . 1 1 45 45 ALA N N 45 122.305 122.305 122.887 -0.582 19217 5519 1 15 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.263 0.261 19217 5520 1 15 . 1 1 45 45 ALA CA C 45 53.824 53.824 54.805 -0.981 19217 5521 1 15 . 1 1 45 45 ALA CB C 45 18.722 18.722 20.089 -1.367 19217 5522 1 15 . 1 1 45 45 ALA H H 45 9.057 9.057 8.106 0.951 19217 5523 1 15 . 1 1 46 46 ASP N N 46 119.678 119.678 114.850 4.828 19217 5524 1 15 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.970 -0.357 19217 5525 1 15 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.546 2.551 19217 5526 1 15 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.350 -0.872 19217 5527 1 15 . 1 1 46 46 ASP H H 46 9.741 9.741 8.036 1.705 19217 5528 1 15 . 1 1 47 47 SER N N 47 112.389 112.389 112.823 -0.434 19217 5529 1 15 . 1 1 47 47 SER HA H 47 4.654 4.654 4.911 -0.257 19217 5530 1 15 . 1 1 47 47 SER CA C 47 57.626 57.626 56.972 0.654 19217 5531 1 15 . 1 1 47 47 SER CB C 47 64.037 64.037 64.555 -0.518 19217 5532 1 15 . 1 1 47 47 SER H H 47 7.798 7.798 7.551 0.247 19217 5533 1 15 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.501 -0.356 19217 5534 1 15 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.532 0.598 19217 5535 1 15 . 1 1 48 48 PRO CB C 48 32.347 32.347 31.950 0.397 19217 5536 1 15 . 1 1 49 49 LYS N N 49 115.074 115.074 116.264 -1.190 19217 5537 1 15 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.140 0.077 19217 5538 1 15 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.037 -0.738 19217 5539 1 15 . 1 1 49 49 LYS CB C 49 30.913 30.913 30.902 0.011 19217 5540 1 15 . 1 1 49 49 LYS H H 49 8.151 8.151 8.071 0.080 19217 5541 1 15 . 1 1 50 50 ASP N N 50 122.818 122.818 119.233 3.585 19217 5542 1 15 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.266 0.046 19217 5543 1 15 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.679 0.570 19217 5544 1 15 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.323 1.158 19217 5545 1 15 . 1 1 50 50 ASP H H 50 8.149 8.149 7.760 0.389 19217 5546 1 15 . 1 1 51 51 TYR N N 51 114.312 114.312 116.208 -1.896 19217 5547 1 15 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.353 0.023 19217 5548 1 15 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.217 -0.381 19217 5549 1 15 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.520 -0.616 19217 5550 1 15 . 1 1 51 51 TYR H H 51 7.260 7.260 7.381 -0.121 19217 5551 1 15 . 1 1 52 52 GLY N N 52 109.793 109.793 107.571 2.222 19217 5552 1 15 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.533 0.306 19217 5553 1 15 . 1 1 52 52 GLY H H 52 7.967 7.967 7.602 0.365 19217 5554 1 15 . 1 1 53 53 GLU N N 53 123.571 123.571 122.802 0.769 19217 5555 1 15 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.561 -0.359 19217 5556 1 15 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.197 0.908 19217 5557 1 15 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.993 0.027 19217 5558 1 15 . 1 1 53 53 GLU H H 53 8.788 8.788 8.596 0.192 19217 5559 1 15 . 1 1 54 54 ASN N N 54 115.160 115.160 119.053 -3.893 19217 5560 1 15 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.954 0.268 19217 5561 1 15 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.297 -1.333 19217 5562 1 15 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.510 0.890 19217 5563 1 15 . 1 1 54 54 ASN H H 54 7.853 7.853 8.427 -0.574 19217 5564 1 15 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.330 -0.285 19217 5565 1 15 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.561 -0.273 19217 5566 1 15 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.346 -0.675 19217 5567 1 15 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.341 0.192 19217 5568 1 15 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.184 -0.490 19217 5569 1 15 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.423 1.034 19217 5570 1 15 . 1 1 57 57 THR N N 57 116.449 116.449 113.933 2.516 19217 5571 1 15 . 1 1 57 57 THR HA H 57 3.832 3.832 3.966 -0.134 19217 5572 1 15 . 1 1 57 57 THR CA C 57 65.318 65.318 64.971 0.347 19217 5573 1 15 . 1 1 57 57 THR CB C 57 68.433 68.433 68.686 -0.253 19217 5574 1 15 . 1 1 57 57 THR H H 57 8.894 8.894 8.737 0.157 19217 5575 1 15 . 1 1 58 58 SER N N 58 113.767 113.767 116.094 -2.327 19217 5576 1 15 . 1 1 58 58 SER HA H 58 4.409 4.409 4.431 -0.022 19217 5577 1 15 . 1 1 58 58 SER CA C 58 59.123 59.123 60.829 -1.706 19217 5578 1 15 . 1 1 58 58 SER CB C 58 62.669 62.669 62.433 0.236 19217 5579 1 15 . 1 1 58 58 SER H H 58 7.839 7.839 8.440 -0.601 19217 5580 1 15 . 1 1 59 59 CYS N N 59 117.062 117.062 121.414 -4.352 19217 5581 1 15 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.383 0.399 19217 5582 1 15 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.717 1.195 19217 5583 1 15 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.367 19.450 19217 5584 1 15 . 1 1 59 59 CYS H H 59 7.397 7.397 7.828 -0.431 19217 5585 1 15 . 1 1 60 60 SER N N 60 112.368 112.368 112.213 0.155 19217 5586 1 15 . 1 1 60 60 SER HA H 60 4.258 4.258 4.585 -0.327 19217 5587 1 15 . 1 1 60 60 SER CA C 60 56.925 56.925 56.435 0.490 19217 5588 1 15 . 1 1 60 60 SER CB C 60 67.049 67.049 66.260 0.789 19217 5589 1 15 . 1 1 60 60 SER H H 60 7.486 7.486 7.196 0.290 19217 5590 1 15 . 1 1 61 61 LYS N N 61 120.402 120.402 122.792 -2.390 19217 5591 1 15 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.612 -0.221 19217 5592 1 15 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.217 -0.900 19217 5593 1 15 . 1 1 61 61 LYS CB C 61 35.944 35.944 35.289 0.655 19217 5594 1 15 . 1 1 61 61 LYS H H 61 7.918 7.918 8.277 -0.359 19217 5595 1 15 . 1 1 62 62 ASP N N 62 128.253 128.253 124.755 3.498 19217 5596 1 15 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.345 -0.065 19217 5597 1 15 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.122 0.577 19217 5598 1 15 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.227 -0.705 19217 5599 1 15 . 1 1 62 62 ASP H H 62 9.517 9.517 8.968 0.549 19217 5600 1 15 . 1 1 63 63 GLY N N 63 103.421 103.421 104.553 -1.132 19217 5601 1 15 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.331 -0.129 19217 5602 1 15 . 1 1 63 63 GLY H H 63 8.597 8.597 8.467 0.130 19217 5603 1 15 . 1 1 64 64 VAL N N 64 122.304 122.304 119.260 3.044 19217 5604 1 15 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.277 -0.218 19217 5605 1 15 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.615 1.027 19217 5606 1 15 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.564 -2.281 19217 5607 1 15 . 1 1 64 64 VAL H H 64 7.630 7.630 7.234 0.396 19217 5608 1 15 . 1 1 65 65 GLN N N 65 126.376 126.376 123.908 2.468 19217 5609 1 15 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.244 -0.121 19217 5610 1 15 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.307 0.677 19217 5611 1 15 . 1 1 65 65 GLN CB C 65 30.137 30.137 31.084 -0.947 19217 5612 1 15 . 1 1 65 65 GLN H H 65 8.366 8.366 8.372 -0.006 19217 5613 1 15 . 1 1 66 66 PHE N N 66 126.770 126.770 125.465 1.305 19217 5614 1 15 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.596 0.329 19217 5615 1 15 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.923 -1.481 19217 5616 1 15 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.330 -0.738 19217 5617 1 15 . 1 1 66 66 PHE H H 66 8.606 8.606 8.090 0.516 19217 5618 1 15 . 1 1 67 67 THR N N 67 110.796 110.796 113.770 -2.974 19217 5619 1 15 . 1 1 67 67 THR HA H 67 4.378 4.378 4.457 -0.079 19217 5620 1 15 . 1 1 67 67 THR CA C 67 62.290 62.290 61.832 0.458 19217 5621 1 15 . 1 1 67 67 THR CB C 67 69.730 69.730 68.835 0.895 19217 5622 1 15 . 1 1 67 67 THR H H 67 8.105 8.105 8.700 -0.595 19217 5623 1 15 . 1 1 68 68 GLU N N 68 122.415 122.415 121.830 0.585 19217 5624 1 15 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.694 -0.058 19217 5625 1 15 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.797 0.472 19217 5626 1 15 . 1 1 68 68 GLU CB C 68 32.089 32.089 33.326 -1.237 19217 5627 1 15 . 1 1 68 68 GLU H H 68 8.171 8.171 7.992 0.179 19217 5628 1 15 . 1 1 69 69 GLY N N 69 109.155 109.155 107.516 1.639 19217 5629 1 15 . 1 1 69 69 GLY CA C 69 44.361 44.361 43.962 0.399 19217 5630 1 15 . 1 1 69 69 GLY H H 69 8.870 8.870 8.514 0.356 19217 5631 1 15 . 1 1 70 70 CYS N N 70 116.376 116.376 117.581 -1.205 19217 5632 1 15 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.708 -0.263 19217 5633 1 15 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.597 -3.148 19217 5634 1 15 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.555 13.236 19217 5635 1 15 . 1 1 70 70 CYS H H 70 8.335 8.335 8.220 0.115 19217 5636 1 15 . 1 1 71 71 ILE N N 71 121.812 121.812 121.028 0.784 19217 5637 1 15 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.586 -0.067 19217 5638 1 15 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.036 0.771 19217 5639 1 15 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.624 -0.798 19217 5640 1 15 . 1 1 71 71 ILE H H 71 9.129 9.129 8.491 0.638 19217 5641 1 15 . 1 1 72 72 LYS N N 72 121.424 121.424 118.314 3.110 19217 5642 1 15 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.167 -0.152 19217 5643 1 15 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.061 0.142 19217 5644 1 15 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.080 0.003 19217 5645 1 15 . 1 1 72 72 LYS H H 72 8.179 8.179 8.433 -0.254 19217 5646 1 15 . 1 1 73 73 LYS N N 73 115.131 115.131 120.371 -5.240 19217 5647 1 15 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.127 0.056 19217 5648 1 15 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.107 -1.365 19217 5649 1 15 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.257 -0.075 19217 5650 1 15 . 1 1 73 73 LYS H H 73 7.287 7.287 7.651 -0.364 19217 5651 1 15 . 1 1 74 74 VAL N N 74 117.637 117.637 115.394 2.243 19217 5652 1 15 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.661 -0.029 19217 5653 1 15 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.181 -0.242 19217 5654 1 15 . 1 1 74 74 VAL CB C 74 31.432 31.432 31.111 0.321 19217 5655 1 15 . 1 1 74 74 VAL H H 74 8.398 8.398 8.497 -0.099 19217 5656 1 15 . 1 1 75 75 SER N N 75 117.090 117.090 116.287 0.803 19217 5657 1 15 . 1 1 75 75 SER HA H 75 4.144 4.144 4.149 -0.005 19217 5658 1 15 . 1 1 75 75 SER CA C 75 61.816 61.816 60.796 1.020 19217 5659 1 15 . 1 1 75 75 SER CB C 75 62.840 62.840 62.608 0.232 19217 5660 1 15 . 1 1 75 75 SER H H 75 8.249 8.249 7.804 0.445 19217 5661 1 15 . 1 1 76 76 ASP N N 76 121.102 121.102 123.015 -1.913 19217 5662 1 15 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.368 0.108 19217 5663 1 15 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.315 -0.898 19217 5664 1 15 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.857 -0.421 19217 5665 1 15 . 1 1 76 76 ASP H H 76 8.240 8.240 7.687 0.553 19217 5666 1 15 . 1 1 77 77 LEU N N 77 119.967 119.967 116.309 3.658 19217 5667 1 15 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.198 0.013 19217 5668 1 15 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.660 -1.000 19217 5669 1 15 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.792 0.423 19217 5670 1 15 . 1 1 77 77 LEU H H 77 7.728 7.728 7.559 0.169 19217 5671 1 15 . 1 1 78 78 SER N N 78 113.729 113.729 114.441 -0.712 19217 5672 1 15 . 1 1 78 78 SER HA H 78 4.379 4.379 4.276 0.103 19217 5673 1 15 . 1 1 78 78 SER CA C 78 59.286 59.286 60.725 -1.439 19217 5674 1 15 . 1 1 78 78 SER CB C 78 63.761 63.761 63.530 0.231 19217 5675 1 15 . 1 1 78 78 SER H H 78 7.873 7.873 7.546 0.327 19217 5676 1 15 . 1 1 79 79 LYS N N 79 121.616 121.616 119.615 2.001 19217 5677 1 15 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.254 0.034 19217 5678 1 15 . 1 1 79 79 LYS CA C 79 56.416 56.416 57.010 -0.594 19217 5679 1 15 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.648 0.195 19217 5680 1 15 . 1 1 79 79 LYS H H 79 7.741 7.741 7.996 -0.255 19217 5681 1 15 . 1 1 80 80 ALA N N 80 124.562 124.562 123.063 1.499 19217 5682 1 15 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.292 -0.018 19217 5683 1 15 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.286 0.327 19217 5684 1 15 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.856 -0.586 19217 5685 1 15 . 1 1 80 80 ALA H H 80 8.044 8.044 7.470 0.574 19217 5686 1 16 . 1 1 2 2 SER N N 2 115.654 115.654 117.655 -2.001 19217 5687 1 16 . 1 1 2 2 SER HA H 2 4.496 4.496 4.442 0.053 19217 5688 1 16 . 1 1 2 2 SER CA C 2 58.438 58.438 57.736 0.702 19217 5689 1 16 . 1 1 2 2 SER CB C 2 63.859 63.859 63.997 -0.138 19217 5690 1 16 . 1 1 2 2 SER H H 2 8.716 8.716 8.201 0.515 19217 5691 1 16 . 1 1 3 3 ASN N N 3 120.885 120.885 118.361 2.524 19217 5692 1 16 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.820 -0.092 19217 5693 1 16 . 1 1 3 3 ASN CA C 3 53.319 53.319 52.294 1.025 19217 5694 1 16 . 1 1 3 3 ASN CB C 3 38.647 38.647 37.954 0.693 19217 5695 1 16 . 1 1 3 3 ASN H H 3 8.703 8.703 8.639 0.064 19217 5696 1 16 . 1 1 4 4 GLU N N 4 120.920 120.920 118.940 1.980 19217 5697 1 16 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.512 -0.240 19217 5698 1 16 . 1 1 4 4 GLU CA C 4 56.434 56.434 55.816 0.618 19217 5699 1 16 . 1 1 4 4 GLU CB C 4 30.469 30.469 28.378 2.091 19217 5700 1 16 . 1 1 4 4 GLU H H 4 8.261 8.261 8.829 -0.568 19217 5701 1 16 . 1 1 5 5 LYS N N 5 124.113 124.113 122.678 1.435 19217 5702 1 16 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.625 -0.077 19217 5703 1 16 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.286 0.344 19217 5704 1 16 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.572 -0.478 19217 5705 1 16 . 1 1 5 5 LYS H H 5 8.452 8.452 7.890 0.562 19217 5706 1 16 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.581 -0.199 19217 5707 1 16 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.427 0.939 19217 5708 1 16 . 1 1 6 6 PRO CB C 6 32.133 32.133 33.136 -1.003 19217 5709 1 16 . 1 1 7 7 LYS N N 7 121.721 121.721 120.170 1.551 19217 5710 1 16 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.611 -0.329 19217 5711 1 16 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.407 1.173 19217 5712 1 16 . 1 1 7 7 LYS CB C 7 32.989 32.989 33.299 -0.310 19217 5713 1 16 . 1 1 7 7 LYS H H 7 8.449 8.449 8.337 0.112 19217 5714 1 16 . 1 1 8 8 VAL N N 8 121.294 121.294 124.635 -3.341 19217 5715 1 16 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.187 -0.157 19217 5716 1 16 . 1 1 8 8 VAL CA C 8 62.751 62.751 59.388 3.363 19217 5717 1 16 . 1 1 8 8 VAL CB C 8 32.778 32.778 34.221 -1.443 19217 5718 1 16 . 1 1 8 8 VAL H H 8 8.062 8.062 8.640 -0.578 19217 5719 1 16 . 1 1 9 9 LYS N N 9 125.108 125.108 125.671 -0.563 19217 5720 1 16 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.026 0.175 19217 5721 1 16 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.805 -1.530 19217 5722 1 16 . 1 1 9 9 LYS CB C 9 32.882 32.882 31.981 0.901 19217 5723 1 16 . 1 1 9 9 LYS H H 9 8.429 8.429 8.705 -0.276 19217 5724 1 16 . 1 1 10 10 LYS N N 10 122.428 122.428 116.948 5.480 19217 5725 1 16 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.327 -0.127 19217 5726 1 16 . 1 1 10 10 LYS CA C 10 57.424 57.424 57.345 0.079 19217 5727 1 16 . 1 1 10 10 LYS CB C 10 32.908 32.908 32.364 0.544 19217 5728 1 16 . 1 1 10 10 LYS H H 10 8.322 8.322 8.053 0.269 19217 5729 1 16 . 1 1 11 11 HIS N N 11 119.909 119.909 119.785 0.124 19217 5730 1 16 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.370 0.241 19217 5731 1 16 . 1 1 11 11 HIS CA C 11 56.994 56.994 57.881 -0.887 19217 5732 1 16 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.683 -0.074 19217 5733 1 16 . 1 1 11 11 HIS H H 11 8.402 8.402 7.532 0.870 19217 5734 1 16 . 1 1 12 12 ILE N N 12 121.819 121.819 120.344 1.475 19217 5735 1 16 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.623 0.236 19217 5736 1 16 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.870 -2.505 19217 5737 1 16 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.687 0.668 19217 5738 1 16 . 1 1 12 12 ILE H H 12 8.152 8.152 7.858 0.294 19217 5739 1 16 . 1 1 13 13 THR N N 13 116.420 116.420 113.720 2.700 19217 5740 1 16 . 1 1 13 13 THR HA H 13 3.933 3.933 3.953 -0.020 19217 5741 1 16 . 1 1 13 13 THR CA C 13 64.847 64.847 66.348 -1.501 19217 5742 1 16 . 1 1 13 13 THR CB C 13 68.899 68.899 68.458 0.441 19217 5743 1 16 . 1 1 13 13 THR H H 13 8.095 8.095 7.957 0.138 19217 5744 1 16 . 1 1 14 14 SER N N 14 116.367 116.367 117.699 -1.332 19217 5745 1 16 . 1 1 14 14 SER HA H 14 4.230 4.230 4.159 0.071 19217 5746 1 16 . 1 1 14 14 SER CA C 14 60.111 60.111 61.605 -1.494 19217 5747 1 16 . 1 1 14 14 SER CB C 14 63.317 63.317 63.240 0.077 19217 5748 1 16 . 1 1 14 14 SER H H 14 8.111 8.111 7.569 0.542 19217 5749 1 16 . 1 1 15 15 ALA N N 15 124.756 124.756 125.167 -0.411 19217 5750 1 16 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.031 0.099 19217 5751 1 16 . 1 1 15 15 ALA CA C 15 54.838 54.838 55.061 -0.223 19217 5752 1 16 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.344 0.421 19217 5753 1 16 . 1 1 15 15 ALA H H 15 8.248 8.248 8.467 -0.219 19217 5754 1 16 . 1 1 16 16 LEU N N 16 116.067 116.067 118.999 -2.932 19217 5755 1 16 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.095 -0.056 19217 5756 1 16 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.805 -0.930 19217 5757 1 16 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.622 -0.230 19217 5758 1 16 . 1 1 16 16 LEU H H 16 8.188 8.188 8.207 -0.019 19217 5759 1 16 . 1 1 17 17 LYS N N 17 119.021 119.021 116.399 2.622 19217 5760 1 16 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.898 -0.069 19217 5761 1 16 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.737 -0.811 19217 5762 1 16 . 1 1 17 17 LYS CB C 17 31.963 31.963 31.941 0.022 19217 5763 1 16 . 1 1 17 17 LYS H H 17 7.870 7.870 8.023 -0.153 19217 5764 1 16 . 1 1 18 18 LYS N N 18 117.677 117.677 119.285 -1.608 19217 5765 1 16 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.111 0.000 19217 5766 1 16 . 1 1 18 18 LYS CA C 18 58.704 58.704 57.768 0.936 19217 5767 1 16 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.021 0.199 19217 5768 1 16 . 1 1 18 18 LYS H H 18 7.598 7.598 7.528 0.070 19217 5769 1 16 . 1 1 19 19 LEU N N 19 117.430 117.430 121.118 -3.688 19217 5770 1 16 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.901 0.174 19217 5771 1 16 . 1 1 19 19 LEU CA C 19 57.521 57.521 58.082 -0.561 19217 5772 1 16 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.916 0.040 19217 5773 1 16 . 1 1 19 19 LEU H H 19 7.594 7.594 8.151 -0.557 19217 5774 1 16 . 1 1 20 20 VAL N N 20 118.252 118.252 115.225 3.027 19217 5775 1 16 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.325 0.038 19217 5776 1 16 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.460 1.586 19217 5777 1 16 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.816 -0.660 19217 5778 1 16 . 1 1 20 20 VAL H H 20 7.662 7.662 7.557 0.105 19217 5779 1 16 . 1 1 21 21 ASP N N 21 119.557 119.557 119.555 0.002 19217 5780 1 16 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.486 -0.016 19217 5781 1 16 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.165 0.481 19217 5782 1 16 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.100 -0.185 19217 5783 1 16 . 1 1 21 21 ASP H H 21 7.645 7.645 7.561 0.084 19217 5784 1 16 . 1 1 22 22 LYS N N 22 117.493 117.493 117.721 -0.228 19217 5785 1 16 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.451 0.104 19217 5786 1 16 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.118 1.153 19217 5787 1 16 . 1 1 22 22 LYS CB C 22 33.805 33.805 32.032 1.773 19217 5788 1 16 . 1 1 22 22 LYS H H 22 7.782 7.782 7.861 -0.079 19217 5789 1 16 . 1 1 23 23 TYR N N 23 121.877 121.877 121.081 0.796 19217 5790 1 16 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.105 -0.406 19217 5791 1 16 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.193 1.183 19217 5792 1 16 . 1 1 23 23 TYR CB C 23 40.332 40.332 39.003 1.329 19217 5793 1 16 . 1 1 23 23 TYR H H 23 7.738 7.738 7.247 0.491 19217 5794 1 16 . 1 1 24 24 ARG N N 24 111.739 111.739 116.844 -5.105 19217 5795 1 16 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.360 -0.218 19217 5796 1 16 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.900 0.974 19217 5797 1 16 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.793 0.006 19217 5798 1 16 . 1 1 24 24 ARG H H 24 8.577 8.577 8.672 -0.095 19217 5799 1 16 . 1 1 25 25 ASN N N 25 113.359 113.359 117.085 -3.726 19217 5800 1 16 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.790 0.230 19217 5801 1 16 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.398 -1.083 19217 5802 1 16 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.639 0.235 19217 5803 1 16 . 1 1 25 25 ASN H H 25 7.711 7.711 7.645 0.066 19217 5804 1 16 . 1 1 26 26 ASP N N 26 120.181 120.181 120.409 -0.228 19217 5805 1 16 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.856 0.075 19217 5806 1 16 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.185 0.411 19217 5807 1 16 . 1 1 26 26 ASP CB C 26 43.635 43.635 42.874 0.760 19217 5808 1 16 . 1 1 26 26 ASP H H 26 7.424 7.424 7.956 -0.532 19217 5809 1 16 . 1 1 27 27 GLU N N 27 126.678 126.678 125.844 0.834 19217 5810 1 16 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.882 -0.080 19217 5811 1 16 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.757 -0.567 19217 5812 1 16 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.361 0.398 19217 5813 1 16 . 1 1 27 27 GLU H H 27 9.073 9.073 8.887 0.186 19217 5814 1 16 . 1 1 28 28 HIS N N 28 118.927 118.927 118.095 0.832 19217 5815 1 16 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.360 0.051 19217 5816 1 16 . 1 1 28 28 HIS CA C 28 58.777 58.777 57.971 0.806 19217 5817 1 16 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.693 -1.876 19217 5818 1 16 . 1 1 28 28 HIS H H 28 8.585 8.585 8.454 0.131 19217 5819 1 16 . 1 1 29 29 VAL N N 29 120.860 120.860 118.697 2.163 19217 5820 1 16 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.767 -0.327 19217 5821 1 16 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.998 0.679 19217 5822 1 16 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.303 0.201 19217 5823 1 16 . 1 1 29 29 VAL H H 29 7.811 7.811 7.397 0.414 19217 5824 1 16 . 1 1 30 30 ARG N N 30 119.042 119.042 119.852 -0.810 19217 5825 1 16 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.571 0.305 19217 5826 1 16 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.773 0.501 19217 5827 1 16 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.458 0.597 19217 5828 1 16 . 1 1 30 30 ARG H H 30 7.919 7.919 7.374 0.545 19217 5829 1 16 . 1 1 31 31 LYS N N 31 116.630 116.630 118.651 -2.021 19217 5830 1 16 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.086 0.040 19217 5831 1 16 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.444 0.141 19217 5832 1 16 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.784 0.679 19217 5833 1 16 . 1 1 31 31 LYS H H 31 7.583 7.583 7.519 0.064 19217 5834 1 16 . 1 1 32 32 VAL N N 32 118.507 118.507 120.546 -2.039 19217 5835 1 16 . 1 1 32 32 VAL HA H 32 3.785 3.785 4.142 -0.357 19217 5836 1 16 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.514 -0.415 19217 5837 1 16 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.776 0.493 19217 5838 1 16 . 1 1 32 32 VAL H H 32 7.576 7.576 7.402 0.174 19217 5839 1 16 . 1 1 33 33 PHE N N 33 120.874 120.874 119.898 0.976 19217 5840 1 16 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.249 0.027 19217 5841 1 16 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.229 0.286 19217 5842 1 16 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.193 0.160 19217 5843 1 16 . 1 1 33 33 PHE H H 33 9.246 9.246 8.870 0.376 19217 5844 1 16 . 1 1 34 34 ASP N N 34 119.331 119.331 121.212 -1.881 19217 5845 1 16 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.420 0.108 19217 5846 1 16 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.831 0.777 19217 5847 1 16 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.973 -1.052 19217 5848 1 16 . 1 1 34 34 ASP H H 34 9.507 9.507 8.500 1.007 19217 5849 1 16 . 1 1 35 35 GLU N N 35 118.378 118.378 119.378 -1.000 19217 5850 1 16 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.101 0.100 19217 5851 1 16 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.004 0.718 19217 5852 1 16 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.319 0.240 19217 5853 1 16 . 1 1 35 35 GLU H H 35 7.334 7.334 7.639 -0.305 19217 5854 1 16 . 1 1 36 36 ILE N N 36 119.241 119.241 121.562 -2.321 19217 5855 1 16 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.582 -0.139 19217 5856 1 16 . 1 1 36 36 ILE CA C 36 66.761 66.761 64.954 1.807 19217 5857 1 16 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.619 0.833 19217 5858 1 16 . 1 1 36 36 ILE H H 36 8.054 8.054 7.522 0.532 19217 5859 1 16 . 1 1 37 37 GLN N N 37 117.541 117.541 118.890 -1.349 19217 5860 1 16 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.909 0.496 19217 5861 1 16 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.147 0.869 19217 5862 1 16 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.728 -0.345 19217 5863 1 16 . 1 1 37 37 GLN H H 37 8.517 8.517 8.199 0.318 19217 5864 1 16 . 1 1 38 38 GLN N N 38 113.900 113.900 118.290 -4.390 19217 5865 1 16 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.136 0.108 19217 5866 1 16 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.366 0.156 19217 5867 1 16 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.716 1.479 19217 5868 1 16 . 1 1 38 38 GLN H H 38 8.023 8.023 7.763 0.260 19217 5869 1 16 . 1 1 39 39 LYS N N 39 117.850 117.850 119.685 -1.835 19217 5870 1 16 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.883 0.273 19217 5871 1 16 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.038 -0.155 19217 5872 1 16 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.046 0.873 19217 5873 1 16 . 1 1 39 39 LYS H H 39 8.480 8.480 8.203 0.277 19217 5874 1 16 . 1 1 40 40 LEU N N 40 114.726 114.726 115.738 -1.012 19217 5875 1 16 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.347 -0.164 19217 5876 1 16 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.752 -0.522 19217 5877 1 16 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.652 -0.863 19217 5878 1 16 . 1 1 40 40 LEU H H 40 8.427 8.427 7.868 0.559 19217 5879 1 16 . 1 1 41 41 HIS N N 41 115.299 115.299 113.962 1.337 19217 5880 1 16 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.294 -0.849 19217 5881 1 16 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.311 -2.588 19217 5882 1 16 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.830 -0.612 19217 5883 1 16 . 1 1 41 41 HIS H H 41 7.466 7.466 7.330 0.136 19217 5884 1 16 . 1 1 42 42 CYS N N 42 116.999 116.999 110.867 6.132 19217 5885 1 16 . 1 1 42 42 CYS HA H 42 5.064 5.064 5.216 -0.152 19217 5886 1 16 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.344 -2.511 19217 5887 1 16 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.403 16.375 19217 5888 1 16 . 1 1 42 42 CYS H H 42 8.205 8.205 7.868 0.337 19217 5889 1 16 . 1 1 43 43 CYS N N 43 117.175 117.175 120.159 -2.984 19217 5890 1 16 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.243 -0.101 19217 5891 1 16 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.327 -3.886 19217 5892 1 16 . 1 1 43 43 CYS CB C 43 42.928 42.928 30.188 12.740 19217 5893 1 16 . 1 1 43 43 CYS H H 43 9.131 9.131 8.298 0.833 19217 5894 1 16 . 1 1 44 44 GLY N N 44 113.879 113.879 112.447 1.432 19217 5895 1 16 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.816 -2.266 19217 5896 1 16 . 1 1 44 44 GLY H H 44 8.913 8.913 8.827 0.086 19217 5897 1 16 . 1 1 45 45 ALA N N 45 122.305 122.305 123.027 -0.722 19217 5898 1 16 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.287 0.237 19217 5899 1 16 . 1 1 45 45 ALA CA C 45 53.824 53.824 54.742 -0.918 19217 5900 1 16 . 1 1 45 45 ALA CB C 45 18.722 18.722 20.137 -1.415 19217 5901 1 16 . 1 1 45 45 ALA H H 45 9.057 9.057 8.043 1.014 19217 5902 1 16 . 1 1 46 46 ASP N N 46 119.678 119.678 115.164 4.514 19217 5903 1 16 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.680 -0.067 19217 5904 1 16 . 1 1 46 46 ASP CA C 46 57.097 57.097 55.197 1.899 19217 5905 1 16 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.297 -0.819 19217 5906 1 16 . 1 1 46 46 ASP H H 46 9.741 9.741 8.351 1.390 19217 5907 1 16 . 1 1 47 47 SER N N 47 112.389 112.389 112.747 -0.358 19217 5908 1 16 . 1 1 47 47 SER HA H 47 4.654 4.654 4.901 -0.247 19217 5909 1 16 . 1 1 47 47 SER CA C 47 57.626 57.626 56.298 1.328 19217 5910 1 16 . 1 1 47 47 SER CB C 47 64.037 64.037 64.495 -0.458 19217 5911 1 16 . 1 1 47 47 SER H H 47 7.798 7.798 7.759 0.039 19217 5912 1 16 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.448 -0.303 19217 5913 1 16 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.176 0.954 19217 5914 1 16 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.064 0.283 19217 5915 1 16 . 1 1 49 49 LYS N N 49 115.074 115.074 117.137 -2.063 19217 5916 1 16 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.191 0.026 19217 5917 1 16 . 1 1 49 49 LYS CA C 49 57.299 57.299 57.782 -0.483 19217 5918 1 16 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.400 -0.487 19217 5919 1 16 . 1 1 49 49 LYS H H 49 8.151 8.151 8.129 0.022 19217 5920 1 16 . 1 1 50 50 ASP N N 50 122.818 122.818 119.241 3.577 19217 5921 1 16 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.332 -0.020 19217 5922 1 16 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.163 1.085 19217 5923 1 16 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.269 1.212 19217 5924 1 16 . 1 1 50 50 ASP H H 50 8.149 8.149 7.734 0.415 19217 5925 1 16 . 1 1 51 51 TYR N N 51 114.312 114.312 117.118 -2.806 19217 5926 1 16 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.318 0.058 19217 5927 1 16 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.681 -0.845 19217 5928 1 16 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.309 -0.405 19217 5929 1 16 . 1 1 51 51 TYR H H 51 7.260 7.260 7.398 -0.138 19217 5930 1 16 . 1 1 52 52 GLY N N 52 109.793 109.793 105.634 4.159 19217 5931 1 16 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.332 0.507 19217 5932 1 16 . 1 1 52 52 GLY H H 52 7.967 7.967 7.409 0.558 19217 5933 1 16 . 1 1 53 53 GLU N N 53 123.571 123.571 123.399 0.172 19217 5934 1 16 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.511 -0.309 19217 5935 1 16 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.013 1.092 19217 5936 1 16 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.704 0.316 19217 5937 1 16 . 1 1 53 53 GLU H H 53 8.788 8.788 8.728 0.060 19217 5938 1 16 . 1 1 54 54 ASN N N 54 115.160 115.160 117.412 -2.252 19217 5939 1 16 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.881 0.341 19217 5940 1 16 . 1 1 54 54 ASN CA C 54 50.964 50.964 51.291 -0.327 19217 5941 1 16 . 1 1 54 54 ASN CB C 54 40.400 40.400 38.015 2.385 19217 5942 1 16 . 1 1 54 54 ASN H H 54 7.853 7.853 8.045 -0.192 19217 5943 1 16 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.269 -0.224 19217 5944 1 16 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.773 -0.485 19217 5945 1 16 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.486 -0.815 19217 5946 1 16 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.310 0.223 19217 5947 1 16 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.129 -0.435 19217 5948 1 16 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.395 1.062 19217 5949 1 16 . 1 1 57 57 THR N N 57 116.449 116.449 114.516 1.933 19217 5950 1 16 . 1 1 57 57 THR HA H 57 3.832 3.832 3.864 -0.032 19217 5951 1 16 . 1 1 57 57 THR CA C 57 65.318 65.318 65.250 0.068 19217 5952 1 16 . 1 1 57 57 THR CB C 57 68.433 68.433 68.674 -0.241 19217 5953 1 16 . 1 1 57 57 THR H H 57 8.894 8.894 8.728 0.166 19217 5954 1 16 . 1 1 58 58 SER N N 58 113.767 113.767 115.418 -1.651 19217 5955 1 16 . 1 1 58 58 SER HA H 58 4.409 4.409 4.410 -0.001 19217 5956 1 16 . 1 1 58 58 SER CA C 58 59.123 59.123 60.601 -1.478 19217 5957 1 16 . 1 1 58 58 SER CB C 58 62.669 62.669 62.005 0.663 19217 5958 1 16 . 1 1 58 58 SER H H 58 7.839 7.839 8.209 -0.370 19217 5959 1 16 . 1 1 59 59 CYS N N 59 117.062 117.062 121.198 -4.136 19217 5960 1 16 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.413 0.369 19217 5961 1 16 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.931 0.981 19217 5962 1 16 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.170 19.647 19217 5963 1 16 . 1 1 59 59 CYS H H 59 7.397 7.397 7.855 -0.458 19217 5964 1 16 . 1 1 60 60 SER N N 60 112.368 112.368 113.058 -0.690 19217 5965 1 16 . 1 1 60 60 SER HA H 60 4.258 4.258 4.671 -0.413 19217 5966 1 16 . 1 1 60 60 SER CA C 60 56.925 56.925 56.281 0.644 19217 5967 1 16 . 1 1 60 60 SER CB C 60 67.049 67.049 66.085 0.964 19217 5968 1 16 . 1 1 60 60 SER H H 60 7.486 7.486 7.315 0.171 19217 5969 1 16 . 1 1 61 61 LYS N N 61 120.402 120.402 121.975 -1.573 19217 5970 1 16 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.529 -0.138 19217 5971 1 16 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.108 -0.791 19217 5972 1 16 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.986 0.959 19217 5973 1 16 . 1 1 61 61 LYS H H 61 7.918 7.918 8.443 -0.525 19217 5974 1 16 . 1 1 62 62 ASP N N 62 128.253 128.253 124.719 3.534 19217 5975 1 16 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.362 -0.082 19217 5976 1 16 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.513 0.187 19217 5977 1 16 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.099 -0.577 19217 5978 1 16 . 1 1 62 62 ASP H H 62 9.517 9.517 8.947 0.570 19217 5979 1 16 . 1 1 63 63 GLY N N 63 103.421 103.421 103.939 -0.518 19217 5980 1 16 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.265 -0.063 19217 5981 1 16 . 1 1 63 63 GLY H H 63 8.597 8.597 8.373 0.224 19217 5982 1 16 . 1 1 64 64 VAL N N 64 122.304 122.304 118.421 3.883 19217 5983 1 16 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.357 -0.298 19217 5984 1 16 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.371 1.271 19217 5985 1 16 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.152 -1.869 19217 5986 1 16 . 1 1 64 64 VAL H H 64 7.630 7.630 7.242 0.388 19217 5987 1 16 . 1 1 65 65 GLN N N 65 126.376 126.376 122.964 3.412 19217 5988 1 16 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.462 -0.339 19217 5989 1 16 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.158 0.826 19217 5990 1 16 . 1 1 65 65 GLN CB C 65 30.137 30.137 31.274 -1.137 19217 5991 1 16 . 1 1 65 65 GLN H H 65 8.366 8.366 8.258 0.108 19217 5992 1 16 . 1 1 66 66 PHE N N 66 126.770 126.770 124.747 2.023 19217 5993 1 16 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.585 0.340 19217 5994 1 16 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.127 -1.685 19217 5995 1 16 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.867 -1.275 19217 5996 1 16 . 1 1 66 66 PHE H H 66 8.606 8.606 8.069 0.537 19217 5997 1 16 . 1 1 67 67 THR N N 67 110.796 110.796 114.024 -3.228 19217 5998 1 16 . 1 1 67 67 THR HA H 67 4.378 4.378 4.407 -0.029 19217 5999 1 16 . 1 1 67 67 THR CA C 67 62.290 62.290 61.693 0.597 19217 6000 1 16 . 1 1 67 67 THR CB C 67 69.730 69.730 69.221 0.509 19217 6001 1 16 . 1 1 67 67 THR H H 67 8.105 8.105 8.620 -0.515 19217 6002 1 16 . 1 1 68 68 GLU N N 68 122.415 122.415 121.465 0.950 19217 6003 1 16 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.649 -0.013 19217 6004 1 16 . 1 1 68 68 GLU CA C 68 55.269 55.269 55.027 0.242 19217 6005 1 16 . 1 1 68 68 GLU CB C 68 32.089 32.089 33.537 -1.448 19217 6006 1 16 . 1 1 68 68 GLU H H 68 8.171 8.171 7.955 0.216 19217 6007 1 16 . 1 1 69 69 GLY N N 69 109.155 109.155 107.760 1.395 19217 6008 1 16 . 1 1 69 69 GLY CA C 69 44.361 44.361 45.113 -0.752 19217 6009 1 16 . 1 1 69 69 GLY H H 69 8.870 8.870 8.478 0.392 19217 6010 1 16 . 1 1 70 70 CYS N N 70 116.376 116.376 118.051 -1.675 19217 6011 1 16 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.745 -0.300 19217 6012 1 16 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.711 -3.262 19217 6013 1 16 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.683 13.108 19217 6014 1 16 . 1 1 70 70 CYS H H 70 8.335 8.335 8.447 -0.112 19217 6015 1 16 . 1 1 71 71 ILE N N 71 121.812 121.812 121.209 0.603 19217 6016 1 16 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.563 -0.044 19217 6017 1 16 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.240 0.567 19217 6018 1 16 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.690 -0.864 19217 6019 1 16 . 1 1 71 71 ILE H H 71 9.129 9.129 8.646 0.483 19217 6020 1 16 . 1 1 72 72 LYS N N 72 121.424 121.424 119.137 2.287 19217 6021 1 16 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.103 -0.088 19217 6022 1 16 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.510 -0.307 19217 6023 1 16 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.130 -0.047 19217 6024 1 16 . 1 1 72 72 LYS H H 72 8.179 8.179 8.446 -0.267 19217 6025 1 16 . 1 1 73 73 LYS N N 73 115.131 115.131 119.926 -4.795 19217 6026 1 16 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.092 0.091 19217 6027 1 16 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.364 -1.622 19217 6028 1 16 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.148 0.034 19217 6029 1 16 . 1 1 73 73 LYS H H 73 7.287 7.287 7.792 -0.505 19217 6030 1 16 . 1 1 74 74 VAL N N 74 117.637 117.637 116.309 1.328 19217 6031 1 16 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.647 -0.016 19217 6032 1 16 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.387 -0.448 19217 6033 1 16 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.720 0.712 19217 6034 1 16 . 1 1 74 74 VAL H H 74 8.398 8.398 8.534 -0.136 19217 6035 1 16 . 1 1 75 75 SER N N 75 117.090 117.090 114.807 2.283 19217 6036 1 16 . 1 1 75 75 SER HA H 75 4.144 4.144 4.126 0.018 19217 6037 1 16 . 1 1 75 75 SER CA C 75 61.816 61.816 61.449 0.367 19217 6038 1 16 . 1 1 75 75 SER CB C 75 62.840 62.840 62.745 0.095 19217 6039 1 16 . 1 1 75 75 SER H H 75 8.249 8.249 7.621 0.628 19217 6040 1 16 . 1 1 76 76 ASP N N 76 121.102 121.102 123.222 -2.120 19217 6041 1 16 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.422 0.054 19217 6042 1 16 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.407 -0.990 19217 6043 1 16 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.803 -0.367 19217 6044 1 16 . 1 1 76 76 ASP H H 76 8.240 8.240 7.677 0.563 19217 6045 1 16 . 1 1 77 77 LEU N N 77 119.967 119.967 117.436 2.531 19217 6046 1 16 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.158 0.053 19217 6047 1 16 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.746 -1.086 19217 6048 1 16 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.676 0.540 19217 6049 1 16 . 1 1 77 77 LEU H H 77 7.728 7.728 7.877 -0.149 19217 6050 1 16 . 1 1 78 78 SER N N 78 113.729 113.729 113.678 0.051 19217 6051 1 16 . 1 1 78 78 SER HA H 78 4.379 4.379 4.378 0.001 19217 6052 1 16 . 1 1 78 78 SER CA C 78 59.286 59.286 60.701 -1.415 19217 6053 1 16 . 1 1 78 78 SER CB C 78 63.761 63.761 63.729 0.032 19217 6054 1 16 . 1 1 78 78 SER H H 78 7.873 7.873 7.535 0.338 19217 6055 1 16 . 1 1 79 79 LYS N N 79 121.616 121.616 120.702 0.914 19217 6056 1 16 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.210 0.078 19217 6057 1 16 . 1 1 79 79 LYS CA C 79 56.416 56.416 56.806 -0.390 19217 6058 1 16 . 1 1 79 79 LYS CB C 79 32.842 32.842 33.209 -0.367 19217 6059 1 16 . 1 1 79 79 LYS H H 79 7.741 7.741 7.793 -0.052 19217 6060 1 16 . 1 1 80 80 ALA N N 80 124.562 124.562 122.467 2.095 19217 6061 1 16 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.144 0.131 19217 6062 1 16 . 1 1 80 80 ALA CA C 80 52.613 52.613 53.379 -0.766 19217 6063 1 16 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.335 -0.065 19217 6064 1 16 . 1 1 80 80 ALA H H 80 8.044 8.044 7.884 0.160 19217 6065 1 17 . 1 1 2 2 SER N N 2 115.654 115.654 117.350 -1.696 19217 6066 1 17 . 1 1 2 2 SER HA H 2 4.496 4.496 4.534 -0.038 19217 6067 1 17 . 1 1 2 2 SER CA C 2 58.438 58.438 57.904 0.534 19217 6068 1 17 . 1 1 2 2 SER CB C 2 63.859 63.859 63.979 -0.120 19217 6069 1 17 . 1 1 2 2 SER H H 2 8.716 8.716 8.251 0.465 19217 6070 1 17 . 1 1 3 3 ASN N N 3 120.885 120.885 123.837 -2.952 19217 6071 1 17 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.715 0.013 19217 6072 1 17 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.445 -0.126 19217 6073 1 17 . 1 1 3 3 ASN CB C 3 38.647 38.647 38.021 0.626 19217 6074 1 17 . 1 1 3 3 ASN H H 3 8.703 8.703 8.786 -0.083 19217 6075 1 17 . 1 1 4 4 GLU N N 4 120.920 120.920 121.128 -0.208 19217 6076 1 17 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.491 -0.219 19217 6077 1 17 . 1 1 4 4 GLU CA C 4 56.434 56.434 55.989 0.445 19217 6078 1 17 . 1 1 4 4 GLU CB C 4 30.469 30.469 30.218 0.251 19217 6079 1 17 . 1 1 4 4 GLU H H 4 8.261 8.261 7.921 0.340 19217 6080 1 17 . 1 1 5 5 LYS N N 5 124.113 124.113 121.263 2.850 19217 6081 1 17 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.609 -0.061 19217 6082 1 17 . 1 1 5 5 LYS CA C 5 54.630 54.630 53.796 0.834 19217 6083 1 17 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.706 -0.612 19217 6084 1 17 . 1 1 5 5 LYS H H 5 8.452 8.452 7.799 0.653 19217 6085 1 17 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.444 -0.062 19217 6086 1 17 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.298 1.067 19217 6087 1 17 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.696 -0.562 19217 6088 1 17 . 1 1 7 7 LYS N N 7 121.721 121.721 120.242 1.479 19217 6089 1 17 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.108 0.174 19217 6090 1 17 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.765 0.815 19217 6091 1 17 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.042 0.947 19217 6092 1 17 . 1 1 7 7 LYS H H 7 8.449 8.449 8.250 0.199 19217 6093 1 17 . 1 1 8 8 VAL N N 8 121.294 121.294 123.938 -2.644 19217 6094 1 17 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.279 -0.249 19217 6095 1 17 . 1 1 8 8 VAL CA C 8 62.751 62.751 60.048 2.703 19217 6096 1 17 . 1 1 8 8 VAL CB C 8 32.778 32.778 33.827 -1.049 19217 6097 1 17 . 1 1 8 8 VAL H H 8 8.062 8.062 8.008 0.054 19217 6098 1 17 . 1 1 9 9 LYS N N 9 125.108 125.108 125.795 -0.687 19217 6099 1 17 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.061 0.140 19217 6100 1 17 . 1 1 9 9 LYS CA C 9 57.275 57.275 59.450 -2.175 19217 6101 1 17 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.178 0.704 19217 6102 1 17 . 1 1 9 9 LYS H H 9 8.429 8.429 8.761 -0.332 19217 6103 1 17 . 1 1 10 10 LYS N N 10 122.428 122.428 117.327 5.101 19217 6104 1 17 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.179 0.021 19217 6105 1 17 . 1 1 10 10 LYS CA C 10 57.424 57.424 58.167 -0.743 19217 6106 1 17 . 1 1 10 10 LYS CB C 10 32.908 32.908 32.179 0.729 19217 6107 1 17 . 1 1 10 10 LYS H H 10 8.322 8.322 8.523 -0.201 19217 6108 1 17 . 1 1 11 11 HIS N N 11 119.909 119.909 120.202 -0.293 19217 6109 1 17 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.420 0.191 19217 6110 1 17 . 1 1 11 11 HIS CA C 11 56.994 56.994 59.015 -2.021 19217 6111 1 17 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.768 -0.159 19217 6112 1 17 . 1 1 11 11 HIS H H 11 8.402 8.402 7.908 0.494 19217 6113 1 17 . 1 1 12 12 ILE N N 12 121.819 121.819 119.112 2.707 19217 6114 1 17 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.705 0.154 19217 6115 1 17 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.625 -1.260 19217 6116 1 17 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.608 0.748 19217 6117 1 17 . 1 1 12 12 ILE H H 12 8.152 8.152 7.557 0.595 19217 6118 1 17 . 1 1 13 13 THR N N 13 116.420 116.420 114.185 2.235 19217 6119 1 17 . 1 1 13 13 THR HA H 13 3.933 3.933 3.951 -0.018 19217 6120 1 17 . 1 1 13 13 THR CA C 13 64.847 64.847 66.645 -1.798 19217 6121 1 17 . 1 1 13 13 THR CB C 13 68.899 68.899 68.483 0.416 19217 6122 1 17 . 1 1 13 13 THR H H 13 8.095 8.095 7.848 0.247 19217 6123 1 17 . 1 1 14 14 SER N N 14 116.367 116.367 116.956 -0.589 19217 6124 1 17 . 1 1 14 14 SER HA H 14 4.230 4.230 4.163 0.067 19217 6125 1 17 . 1 1 14 14 SER CA C 14 60.111 60.111 61.588 -1.477 19217 6126 1 17 . 1 1 14 14 SER CB C 14 63.317 63.317 62.859 0.458 19217 6127 1 17 . 1 1 14 14 SER H H 14 8.111 8.111 7.771 0.340 19217 6128 1 17 . 1 1 15 15 ALA N N 15 124.756 124.756 124.746 0.010 19217 6129 1 17 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.218 -0.088 19217 6130 1 17 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.961 -0.123 19217 6131 1 17 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.392 0.373 19217 6132 1 17 . 1 1 15 15 ALA H H 15 8.248 8.248 7.458 0.790 19217 6133 1 17 . 1 1 16 16 LEU N N 16 116.067 116.067 118.986 -2.919 19217 6134 1 17 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.145 -0.106 19217 6135 1 17 . 1 1 16 16 LEU CA C 16 57.875 57.875 57.849 0.026 19217 6136 1 17 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.826 -0.434 19217 6137 1 17 . 1 1 16 16 LEU H H 16 8.188 8.188 8.231 -0.043 19217 6138 1 17 . 1 1 17 17 LYS N N 17 119.021 119.021 119.172 -0.151 19217 6139 1 17 . 1 1 17 17 LYS HA H 17 3.829 3.829 4.074 -0.245 19217 6140 1 17 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.630 -0.704 19217 6141 1 17 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.242 -0.279 19217 6142 1 17 . 1 1 17 17 LYS H H 17 7.870 7.870 7.567 0.303 19217 6143 1 17 . 1 1 18 18 LYS N N 18 117.677 117.677 119.191 -1.514 19217 6144 1 17 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.167 -0.056 19217 6145 1 17 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.893 -0.189 19217 6146 1 17 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.528 -0.308 19217 6147 1 17 . 1 1 18 18 LYS H H 18 7.598 7.598 7.491 0.107 19217 6148 1 17 . 1 1 19 19 LEU N N 19 117.430 117.430 121.497 -4.067 19217 6149 1 17 . 1 1 19 19 LEU HA H 19 4.075 4.075 4.163 -0.088 19217 6150 1 17 . 1 1 19 19 LEU CA C 19 57.521 57.521 58.212 -0.691 19217 6151 1 17 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.996 -0.041 19217 6152 1 17 . 1 1 19 19 LEU H H 19 7.594 7.594 8.367 -0.773 19217 6153 1 17 . 1 1 20 20 VAL N N 20 118.252 118.252 117.883 0.369 19217 6154 1 17 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.621 -0.258 19217 6155 1 17 . 1 1 20 20 VAL CA C 20 66.046 66.046 66.083 -0.037 19217 6156 1 17 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.604 -0.448 19217 6157 1 17 . 1 1 20 20 VAL H H 20 7.662 7.662 7.866 -0.204 19217 6158 1 17 . 1 1 21 21 ASP N N 21 119.557 119.557 118.878 0.679 19217 6159 1 17 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.534 -0.064 19217 6160 1 17 . 1 1 21 21 ASP CA C 21 56.646 56.646 55.927 0.719 19217 6161 1 17 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.946 -0.031 19217 6162 1 17 . 1 1 21 21 ASP H H 21 7.645 7.645 7.945 -0.300 19217 6163 1 17 . 1 1 22 22 LYS N N 22 117.493 117.493 118.852 -1.359 19217 6164 1 17 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.542 0.013 19217 6165 1 17 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.384 0.887 19217 6166 1 17 . 1 1 22 22 LYS CB C 22 33.805 33.805 32.437 1.368 19217 6167 1 17 . 1 1 22 22 LYS H H 22 7.782 7.782 7.709 0.073 19217 6168 1 17 . 1 1 23 23 TYR N N 23 121.877 121.877 121.613 0.264 19217 6169 1 17 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.161 -0.462 19217 6170 1 17 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.748 0.628 19217 6171 1 17 . 1 1 23 23 TYR CB C 23 40.332 40.332 39.016 1.316 19217 6172 1 17 . 1 1 23 23 TYR H H 23 7.738 7.738 7.515 0.223 19217 6173 1 17 . 1 1 24 24 ARG N N 24 111.739 111.739 116.231 -4.492 19217 6174 1 17 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.268 -0.126 19217 6175 1 17 . 1 1 24 24 ARG CA C 24 57.874 57.874 57.735 0.139 19217 6176 1 17 . 1 1 24 24 ARG CB C 24 29.799 29.799 30.086 -0.287 19217 6177 1 17 . 1 1 24 24 ARG H H 24 8.577 8.577 8.516 0.061 19217 6178 1 17 . 1 1 25 25 ASN N N 25 113.359 113.359 117.009 -3.650 19217 6179 1 17 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.647 0.373 19217 6180 1 17 . 1 1 25 25 ASN CA C 25 53.315 53.315 55.238 -1.923 19217 6181 1 17 . 1 1 25 25 ASN CB C 25 40.874 40.874 39.094 1.780 19217 6182 1 17 . 1 1 25 25 ASN H H 25 7.711 7.711 8.152 -0.441 19217 6183 1 17 . 1 1 26 26 ASP N N 26 120.181 120.181 119.111 1.070 19217 6184 1 17 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.913 0.018 19217 6185 1 17 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.182 0.414 19217 6186 1 17 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.233 0.402 19217 6187 1 17 . 1 1 26 26 ASP H H 26 7.424 7.424 8.004 -0.580 19217 6188 1 17 . 1 1 27 27 GLU N N 27 126.678 126.678 124.919 1.759 19217 6189 1 17 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.909 -0.107 19217 6190 1 17 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.471 -0.281 19217 6191 1 17 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.592 0.167 19217 6192 1 17 . 1 1 27 27 GLU H H 27 9.073 9.073 8.896 0.177 19217 6193 1 17 . 1 1 28 28 HIS N N 28 118.927 118.927 118.718 0.209 19217 6194 1 17 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.298 0.113 19217 6195 1 17 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.032 0.745 19217 6196 1 17 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.765 -1.948 19217 6197 1 17 . 1 1 28 28 HIS H H 28 8.585 8.585 8.493 0.092 19217 6198 1 17 . 1 1 29 29 VAL N N 29 120.860 120.860 117.890 2.970 19217 6199 1 17 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.821 -0.381 19217 6200 1 17 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.951 0.726 19217 6201 1 17 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.446 0.058 19217 6202 1 17 . 1 1 29 29 VAL H H 29 7.811 7.811 7.576 0.235 19217 6203 1 17 . 1 1 30 30 ARG N N 30 119.042 119.042 120.090 -1.048 19217 6204 1 17 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.468 0.408 19217 6205 1 17 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.716 0.558 19217 6206 1 17 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.402 0.653 19217 6207 1 17 . 1 1 30 30 ARG H H 30 7.919 7.919 7.915 0.004 19217 6208 1 17 . 1 1 31 31 LYS N N 31 116.630 116.630 118.781 -2.151 19217 6209 1 17 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.049 0.077 19217 6210 1 17 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.362 0.223 19217 6211 1 17 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.769 0.694 19217 6212 1 17 . 1 1 31 31 LYS H H 31 7.583 7.583 7.563 0.020 19217 6213 1 17 . 1 1 32 32 VAL N N 32 118.507 118.507 120.266 -1.759 19217 6214 1 17 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.779 0.006 19217 6215 1 17 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.394 -0.295 19217 6216 1 17 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.556 0.714 19217 6217 1 17 . 1 1 32 32 VAL H H 32 7.576 7.576 7.318 0.258 19217 6218 1 17 . 1 1 33 33 PHE N N 33 120.874 120.874 119.805 1.069 19217 6219 1 17 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.163 0.113 19217 6220 1 17 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.855 -0.340 19217 6221 1 17 . 1 1 33 33 PHE CB C 33 39.353 39.353 38.836 0.517 19217 6222 1 17 . 1 1 33 33 PHE H H 33 9.246 9.246 8.986 0.260 19217 6223 1 17 . 1 1 34 34 ASP N N 34 119.331 119.331 120.020 -0.689 19217 6224 1 17 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.426 0.102 19217 6225 1 17 . 1 1 34 34 ASP CA C 34 58.608 58.608 58.038 0.570 19217 6226 1 17 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.789 -0.868 19217 6227 1 17 . 1 1 34 34 ASP H H 34 9.507 9.507 8.653 0.854 19217 6228 1 17 . 1 1 35 35 GLU N N 35 118.378 118.378 119.591 -1.213 19217 6229 1 17 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.152 0.049 19217 6230 1 17 . 1 1 35 35 GLU CA C 35 59.722 59.722 58.773 0.949 19217 6231 1 17 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.408 0.151 19217 6232 1 17 . 1 1 35 35 GLU H H 35 7.334 7.334 7.707 -0.373 19217 6233 1 17 . 1 1 36 36 ILE N N 36 119.241 119.241 121.119 -1.878 19217 6234 1 17 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.606 -0.163 19217 6235 1 17 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.573 1.188 19217 6236 1 17 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.659 0.793 19217 6237 1 17 . 1 1 36 36 ILE H H 36 8.054 8.054 7.700 0.354 19217 6238 1 17 . 1 1 37 37 GLN N N 37 117.541 117.541 118.843 -1.302 19217 6239 1 17 . 1 1 37 37 GLN HA H 37 4.405 4.405 4.161 0.244 19217 6240 1 17 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.289 0.727 19217 6241 1 17 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.854 -0.471 19217 6242 1 17 . 1 1 37 37 GLN H H 37 8.517 8.517 8.667 -0.150 19217 6243 1 17 . 1 1 38 38 GLN N N 38 113.900 113.900 118.405 -4.505 19217 6244 1 17 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.141 0.103 19217 6245 1 17 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.376 0.146 19217 6246 1 17 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.755 1.440 19217 6247 1 17 . 1 1 38 38 GLN H H 38 8.023 8.023 7.731 0.292 19217 6248 1 17 . 1 1 39 39 LYS N N 39 117.850 117.850 119.953 -2.103 19217 6249 1 17 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.926 0.230 19217 6250 1 17 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.087 -0.204 19217 6251 1 17 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.086 0.833 19217 6252 1 17 . 1 1 39 39 LYS H H 39 8.480 8.480 8.304 0.176 19217 6253 1 17 . 1 1 40 40 LEU N N 40 114.726 114.726 115.820 -1.094 19217 6254 1 17 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.434 -0.251 19217 6255 1 17 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.111 0.119 19217 6256 1 17 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.719 -0.930 19217 6257 1 17 . 1 1 40 40 LEU H H 40 8.427 8.427 7.967 0.460 19217 6258 1 17 . 1 1 41 41 HIS N N 41 115.299 115.299 113.836 1.463 19217 6259 1 17 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.256 -0.811 19217 6260 1 17 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.375 -2.652 19217 6261 1 17 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.725 -0.507 19217 6262 1 17 . 1 1 41 41 HIS H H 41 7.466 7.466 7.303 0.163 19217 6263 1 17 . 1 1 42 42 CYS N N 42 116.999 116.999 111.222 5.777 19217 6264 1 17 . 1 1 42 42 CYS HA H 42 5.064 5.064 5.047 0.017 19217 6265 1 17 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.382 -2.549 19217 6266 1 17 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.659 16.119 19217 6267 1 17 . 1 1 42 42 CYS H H 42 8.205 8.205 7.929 0.276 19217 6268 1 17 . 1 1 43 43 CYS N N 43 117.175 117.175 120.842 -3.667 19217 6269 1 17 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.199 -0.057 19217 6270 1 17 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.436 -3.995 19217 6271 1 17 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.454 13.474 19217 6272 1 17 . 1 1 43 43 CYS H H 43 9.131 9.131 8.393 0.738 19217 6273 1 17 . 1 1 44 44 GLY N N 44 113.879 113.879 113.125 0.754 19217 6274 1 17 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.235 -1.685 19217 6275 1 17 . 1 1 44 44 GLY H H 44 8.913 8.913 8.536 0.377 19217 6276 1 17 . 1 1 45 45 ALA N N 45 122.305 122.305 122.239 0.066 19217 6277 1 17 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.149 0.375 19217 6278 1 17 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.343 -1.519 19217 6279 1 17 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.612 -0.890 19217 6280 1 17 . 1 1 45 45 ALA H H 45 9.057 9.057 8.146 0.911 19217 6281 1 17 . 1 1 46 46 ASP N N 46 119.678 119.678 113.345 6.333 19217 6282 1 17 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.865 -0.252 19217 6283 1 17 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.251 2.846 19217 6284 1 17 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.244 -0.766 19217 6285 1 17 . 1 1 46 46 ASP H H 46 9.741 9.741 8.079 1.662 19217 6286 1 17 . 1 1 47 47 SER N N 47 112.389 112.389 111.019 1.370 19217 6287 1 17 . 1 1 47 47 SER HA H 47 4.654 4.654 4.837 -0.183 19217 6288 1 17 . 1 1 47 47 SER CA C 47 57.626 57.626 56.696 0.930 19217 6289 1 17 . 1 1 47 47 SER CB C 47 64.037 64.037 63.445 0.592 19217 6290 1 17 . 1 1 47 47 SER H H 47 7.798 7.798 7.338 0.460 19217 6291 1 17 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.404 -0.259 19217 6292 1 17 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.663 0.467 19217 6293 1 17 . 1 1 48 48 PRO CB C 48 32.347 32.347 31.914 0.433 19217 6294 1 17 . 1 1 49 49 LYS N N 49 115.074 115.074 116.611 -1.537 19217 6295 1 17 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.063 0.154 19217 6296 1 17 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.166 -0.867 19217 6297 1 17 . 1 1 49 49 LYS CB C 49 30.913 30.913 30.705 0.208 19217 6298 1 17 . 1 1 49 49 LYS H H 49 8.151 8.151 8.094 0.057 19217 6299 1 17 . 1 1 50 50 ASP N N 50 122.818 122.818 119.283 3.535 19217 6300 1 17 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.263 0.049 19217 6301 1 17 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.274 0.975 19217 6302 1 17 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.228 1.253 19217 6303 1 17 . 1 1 50 50 ASP H H 50 8.149 8.149 7.580 0.569 19217 6304 1 17 . 1 1 51 51 TYR N N 51 114.312 114.312 116.051 -1.739 19217 6305 1 17 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.336 0.040 19217 6306 1 17 . 1 1 51 51 TYR CA C 51 58.836 58.836 58.876 -0.040 19217 6307 1 17 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.521 -0.617 19217 6308 1 17 . 1 1 51 51 TYR H H 51 7.260 7.260 7.282 -0.022 19217 6309 1 17 . 1 1 52 52 GLY N N 52 109.793 109.793 107.165 2.628 19217 6310 1 17 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.219 0.620 19217 6311 1 17 . 1 1 52 52 GLY H H 52 7.967 7.967 7.368 0.599 19217 6312 1 17 . 1 1 53 53 GLU N N 53 123.571 123.571 123.530 0.041 19217 6313 1 17 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.495 -0.293 19217 6314 1 17 . 1 1 53 53 GLU CA C 53 57.105 57.105 55.779 1.326 19217 6315 1 17 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.348 0.672 19217 6316 1 17 . 1 1 53 53 GLU H H 53 8.788 8.788 8.802 -0.014 19217 6317 1 17 . 1 1 54 54 ASN N N 54 115.160 115.160 117.199 -2.039 19217 6318 1 17 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.848 0.374 19217 6319 1 17 . 1 1 54 54 ASN CA C 54 50.964 50.964 51.412 -0.448 19217 6320 1 17 . 1 1 54 54 ASN CB C 54 40.400 40.400 38.027 2.373 19217 6321 1 17 . 1 1 54 54 ASN H H 54 7.853 7.853 7.933 -0.080 19217 6322 1 17 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.363 -0.318 19217 6323 1 17 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.849 -0.561 19217 6324 1 17 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.485 -0.815 19217 6325 1 17 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.324 0.209 19217 6326 1 17 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.105 -0.411 19217 6327 1 17 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.302 1.155 19217 6328 1 17 . 1 1 57 57 THR N N 57 116.449 116.449 114.445 2.004 19217 6329 1 17 . 1 1 57 57 THR HA H 57 3.832 3.832 3.924 -0.092 19217 6330 1 17 . 1 1 57 57 THR CA C 57 65.318 65.318 65.181 0.137 19217 6331 1 17 . 1 1 57 57 THR CB C 57 68.433 68.433 68.695 -0.263 19217 6332 1 17 . 1 1 57 57 THR H H 57 8.894 8.894 8.704 0.190 19217 6333 1 17 . 1 1 58 58 SER N N 58 113.767 113.767 115.993 -2.226 19217 6334 1 17 . 1 1 58 58 SER HA H 58 4.409 4.409 4.266 0.143 19217 6335 1 17 . 1 1 58 58 SER CA C 58 59.123 59.123 60.960 -1.837 19217 6336 1 17 . 1 1 58 58 SER CB C 58 62.669 62.669 62.257 0.412 19217 6337 1 17 . 1 1 58 58 SER H H 58 7.839 7.839 8.408 -0.569 19217 6338 1 17 . 1 1 59 59 CYS N N 59 117.062 117.062 121.226 -4.164 19217 6339 1 17 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.409 0.373 19217 6340 1 17 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.898 1.014 19217 6341 1 17 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.373 19.444 19217 6342 1 17 . 1 1 59 59 CYS H H 59 7.397 7.397 7.882 -0.485 19217 6343 1 17 . 1 1 60 60 SER N N 60 112.368 112.368 113.274 -0.906 19217 6344 1 17 . 1 1 60 60 SER HA H 60 4.258 4.258 4.643 -0.385 19217 6345 1 17 . 1 1 60 60 SER CA C 60 56.925 56.925 56.012 0.913 19217 6346 1 17 . 1 1 60 60 SER CB C 60 67.049 67.049 66.013 1.036 19217 6347 1 17 . 1 1 60 60 SER H H 60 7.486 7.486 7.270 0.216 19217 6348 1 17 . 1 1 61 61 LYS N N 61 120.402 120.402 122.177 -1.775 19217 6349 1 17 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.554 -0.163 19217 6350 1 17 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.190 -0.873 19217 6351 1 17 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.868 1.075 19217 6352 1 17 . 1 1 61 61 LYS H H 61 7.918 7.918 8.368 -0.450 19217 6353 1 17 . 1 1 62 62 ASP N N 62 128.253 128.253 124.385 3.868 19217 6354 1 17 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.367 -0.087 19217 6355 1 17 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.068 0.631 19217 6356 1 17 . 1 1 62 62 ASP CB C 62 39.522 39.522 39.988 -0.466 19217 6357 1 17 . 1 1 62 62 ASP H H 62 9.517 9.517 8.894 0.623 19217 6358 1 17 . 1 1 63 63 GLY N N 63 103.421 103.421 103.864 -0.443 19217 6359 1 17 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.300 -0.098 19217 6360 1 17 . 1 1 63 63 GLY H H 63 8.597 8.597 8.423 0.174 19217 6361 1 17 . 1 1 64 64 VAL N N 64 122.304 122.304 118.237 4.067 19217 6362 1 17 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.360 -0.301 19217 6363 1 17 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.278 1.365 19217 6364 1 17 . 1 1 64 64 VAL CB C 64 33.283 33.283 34.998 -1.715 19217 6365 1 17 . 1 1 64 64 VAL H H 64 7.630 7.630 7.180 0.450 19217 6366 1 17 . 1 1 65 65 GLN N N 65 126.376 126.376 122.855 3.521 19217 6367 1 17 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.466 -0.343 19217 6368 1 17 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.248 0.736 19217 6369 1 17 . 1 1 65 65 GLN CB C 65 30.137 30.137 31.223 -1.086 19217 6370 1 17 . 1 1 65 65 GLN H H 65 8.366 8.366 8.276 0.090 19217 6371 1 17 . 1 1 66 66 PHE N N 66 126.770 126.770 124.190 2.580 19217 6372 1 17 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.608 0.317 19217 6373 1 17 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.793 -1.351 19217 6374 1 17 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.482 -0.890 19217 6375 1 17 . 1 1 66 66 PHE H H 66 8.606 8.606 8.095 0.511 19217 6376 1 17 . 1 1 67 67 THR N N 67 110.796 110.796 113.944 -3.148 19217 6377 1 17 . 1 1 67 67 THR HA H 67 4.378 4.378 4.453 -0.075 19217 6378 1 17 . 1 1 67 67 THR CA C 67 62.290 62.290 61.573 0.717 19217 6379 1 17 . 1 1 67 67 THR CB C 67 69.730 69.730 68.797 0.933 19217 6380 1 17 . 1 1 67 67 THR H H 67 8.105 8.105 8.652 -0.547 19217 6381 1 17 . 1 1 68 68 GLU N N 68 122.415 122.415 121.467 0.948 19217 6382 1 17 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.699 -0.063 19217 6383 1 17 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.650 0.619 19217 6384 1 17 . 1 1 68 68 GLU CB C 68 32.089 32.089 33.068 -0.979 19217 6385 1 17 . 1 1 68 68 GLU H H 68 8.171 8.171 7.976 0.195 19217 6386 1 17 . 1 1 69 69 GLY N N 69 109.155 109.155 107.989 1.166 19217 6387 1 17 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.192 0.169 19217 6388 1 17 . 1 1 69 69 GLY H H 69 8.870 8.870 8.554 0.316 19217 6389 1 17 . 1 1 70 70 CYS N N 70 116.376 116.376 118.450 -2.074 19217 6390 1 17 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.793 -0.348 19217 6391 1 17 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.740 -3.292 19217 6392 1 17 . 1 1 70 70 CYS CB C 70 41.791 41.791 29.054 12.737 19217 6393 1 17 . 1 1 70 70 CYS H H 70 8.335 8.335 8.427 -0.092 19217 6394 1 17 . 1 1 71 71 ILE N N 71 121.812 121.812 121.249 0.563 19217 6395 1 17 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.541 -0.022 19217 6396 1 17 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.058 0.749 19217 6397 1 17 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.629 -0.803 19217 6398 1 17 . 1 1 71 71 ILE H H 71 9.129 9.129 8.691 0.438 19217 6399 1 17 . 1 1 72 72 LYS N N 72 121.424 121.424 117.606 3.818 19217 6400 1 17 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.192 -0.177 19217 6401 1 17 . 1 1 72 72 LYS CA C 72 59.203 59.203 58.225 0.978 19217 6402 1 17 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.124 -0.041 19217 6403 1 17 . 1 1 72 72 LYS H H 72 8.179 8.179 8.312 -0.133 19217 6404 1 17 . 1 1 73 73 LYS N N 73 115.131 115.131 119.836 -4.705 19217 6405 1 17 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.144 0.039 19217 6406 1 17 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.297 -1.555 19217 6407 1 17 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.287 -0.105 19217 6408 1 17 . 1 1 73 73 LYS H H 73 7.287 7.287 7.810 -0.523 19217 6409 1 17 . 1 1 74 74 VAL N N 74 117.637 117.637 115.872 1.765 19217 6410 1 17 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.672 -0.040 19217 6411 1 17 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.363 -0.424 19217 6412 1 17 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.956 0.476 19217 6413 1 17 . 1 1 74 74 VAL H H 74 8.398 8.398 8.586 -0.188 19217 6414 1 17 . 1 1 75 75 SER N N 75 117.090 117.090 116.340 0.750 19217 6415 1 17 . 1 1 75 75 SER HA H 75 4.144 4.144 4.047 0.097 19217 6416 1 17 . 1 1 75 75 SER CA C 75 61.816 61.816 61.678 0.138 19217 6417 1 17 . 1 1 75 75 SER CB C 75 62.840 62.840 62.485 0.355 19217 6418 1 17 . 1 1 75 75 SER H H 75 8.249 8.249 7.822 0.427 19217 6419 1 17 . 1 1 76 76 ASP N N 76 121.102 121.102 122.852 -1.750 19217 6420 1 17 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.435 0.041 19217 6421 1 17 . 1 1 76 76 ASP CA C 76 56.417 56.417 56.988 -0.571 19217 6422 1 17 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.766 -0.329 19217 6423 1 17 . 1 1 76 76 ASP H H 76 8.240 8.240 7.518 0.722 19217 6424 1 17 . 1 1 77 77 LEU N N 77 119.967 119.967 116.159 3.808 19217 6425 1 17 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.361 -0.150 19217 6426 1 17 . 1 1 77 77 LEU CA C 77 56.660 56.660 56.801 -0.141 19217 6427 1 17 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.764 0.452 19217 6428 1 17 . 1 1 77 77 LEU H H 77 7.728 7.728 7.413 0.315 19217 6429 1 17 . 1 1 78 78 SER N N 78 113.729 113.729 114.947 -1.218 19217 6430 1 17 . 1 1 78 78 SER HA H 78 4.379 4.379 4.185 0.194 19217 6431 1 17 . 1 1 78 78 SER CA C 78 59.286 59.286 61.340 -2.054 19217 6432 1 17 . 1 1 78 78 SER CB C 78 63.761 63.761 63.529 0.232 19217 6433 1 17 . 1 1 78 78 SER H H 78 7.873 7.873 8.247 -0.374 19217 6434 1 17 . 1 1 79 79 LYS N N 79 121.616 121.616 117.739 3.877 19217 6435 1 17 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.162 0.126 19217 6436 1 17 . 1 1 79 79 LYS CA C 79 56.416 56.416 57.416 -1.000 19217 6437 1 17 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.571 0.271 19217 6438 1 17 . 1 1 79 79 LYS H H 79 7.741 7.741 7.677 0.064 19217 6439 1 17 . 1 1 80 80 ALA N N 80 124.562 124.562 122.864 1.698 19217 6440 1 17 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.103 0.171 19217 6441 1 17 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.671 -0.058 19217 6442 1 17 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.384 -0.114 19217 6443 1 17 . 1 1 80 80 ALA H H 80 8.044 8.044 7.449 0.595 19217 6444 1 18 . 1 1 2 2 SER N N 2 115.654 115.654 117.341 -1.687 19217 6445 1 18 . 1 1 2 2 SER HA H 2 4.496 4.496 4.577 -0.081 19217 6446 1 18 . 1 1 2 2 SER CA C 2 58.438 58.438 58.091 0.347 19217 6447 1 18 . 1 1 2 2 SER CB C 2 63.859 63.859 64.020 -0.161 19217 6448 1 18 . 1 1 2 2 SER H H 2 8.716 8.716 8.252 0.464 19217 6449 1 18 . 1 1 3 3 ASN N N 3 120.885 120.885 123.374 -2.489 19217 6450 1 18 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.857 -0.129 19217 6451 1 18 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.318 0.001 19217 6452 1 18 . 1 1 3 3 ASN CB C 3 38.647 38.647 38.401 0.246 19217 6453 1 18 . 1 1 3 3 ASN H H 3 8.703 8.703 8.787 -0.084 19217 6454 1 18 . 1 1 4 4 GLU N N 4 120.920 120.920 119.599 1.321 19217 6455 1 18 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.495 -0.223 19217 6456 1 18 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.147 0.287 19217 6457 1 18 . 1 1 4 4 GLU CB C 4 30.469 30.469 29.796 0.673 19217 6458 1 18 . 1 1 4 4 GLU H H 4 8.261 8.261 8.449 -0.188 19217 6459 1 18 . 1 1 5 5 LYS N N 5 124.113 124.113 122.223 1.890 19217 6460 1 18 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.580 -0.032 19217 6461 1 18 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.147 0.483 19217 6462 1 18 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.915 -0.821 19217 6463 1 18 . 1 1 5 5 LYS H H 5 8.452 8.452 8.275 0.177 19217 6464 1 18 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.527 -0.145 19217 6465 1 18 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.653 0.713 19217 6466 1 18 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.568 -0.435 19217 6467 1 18 . 1 1 7 7 LYS N N 7 121.721 121.721 119.382 2.339 19217 6468 1 18 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.442 -0.160 19217 6469 1 18 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.136 1.444 19217 6470 1 18 . 1 1 7 7 LYS CB C 7 32.989 32.989 34.623 -1.634 19217 6471 1 18 . 1 1 7 7 LYS H H 7 8.449 8.449 8.096 0.353 19217 6472 1 18 . 1 1 8 8 VAL N N 8 121.294 121.294 122.307 -1.013 19217 6473 1 18 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.214 -0.184 19217 6474 1 18 . 1 1 8 8 VAL CA C 8 62.751 62.751 62.014 0.737 19217 6475 1 18 . 1 1 8 8 VAL CB C 8 32.778 32.778 32.780 -0.002 19217 6476 1 18 . 1 1 8 8 VAL H H 8 8.062 8.062 8.534 -0.472 19217 6477 1 18 . 1 1 9 9 LYS N N 9 125.108 125.108 125.781 -0.673 19217 6478 1 18 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.078 0.123 19217 6479 1 18 . 1 1 9 9 LYS CA C 9 57.275 57.275 59.159 -1.884 19217 6480 1 18 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.224 0.658 19217 6481 1 18 . 1 1 9 9 LYS H H 9 8.429 8.429 8.917 -0.488 19217 6482 1 18 . 1 1 10 10 LYS N N 10 122.428 122.428 116.723 5.705 19217 6483 1 18 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.384 -0.184 19217 6484 1 18 . 1 1 10 10 LYS CA C 10 57.424 57.424 56.193 1.231 19217 6485 1 18 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.599 1.310 19217 6486 1 18 . 1 1 10 10 LYS H H 10 8.322 8.322 8.437 -0.115 19217 6487 1 18 . 1 1 11 11 HIS N N 11 119.909 119.909 120.538 -0.629 19217 6488 1 18 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.465 0.146 19217 6489 1 18 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.774 -1.780 19217 6490 1 18 . 1 1 11 11 HIS CB C 11 29.609 29.609 30.131 -0.522 19217 6491 1 18 . 1 1 11 11 HIS H H 11 8.402 8.402 7.985 0.417 19217 6492 1 18 . 1 1 12 12 ILE N N 12 121.819 121.819 119.040 2.779 19217 6493 1 18 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.634 0.225 19217 6494 1 18 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.080 -1.715 19217 6495 1 18 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.634 0.721 19217 6496 1 18 . 1 1 12 12 ILE H H 12 8.152 8.152 7.739 0.413 19217 6497 1 18 . 1 1 13 13 THR N N 13 116.420 116.420 113.743 2.677 19217 6498 1 18 . 1 1 13 13 THR HA H 13 3.933 3.933 3.898 0.035 19217 6499 1 18 . 1 1 13 13 THR CA C 13 64.847 64.847 66.385 -1.538 19217 6500 1 18 . 1 1 13 13 THR CB C 13 68.899 68.899 68.245 0.654 19217 6501 1 18 . 1 1 13 13 THR H H 13 8.095 8.095 7.819 0.276 19217 6502 1 18 . 1 1 14 14 SER N N 14 116.367 116.367 116.674 -0.307 19217 6503 1 18 . 1 1 14 14 SER HA H 14 4.230 4.230 4.150 0.080 19217 6504 1 18 . 1 1 14 14 SER CA C 14 60.111 60.111 61.035 -0.924 19217 6505 1 18 . 1 1 14 14 SER CB C 14 63.317 63.317 62.574 0.743 19217 6506 1 18 . 1 1 14 14 SER H H 14 8.111 8.111 7.731 0.380 19217 6507 1 18 . 1 1 15 15 ALA N N 15 124.756 124.756 124.469 0.287 19217 6508 1 18 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.174 -0.044 19217 6509 1 18 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.818 0.021 19217 6510 1 18 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.462 0.303 19217 6511 1 18 . 1 1 15 15 ALA H H 15 8.248 8.248 7.368 0.880 19217 6512 1 18 . 1 1 16 16 LEU N N 16 116.067 116.067 119.023 -2.956 19217 6513 1 18 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.308 -0.269 19217 6514 1 18 . 1 1 16 16 LEU CA C 16 57.875 57.875 57.606 0.269 19217 6515 1 18 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.978 -0.586 19217 6516 1 18 . 1 1 16 16 LEU H H 16 8.188 8.188 8.337 -0.149 19217 6517 1 18 . 1 1 17 17 LYS N N 17 119.021 119.021 119.908 -0.887 19217 6518 1 18 . 1 1 17 17 LYS HA H 17 3.829 3.829 4.009 -0.180 19217 6519 1 18 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.367 -0.441 19217 6520 1 18 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.171 -0.208 19217 6521 1 18 . 1 1 17 17 LYS H H 17 7.870 7.870 7.993 -0.123 19217 6522 1 18 . 1 1 18 18 LYS N N 18 117.677 117.677 118.863 -1.186 19217 6523 1 18 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.068 0.043 19217 6524 1 18 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.962 -0.258 19217 6525 1 18 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.023 0.197 19217 6526 1 18 . 1 1 18 18 LYS H H 18 7.598 7.598 7.545 0.053 19217 6527 1 18 . 1 1 19 19 LEU N N 19 117.430 117.430 121.742 -4.312 19217 6528 1 18 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.883 0.192 19217 6529 1 18 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.580 -0.059 19217 6530 1 18 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.659 0.296 19217 6531 1 18 . 1 1 19 19 LEU H H 19 7.594 7.594 7.470 0.124 19217 6532 1 18 . 1 1 20 20 VAL N N 20 118.252 118.252 115.218 3.034 19217 6533 1 18 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.309 0.054 19217 6534 1 18 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.979 1.067 19217 6535 1 18 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.804 -0.648 19217 6536 1 18 . 1 1 20 20 VAL H H 20 7.662 7.662 7.446 0.216 19217 6537 1 18 . 1 1 21 21 ASP N N 21 119.557 119.557 120.604 -1.047 19217 6538 1 18 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.472 -0.002 19217 6539 1 18 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.428 0.217 19217 6540 1 18 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.294 -0.379 19217 6541 1 18 . 1 1 21 21 ASP H H 21 7.645 7.645 7.609 0.036 19217 6542 1 18 . 1 1 22 22 LYS N N 22 117.493 117.493 119.217 -1.724 19217 6543 1 18 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.444 0.111 19217 6544 1 18 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.501 0.770 19217 6545 1 18 . 1 1 22 22 LYS CB C 22 33.805 33.805 31.819 1.986 19217 6546 1 18 . 1 1 22 22 LYS H H 22 7.782 7.782 8.095 -0.313 19217 6547 1 18 . 1 1 23 23 TYR N N 23 121.877 121.877 121.395 0.482 19217 6548 1 18 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.084 -0.385 19217 6549 1 18 . 1 1 23 23 TYR CA C 23 63.376 63.376 61.628 1.748 19217 6550 1 18 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.913 1.419 19217 6551 1 18 . 1 1 23 23 TYR H H 23 7.738 7.738 7.279 0.459 19217 6552 1 18 . 1 1 24 24 ARG N N 24 111.739 111.739 117.207 -5.468 19217 6553 1 18 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.387 -0.245 19217 6554 1 18 . 1 1 24 24 ARG CA C 24 57.874 57.874 55.852 2.022 19217 6555 1 18 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.634 0.166 19217 6556 1 18 . 1 1 24 24 ARG H H 24 8.577 8.577 8.507 0.070 19217 6557 1 18 . 1 1 25 25 ASN N N 25 113.359 113.359 117.037 -3.678 19217 6558 1 18 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.739 0.281 19217 6559 1 18 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.455 -1.140 19217 6560 1 18 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.176 0.698 19217 6561 1 18 . 1 1 25 25 ASN H H 25 7.711 7.711 7.744 -0.033 19217 6562 1 18 . 1 1 26 26 ASP N N 26 120.181 120.181 119.420 0.761 19217 6563 1 18 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.891 0.040 19217 6564 1 18 . 1 1 26 26 ASP CA C 26 53.596 53.596 52.954 0.642 19217 6565 1 18 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.263 0.372 19217 6566 1 18 . 1 1 26 26 ASP H H 26 7.424 7.424 7.712 -0.288 19217 6567 1 18 . 1 1 27 27 GLU N N 27 126.678 126.678 126.230 0.448 19217 6568 1 18 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.856 -0.054 19217 6569 1 18 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.313 -0.123 19217 6570 1 18 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.048 0.711 19217 6571 1 18 . 1 1 27 27 GLU H H 27 9.073 9.073 8.811 0.262 19217 6572 1 18 . 1 1 28 28 HIS N N 28 118.927 118.927 117.324 1.603 19217 6573 1 18 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.280 0.131 19217 6574 1 18 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.266 0.511 19217 6575 1 18 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.551 -1.734 19217 6576 1 18 . 1 1 28 28 HIS H H 28 8.585 8.585 8.425 0.160 19217 6577 1 18 . 1 1 29 29 VAL N N 29 120.860 120.860 117.936 2.924 19217 6578 1 18 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.737 -0.297 19217 6579 1 18 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.970 0.707 19217 6580 1 18 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.453 0.051 19217 6581 1 18 . 1 1 29 29 VAL H H 29 7.811 7.811 7.343 0.468 19217 6582 1 18 . 1 1 30 30 ARG N N 30 119.042 119.042 119.797 -0.755 19217 6583 1 18 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.642 0.234 19217 6584 1 18 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.733 0.541 19217 6585 1 18 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.471 0.584 19217 6586 1 18 . 1 1 30 30 ARG H H 30 7.919 7.919 7.344 0.575 19217 6587 1 18 . 1 1 31 31 LYS N N 31 116.630 116.630 118.986 -2.356 19217 6588 1 18 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.080 0.046 19217 6589 1 18 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.435 0.150 19217 6590 1 18 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.839 0.624 19217 6591 1 18 . 1 1 31 31 LYS H H 31 7.583 7.583 7.655 -0.072 19217 6592 1 18 . 1 1 32 32 VAL N N 32 118.507 118.507 120.279 -1.772 19217 6593 1 18 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.797 -0.012 19217 6594 1 18 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.385 -0.285 19217 6595 1 18 . 1 1 32 32 VAL CB C 32 32.270 32.270 32.025 0.245 19217 6596 1 18 . 1 1 32 32 VAL H H 32 7.576 7.576 7.341 0.235 19217 6597 1 18 . 1 1 33 33 PHE N N 33 120.874 120.874 119.694 1.180 19217 6598 1 18 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.245 0.031 19217 6599 1 18 . 1 1 33 33 PHE CA C 33 61.515 61.515 60.629 0.886 19217 6600 1 18 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.120 0.233 19217 6601 1 18 . 1 1 33 33 PHE H H 33 9.246 9.246 8.624 0.622 19217 6602 1 18 . 1 1 34 34 ASP N N 34 119.331 119.331 120.928 -1.597 19217 6603 1 18 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.417 0.111 19217 6604 1 18 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.822 0.787 19217 6605 1 18 . 1 1 34 34 ASP CB C 34 39.921 39.921 41.005 -1.084 19217 6606 1 18 . 1 1 34 34 ASP H H 34 9.507 9.507 8.517 0.990 19217 6607 1 18 . 1 1 35 35 GLU N N 35 118.378 118.378 119.310 -0.932 19217 6608 1 18 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.094 0.107 19217 6609 1 18 . 1 1 35 35 GLU CA C 35 59.722 59.722 58.892 0.830 19217 6610 1 18 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.289 0.270 19217 6611 1 18 . 1 1 35 35 GLU H H 35 7.334 7.334 7.637 -0.303 19217 6612 1 18 . 1 1 36 36 ILE N N 36 119.241 119.241 121.529 -2.288 19217 6613 1 18 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.568 -0.125 19217 6614 1 18 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.129 1.631 19217 6615 1 18 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.589 0.863 19217 6616 1 18 . 1 1 36 36 ILE H H 36 8.054 8.054 7.571 0.483 19217 6617 1 18 . 1 1 37 37 GLN N N 37 117.541 117.541 118.675 -1.134 19217 6618 1 18 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.926 0.479 19217 6619 1 18 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.039 0.977 19217 6620 1 18 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.694 -0.311 19217 6621 1 18 . 1 1 37 37 GLN H H 37 8.517 8.517 8.153 0.364 19217 6622 1 18 . 1 1 38 38 GLN N N 38 113.900 113.900 118.130 -4.230 19217 6623 1 18 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.117 0.127 19217 6624 1 18 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.335 0.187 19217 6625 1 18 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.747 1.448 19217 6626 1 18 . 1 1 38 38 GLN H H 38 8.023 8.023 7.753 0.270 19217 6627 1 18 . 1 1 39 39 LYS N N 39 117.850 117.850 119.728 -1.878 19217 6628 1 18 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.905 0.251 19217 6629 1 18 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.012 -0.129 19217 6630 1 18 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.064 0.855 19217 6631 1 18 . 1 1 39 39 LYS H H 39 8.480 8.480 8.254 0.226 19217 6632 1 18 . 1 1 40 40 LEU N N 40 114.726 114.726 115.614 -0.888 19217 6633 1 18 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.407 -0.224 19217 6634 1 18 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.486 -0.256 19217 6635 1 18 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.608 -0.819 19217 6636 1 18 . 1 1 40 40 LEU H H 40 8.427 8.427 7.858 0.569 19217 6637 1 18 . 1 1 41 41 HIS N N 41 115.299 115.299 113.861 1.438 19217 6638 1 18 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.264 -0.819 19217 6639 1 18 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.433 -2.710 19217 6640 1 18 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.877 -0.659 19217 6641 1 18 . 1 1 41 41 HIS H H 41 7.466 7.466 7.411 0.055 19217 6642 1 18 . 1 1 42 42 CYS N N 42 116.999 116.999 111.218 5.781 19217 6643 1 18 . 1 1 42 42 CYS HA H 42 5.064 5.064 5.057 0.007 19217 6644 1 18 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.011 -2.178 19217 6645 1 18 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.301 16.477 19217 6646 1 18 . 1 1 42 42 CYS H H 42 8.205 8.205 7.621 0.584 19217 6647 1 18 . 1 1 43 43 CYS N N 43 117.175 117.175 122.377 -5.202 19217 6648 1 18 . 1 1 43 43 CYS HA H 43 5.142 5.142 4.985 0.157 19217 6649 1 18 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.184 -3.743 19217 6650 1 18 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.390 13.538 19217 6651 1 18 . 1 1 43 43 CYS H H 43 9.131 9.131 8.560 0.571 19217 6652 1 18 . 1 1 44 44 GLY N N 44 113.879 113.879 115.781 -1.902 19217 6653 1 18 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.228 -1.678 19217 6654 1 18 . 1 1 44 44 GLY H H 44 8.913 8.913 8.506 0.407 19217 6655 1 18 . 1 1 45 45 ALA N N 45 122.305 122.305 123.655 -1.350 19217 6656 1 18 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.089 0.435 19217 6657 1 18 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.169 -1.345 19217 6658 1 18 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.319 -0.597 19217 6659 1 18 . 1 1 45 45 ALA H H 45 9.057 9.057 8.597 0.460 19217 6660 1 18 . 1 1 46 46 ASP N N 46 119.678 119.678 114.966 4.712 19217 6661 1 18 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.504 0.109 19217 6662 1 18 . 1 1 46 46 ASP CA C 46 57.097 57.097 55.435 1.662 19217 6663 1 18 . 1 1 46 46 ASP CB C 46 42.478 42.478 42.183 0.295 19217 6664 1 18 . 1 1 46 46 ASP H H 46 9.741 9.741 8.835 0.906 19217 6665 1 18 . 1 1 47 47 SER N N 47 112.389 112.389 111.293 1.096 19217 6666 1 18 . 1 1 47 47 SER HA H 47 4.654 4.654 4.786 -0.132 19217 6667 1 18 . 1 1 47 47 SER CA C 47 57.626 57.626 55.920 1.706 19217 6668 1 18 . 1 1 47 47 SER CB C 47 64.037 64.037 64.958 -0.921 19217 6669 1 18 . 1 1 47 47 SER H H 47 7.798 7.798 7.323 0.475 19217 6670 1 18 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.457 -0.312 19217 6671 1 18 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.078 1.052 19217 6672 1 18 . 1 1 48 48 PRO CB C 48 32.347 32.347 31.968 0.379 19217 6673 1 18 . 1 1 49 49 LYS N N 49 115.074 115.074 116.699 -1.625 19217 6674 1 18 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.153 0.064 19217 6675 1 18 . 1 1 49 49 LYS CA C 49 57.299 57.299 57.523 -0.224 19217 6676 1 18 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.213 -0.300 19217 6677 1 18 . 1 1 49 49 LYS H H 49 8.151 8.151 7.960 0.191 19217 6678 1 18 . 1 1 50 50 ASP N N 50 122.818 122.818 119.454 3.364 19217 6679 1 18 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.253 0.059 19217 6680 1 18 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.657 0.592 19217 6681 1 18 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.659 0.822 19217 6682 1 18 . 1 1 50 50 ASP H H 50 8.149 8.149 7.556 0.593 19217 6683 1 18 . 1 1 51 51 TYR N N 51 114.312 114.312 117.030 -2.718 19217 6684 1 18 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.330 0.046 19217 6685 1 18 . 1 1 51 51 TYR CA C 51 58.836 58.836 58.987 -0.151 19217 6686 1 18 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.036 -0.132 19217 6687 1 18 . 1 1 51 51 TYR H H 51 7.260 7.260 7.280 -0.020 19217 6688 1 18 . 1 1 52 52 GLY N N 52 109.793 109.793 107.203 2.590 19217 6689 1 18 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.543 0.296 19217 6690 1 18 . 1 1 52 52 GLY H H 52 7.967 7.967 7.720 0.247 19217 6691 1 18 . 1 1 53 53 GLU N N 53 123.571 123.571 122.396 1.175 19217 6692 1 18 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.544 -0.342 19217 6693 1 18 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.435 0.670 19217 6694 1 18 . 1 1 53 53 GLU CB C 53 30.020 30.020 30.052 -0.032 19217 6695 1 18 . 1 1 53 53 GLU H H 53 8.788 8.788 8.523 0.265 19217 6696 1 18 . 1 1 54 54 ASN N N 54 115.160 115.160 118.972 -3.812 19217 6697 1 18 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.958 0.264 19217 6698 1 18 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.212 -1.248 19217 6699 1 18 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.364 1.036 19217 6700 1 18 . 1 1 54 54 ASN H H 54 7.853 7.853 8.365 -0.512 19217 6701 1 18 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.191 -0.146 19217 6702 1 18 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.529 -0.241 19217 6703 1 18 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.048 -0.377 19217 6704 1 18 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.350 0.183 19217 6705 1 18 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.161 -0.467 19217 6706 1 18 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.364 1.093 19217 6707 1 18 . 1 1 57 57 THR N N 57 116.449 116.449 114.670 1.779 19217 6708 1 18 . 1 1 57 57 THR HA H 57 3.832 3.832 3.918 -0.086 19217 6709 1 18 . 1 1 57 57 THR CA C 57 65.318 65.318 65.623 -0.305 19217 6710 1 18 . 1 1 57 57 THR CB C 57 68.433 68.433 68.765 -0.332 19217 6711 1 18 . 1 1 57 57 THR H H 57 8.894 8.894 8.784 0.110 19217 6712 1 18 . 1 1 58 58 SER N N 58 113.767 113.767 115.993 -2.226 19217 6713 1 18 . 1 1 58 58 SER HA H 58 4.409 4.409 4.407 0.002 19217 6714 1 18 . 1 1 58 58 SER CA C 58 59.123 59.123 60.624 -1.501 19217 6715 1 18 . 1 1 58 58 SER CB C 58 62.669 62.669 62.023 0.646 19217 6716 1 18 . 1 1 58 58 SER H H 58 7.839 7.839 8.333 -0.494 19217 6717 1 18 . 1 1 59 59 CYS N N 59 117.062 117.062 122.167 -5.105 19217 6718 1 18 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.496 0.286 19217 6719 1 18 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.542 1.370 19217 6720 1 18 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.318 19.499 19217 6721 1 18 . 1 1 59 59 CYS H H 59 7.397 7.397 7.713 -0.316 19217 6722 1 18 . 1 1 60 60 SER N N 60 112.368 112.368 112.648 -0.280 19217 6723 1 18 . 1 1 60 60 SER HA H 60 4.258 4.258 4.592 -0.334 19217 6724 1 18 . 1 1 60 60 SER CA C 60 56.925 56.925 56.473 0.452 19217 6725 1 18 . 1 1 60 60 SER CB C 60 67.049 67.049 66.190 0.859 19217 6726 1 18 . 1 1 60 60 SER H H 60 7.486 7.486 7.272 0.214 19217 6727 1 18 . 1 1 61 61 LYS N N 61 120.402 120.402 121.801 -1.399 19217 6728 1 18 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.596 -0.205 19217 6729 1 18 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.833 -0.516 19217 6730 1 18 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.717 1.227 19217 6731 1 18 . 1 1 61 61 LYS H H 61 7.918 7.918 8.350 -0.432 19217 6732 1 18 . 1 1 62 62 ASP N N 62 128.253 128.253 125.607 2.646 19217 6733 1 18 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.412 -0.132 19217 6734 1 18 . 1 1 62 62 ASP CA C 62 55.699 55.699 54.670 1.029 19217 6735 1 18 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.287 -0.765 19217 6736 1 18 . 1 1 62 62 ASP H H 62 9.517 9.517 8.766 0.751 19217 6737 1 18 . 1 1 63 63 GLY N N 63 103.421 103.421 104.405 -0.984 19217 6738 1 18 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.018 0.184 19217 6739 1 18 . 1 1 63 63 GLY H H 63 8.597 8.597 8.264 0.333 19217 6740 1 18 . 1 1 64 64 VAL N N 64 122.304 122.304 118.724 3.580 19217 6741 1 18 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.458 -0.399 19217 6742 1 18 . 1 1 64 64 VAL CA C 64 61.642 61.642 59.752 1.891 19217 6743 1 18 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.057 -1.774 19217 6744 1 18 . 1 1 64 64 VAL H H 64 7.630 7.630 7.165 0.465 19217 6745 1 18 . 1 1 65 65 GLN N N 65 126.376 126.376 123.519 2.857 19217 6746 1 18 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.305 -0.182 19217 6747 1 18 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.090 0.894 19217 6748 1 18 . 1 1 65 65 GLN CB C 65 30.137 30.137 31.017 -0.880 19217 6749 1 18 . 1 1 65 65 GLN H H 65 8.366 8.366 8.347 0.019 19217 6750 1 18 . 1 1 66 66 PHE N N 66 126.770 126.770 125.939 0.831 19217 6751 1 18 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.555 0.370 19217 6752 1 18 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.698 -1.256 19217 6753 1 18 . 1 1 66 66 PHE CB C 66 37.592 37.592 37.893 -0.301 19217 6754 1 18 . 1 1 66 66 PHE H H 66 8.606 8.606 8.260 0.346 19217 6755 1 18 . 1 1 67 67 THR N N 67 110.796 110.796 113.361 -2.565 19217 6756 1 18 . 1 1 67 67 THR HA H 67 4.378 4.378 4.402 -0.024 19217 6757 1 18 . 1 1 67 67 THR CA C 67 62.290 62.290 61.378 0.912 19217 6758 1 18 . 1 1 67 67 THR CB C 67 69.730 69.730 69.069 0.661 19217 6759 1 18 . 1 1 67 67 THR H H 67 8.105 8.105 8.284 -0.180 19217 6760 1 18 . 1 1 68 68 GLU N N 68 122.415 122.415 120.247 2.168 19217 6761 1 18 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.575 0.061 19217 6762 1 18 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.377 0.892 19217 6763 1 18 . 1 1 68 68 GLU CB C 68 32.089 32.089 31.718 0.371 19217 6764 1 18 . 1 1 68 68 GLU H H 68 8.171 8.171 7.847 0.324 19217 6765 1 18 . 1 1 69 69 GLY N N 69 109.155 109.155 109.389 -0.234 19217 6766 1 18 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.980 -0.619 19217 6767 1 18 . 1 1 69 69 GLY H H 69 8.870 8.870 8.629 0.241 19217 6768 1 18 . 1 1 70 70 CYS N N 70 116.376 116.376 119.118 -2.742 19217 6769 1 18 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.582 -0.137 19217 6770 1 18 . 1 1 70 70 CYS CA C 70 56.449 56.449 60.392 -3.942 19217 6771 1 18 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.092 13.699 19217 6772 1 18 . 1 1 70 70 CYS H H 70 8.335 8.335 8.519 -0.184 19217 6773 1 18 . 1 1 71 71 ILE N N 71 121.812 121.812 120.896 0.916 19217 6774 1 18 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.563 -0.044 19217 6775 1 18 . 1 1 71 71 ILE CA C 71 66.807 66.807 65.897 0.910 19217 6776 1 18 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.554 -0.728 19217 6777 1 18 . 1 1 71 71 ILE H H 71 9.129 9.129 8.611 0.518 19217 6778 1 18 . 1 1 72 72 LYS N N 72 121.424 121.424 117.901 3.523 19217 6779 1 18 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.100 -0.085 19217 6780 1 18 . 1 1 72 72 LYS CA C 72 59.203 59.203 58.640 0.563 19217 6781 1 18 . 1 1 72 72 LYS CB C 72 32.083 32.083 31.895 0.188 19217 6782 1 18 . 1 1 72 72 LYS H H 72 8.179 8.179 8.380 -0.201 19217 6783 1 18 . 1 1 73 73 LYS N N 73 115.131 115.131 120.093 -4.962 19217 6784 1 18 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.098 0.085 19217 6785 1 18 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.845 -1.103 19217 6786 1 18 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.058 0.124 19217 6787 1 18 . 1 1 73 73 LYS H H 73 7.287 7.287 7.672 -0.385 19217 6788 1 18 . 1 1 74 74 VAL N N 74 117.637 117.637 116.179 1.458 19217 6789 1 18 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.719 -0.087 19217 6790 1 18 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.482 -0.543 19217 6791 1 18 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.459 0.973 19217 6792 1 18 . 1 1 74 74 VAL H H 74 8.398 8.398 8.559 -0.161 19217 6793 1 18 . 1 1 75 75 SER N N 75 117.090 117.090 116.095 0.995 19217 6794 1 18 . 1 1 75 75 SER HA H 75 4.144 4.144 4.163 -0.019 19217 6795 1 18 . 1 1 75 75 SER CA C 75 61.816 61.816 61.623 0.193 19217 6796 1 18 . 1 1 75 75 SER CB C 75 62.840 62.840 63.096 -0.256 19217 6797 1 18 . 1 1 75 75 SER H H 75 8.249 8.249 7.612 0.637 19217 6798 1 18 . 1 1 76 76 ASP N N 76 121.102 121.102 122.752 -1.650 19217 6799 1 18 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.394 0.082 19217 6800 1 18 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.679 -1.262 19217 6801 1 18 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.856 -0.420 19217 6802 1 18 . 1 1 76 76 ASP H H 76 8.240 8.240 7.751 0.489 19217 6803 1 18 . 1 1 77 77 LEU N N 77 119.967 119.967 118.543 1.424 19217 6804 1 18 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.101 0.110 19217 6805 1 18 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.878 -1.218 19217 6806 1 18 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.477 0.739 19217 6807 1 18 . 1 1 77 77 LEU H H 77 7.728 7.728 7.891 -0.163 19217 6808 1 18 . 1 1 78 78 SER N N 78 113.729 113.729 115.643 -1.914 19217 6809 1 18 . 1 1 78 78 SER HA H 78 4.379 4.379 4.201 0.178 19217 6810 1 18 . 1 1 78 78 SER CA C 78 59.286 59.286 60.716 -1.430 19217 6811 1 18 . 1 1 78 78 SER CB C 78 63.761 63.761 63.130 0.631 19217 6812 1 18 . 1 1 78 78 SER H H 78 7.873 7.873 7.732 0.141 19217 6813 1 18 . 1 1 79 79 LYS N N 79 121.616 121.616 120.549 1.067 19217 6814 1 18 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.186 0.102 19217 6815 1 18 . 1 1 79 79 LYS CA C 79 56.416 56.416 54.986 1.430 19217 6816 1 18 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.325 0.517 19217 6817 1 18 . 1 1 79 79 LYS H H 79 7.741 7.741 7.312 0.429 19217 6818 1 18 . 1 1 80 80 ALA N N 80 124.562 124.562 122.354 2.208 19217 6819 1 18 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.133 0.141 19217 6820 1 18 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.125 0.488 19217 6821 1 18 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.514 -0.243 19217 6822 1 18 . 1 1 80 80 ALA H H 80 8.044 8.044 7.294 0.750 19217 6823 1 19 . 1 1 2 2 SER N N 2 115.654 115.654 116.683 -1.029 19217 6824 1 19 . 1 1 2 2 SER HA H 2 4.496 4.496 4.631 -0.135 19217 6825 1 19 . 1 1 2 2 SER CA C 2 58.438 58.438 57.679 0.758 19217 6826 1 19 . 1 1 2 2 SER CB C 2 63.859 63.859 64.096 -0.237 19217 6827 1 19 . 1 1 2 2 SER H H 2 8.716 8.716 8.323 0.393 19217 6828 1 19 . 1 1 3 3 ASN N N 3 120.885 120.885 118.443 2.442 19217 6829 1 19 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.485 0.243 19217 6830 1 19 . 1 1 3 3 ASN CA C 3 53.319 53.319 54.001 -0.682 19217 6831 1 19 . 1 1 3 3 ASN CB C 3 38.647 38.647 37.270 1.377 19217 6832 1 19 . 1 1 3 3 ASN H H 3 8.703 8.703 8.647 0.056 19217 6833 1 19 . 1 1 4 4 GLU N N 4 120.920 120.920 120.556 0.364 19217 6834 1 19 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.452 -0.180 19217 6835 1 19 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.278 0.156 19217 6836 1 19 . 1 1 4 4 GLU CB C 4 30.469 30.469 29.408 1.061 19217 6837 1 19 . 1 1 4 4 GLU H H 4 8.261 8.261 8.513 -0.252 19217 6838 1 19 . 1 1 5 5 LYS N N 5 124.113 124.113 123.353 0.760 19217 6839 1 19 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.626 -0.078 19217 6840 1 19 . 1 1 5 5 LYS CA C 5 54.630 54.630 54.598 0.032 19217 6841 1 19 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.645 -0.550 19217 6842 1 19 . 1 1 5 5 LYS H H 5 8.452 8.452 8.325 0.127 19217 6843 1 19 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.517 -0.135 19217 6844 1 19 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.584 0.782 19217 6845 1 19 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.583 -0.450 19217 6846 1 19 . 1 1 7 7 LYS N N 7 121.721 121.721 120.254 1.467 19217 6847 1 19 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.524 -0.242 19217 6848 1 19 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.478 1.101 19217 6849 1 19 . 1 1 7 7 LYS CB C 7 32.989 32.989 33.990 -1.001 19217 6850 1 19 . 1 1 7 7 LYS H H 7 8.449 8.449 8.204 0.245 19217 6851 1 19 . 1 1 8 8 VAL N N 8 121.294 121.294 122.881 -1.587 19217 6852 1 19 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.281 -0.251 19217 6853 1 19 . 1 1 8 8 VAL CA C 8 62.751 62.751 61.485 1.266 19217 6854 1 19 . 1 1 8 8 VAL CB C 8 32.778 32.778 34.633 -1.855 19217 6855 1 19 . 1 1 8 8 VAL H H 8 8.062 8.062 8.298 -0.236 19217 6856 1 19 . 1 1 9 9 LYS N N 9 125.108 125.108 124.671 0.437 19217 6857 1 19 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.219 -0.018 19217 6858 1 19 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.412 -1.137 19217 6859 1 19 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.422 0.460 19217 6860 1 19 . 1 1 9 9 LYS H H 9 8.429 8.429 8.857 -0.428 19217 6861 1 19 . 1 1 10 10 LYS N N 10 122.428 122.428 119.141 3.287 19217 6862 1 19 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.381 -0.181 19217 6863 1 19 . 1 1 10 10 LYS CA C 10 57.424 57.424 56.170 1.254 19217 6864 1 19 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.800 1.108 19217 6865 1 19 . 1 1 10 10 LYS H H 10 8.322 8.322 8.454 -0.132 19217 6866 1 19 . 1 1 11 11 HIS N N 11 119.909 119.909 120.510 -0.601 19217 6867 1 19 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.353 0.258 19217 6868 1 19 . 1 1 11 11 HIS CA C 11 56.994 56.994 59.072 -2.078 19217 6869 1 19 . 1 1 11 11 HIS CB C 11 29.609 29.609 30.376 -0.767 19217 6870 1 19 . 1 1 11 11 HIS H H 11 8.402 8.402 7.577 0.825 19217 6871 1 19 . 1 1 12 12 ILE N N 12 121.819 121.819 118.830 2.989 19217 6872 1 19 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.682 0.177 19217 6873 1 19 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.396 -2.031 19217 6874 1 19 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.763 0.592 19217 6875 1 19 . 1 1 12 12 ILE H H 12 8.152 8.152 7.653 0.499 19217 6876 1 19 . 1 1 13 13 THR N N 13 116.420 116.420 114.124 2.296 19217 6877 1 19 . 1 1 13 13 THR HA H 13 3.933 3.933 3.869 0.064 19217 6878 1 19 . 1 1 13 13 THR CA C 13 64.847 64.847 66.364 -1.517 19217 6879 1 19 . 1 1 13 13 THR CB C 13 68.899 68.899 68.349 0.550 19217 6880 1 19 . 1 1 13 13 THR H H 13 8.095 8.095 8.394 -0.299 19217 6881 1 19 . 1 1 14 14 SER N N 14 116.367 116.367 116.879 -0.512 19217 6882 1 19 . 1 1 14 14 SER HA H 14 4.230 4.230 4.159 0.071 19217 6883 1 19 . 1 1 14 14 SER CA C 14 60.111 60.111 61.157 -1.046 19217 6884 1 19 . 1 1 14 14 SER CB C 14 63.317 63.317 63.120 0.197 19217 6885 1 19 . 1 1 14 14 SER H H 14 8.111 8.111 7.566 0.545 19217 6886 1 19 . 1 1 15 15 ALA N N 15 124.756 124.756 124.793 -0.037 19217 6887 1 19 . 1 1 15 15 ALA HA H 15 4.130 4.130 3.948 0.182 19217 6888 1 19 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.964 -0.126 19217 6889 1 19 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.112 0.653 19217 6890 1 19 . 1 1 15 15 ALA H H 15 8.248 8.248 8.096 0.152 19217 6891 1 19 . 1 1 16 16 LEU N N 16 116.067 116.067 119.497 -3.430 19217 6892 1 19 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.102 -0.063 19217 6893 1 19 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.492 -0.617 19217 6894 1 19 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.746 -0.354 19217 6895 1 19 . 1 1 16 16 LEU H H 16 8.188 8.188 8.622 -0.434 19217 6896 1 19 . 1 1 17 17 LYS N N 17 119.021 119.021 116.628 2.393 19217 6897 1 19 . 1 1 17 17 LYS HA H 17 3.829 3.829 4.002 -0.173 19217 6898 1 19 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.119 -0.193 19217 6899 1 19 . 1 1 17 17 LYS CB C 17 31.963 31.963 31.963 0.000 19217 6900 1 19 . 1 1 17 17 LYS H H 17 7.870 7.870 7.684 0.186 19217 6901 1 19 . 1 1 18 18 LYS N N 18 117.677 117.677 119.000 -1.323 19217 6902 1 19 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.130 -0.019 19217 6903 1 19 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.110 0.594 19217 6904 1 19 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.548 -0.328 19217 6905 1 19 . 1 1 18 18 LYS H H 18 7.598 7.598 7.503 0.095 19217 6906 1 19 . 1 1 19 19 LEU N N 19 117.430 117.430 121.418 -3.988 19217 6907 1 19 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.850 0.225 19217 6908 1 19 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.764 -0.243 19217 6909 1 19 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.640 0.315 19217 6910 1 19 . 1 1 19 19 LEU H H 19 7.594 7.594 8.275 -0.681 19217 6911 1 19 . 1 1 20 20 VAL N N 20 118.252 118.252 116.291 1.961 19217 6912 1 19 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.221 0.142 19217 6913 1 19 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.764 1.281 19217 6914 1 19 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.192 -0.036 19217 6915 1 19 . 1 1 20 20 VAL H H 20 7.662 7.662 7.419 0.243 19217 6916 1 19 . 1 1 21 21 ASP N N 21 119.557 119.557 116.259 3.298 19217 6917 1 19 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.464 0.006 19217 6918 1 19 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.409 0.237 19217 6919 1 19 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.114 -0.199 19217 6920 1 19 . 1 1 21 21 ASP H H 21 7.645 7.645 7.374 0.271 19217 6921 1 19 . 1 1 22 22 LYS N N 22 117.493 117.493 119.300 -1.807 19217 6922 1 19 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.291 0.264 19217 6923 1 19 . 1 1 22 22 LYS CA C 22 56.271 56.271 56.743 -0.472 19217 6924 1 19 . 1 1 22 22 LYS CB C 22 33.805 33.805 32.355 1.450 19217 6925 1 19 . 1 1 22 22 LYS H H 22 7.782 7.782 7.692 0.090 19217 6926 1 19 . 1 1 23 23 TYR N N 23 121.877 121.877 121.464 0.413 19217 6927 1 19 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.096 -0.397 19217 6928 1 19 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.035 1.341 19217 6929 1 19 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.867 1.465 19217 6930 1 19 . 1 1 23 23 TYR H H 23 7.738 7.738 7.410 0.328 19217 6931 1 19 . 1 1 24 24 ARG N N 24 111.739 111.739 116.539 -4.800 19217 6932 1 19 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.323 -0.181 19217 6933 1 19 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.767 1.107 19217 6934 1 19 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.796 0.003 19217 6935 1 19 . 1 1 24 24 ARG H H 24 8.577 8.577 8.476 0.101 19217 6936 1 19 . 1 1 25 25 ASN N N 25 113.359 113.359 117.276 -3.917 19217 6937 1 19 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.789 0.231 19217 6938 1 19 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.218 -0.903 19217 6939 1 19 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.740 0.134 19217 6940 1 19 . 1 1 25 25 ASN H H 25 7.711 7.711 7.677 0.034 19217 6941 1 19 . 1 1 26 26 ASP N N 26 120.181 120.181 120.478 -0.297 19217 6942 1 19 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.875 0.056 19217 6943 1 19 . 1 1 26 26 ASP CA C 26 53.596 53.596 52.924 0.672 19217 6944 1 19 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.127 0.508 19217 6945 1 19 . 1 1 26 26 ASP H H 26 7.424 7.424 8.202 -0.778 19217 6946 1 19 . 1 1 27 27 GLU N N 27 126.678 126.678 125.513 1.165 19217 6947 1 19 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.967 -0.165 19217 6948 1 19 . 1 1 27 27 GLU CA C 27 59.190 59.190 58.529 0.661 19217 6949 1 19 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.274 0.485 19217 6950 1 19 . 1 1 27 27 GLU H H 27 9.073 9.073 8.868 0.205 19217 6951 1 19 . 1 1 28 28 HIS N N 28 118.927 118.927 120.275 -1.348 19217 6952 1 19 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.325 0.086 19217 6953 1 19 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.181 0.596 19217 6954 1 19 . 1 1 28 28 HIS CB C 28 27.817 27.817 30.076 -2.259 19217 6955 1 19 . 1 1 28 28 HIS H H 28 8.585 8.585 7.519 1.066 19217 6956 1 19 . 1 1 29 29 VAL N N 29 120.860 120.860 118.900 1.960 19217 6957 1 19 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.806 -0.366 19217 6958 1 19 . 1 1 29 29 VAL CA C 29 66.677 66.677 64.728 1.949 19217 6959 1 19 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.316 0.188 19217 6960 1 19 . 1 1 29 29 VAL H H 29 7.811 7.811 7.994 -0.183 19217 6961 1 19 . 1 1 30 30 ARG N N 30 119.042 119.042 118.375 0.667 19217 6962 1 19 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.745 0.131 19217 6963 1 19 . 1 1 30 30 ARG CA C 30 60.274 60.274 60.035 0.239 19217 6964 1 19 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.332 0.723 19217 6965 1 19 . 1 1 30 30 ARG H H 30 7.919 7.919 7.619 0.300 19217 6966 1 19 . 1 1 31 31 LYS N N 31 116.630 116.630 118.118 -1.488 19217 6967 1 19 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.143 -0.017 19217 6968 1 19 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.283 0.302 19217 6969 1 19 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.720 0.743 19217 6970 1 19 . 1 1 31 31 LYS H H 31 7.583 7.583 7.731 -0.148 19217 6971 1 19 . 1 1 32 32 VAL N N 32 118.507 118.507 120.755 -2.248 19217 6972 1 19 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.916 -0.131 19217 6973 1 19 . 1 1 32 32 VAL CA C 32 66.099 66.099 65.051 1.048 19217 6974 1 19 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.522 0.748 19217 6975 1 19 . 1 1 32 32 VAL H H 32 7.576 7.576 7.496 0.080 19217 6976 1 19 . 1 1 33 33 PHE N N 33 120.874 120.874 119.895 0.979 19217 6977 1 19 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.201 0.075 19217 6978 1 19 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.701 -0.186 19217 6979 1 19 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.093 0.260 19217 6980 1 19 . 1 1 33 33 PHE H H 33 9.246 9.246 9.204 0.042 19217 6981 1 19 . 1 1 34 34 ASP N N 34 119.331 119.331 120.744 -1.413 19217 6982 1 19 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.451 0.077 19217 6983 1 19 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.975 0.633 19217 6984 1 19 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.859 -0.938 19217 6985 1 19 . 1 1 34 34 ASP H H 34 9.507 9.507 8.405 1.102 19217 6986 1 19 . 1 1 35 35 GLU N N 35 118.378 118.378 119.941 -1.563 19217 6987 1 19 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.093 0.108 19217 6988 1 19 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.185 0.537 19217 6989 1 19 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.839 -0.280 19217 6990 1 19 . 1 1 35 35 GLU H H 35 7.334 7.334 7.569 -0.235 19217 6991 1 19 . 1 1 36 36 ILE N N 36 119.241 119.241 120.615 -1.374 19217 6992 1 19 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.570 -0.127 19217 6993 1 19 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.425 1.336 19217 6994 1 19 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.670 0.782 19217 6995 1 19 . 1 1 36 36 ILE H H 36 8.054 8.054 7.909 0.145 19217 6996 1 19 . 1 1 37 37 GLN N N 37 117.541 117.541 118.774 -1.233 19217 6997 1 19 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.873 0.532 19217 6998 1 19 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.018 0.998 19217 6999 1 19 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.678 -0.295 19217 7000 1 19 . 1 1 37 37 GLN H H 37 8.517 8.517 8.287 0.230 19217 7001 1 19 . 1 1 38 38 GLN N N 38 113.900 113.900 118.159 -4.259 19217 7002 1 19 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.140 0.104 19217 7003 1 19 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.307 0.215 19217 7004 1 19 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.762 1.433 19217 7005 1 19 . 1 1 38 38 GLN H H 38 8.023 8.023 7.753 0.270 19217 7006 1 19 . 1 1 39 39 LYS N N 39 117.850 117.850 119.880 -2.030 19217 7007 1 19 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.907 0.249 19217 7008 1 19 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.050 -0.167 19217 7009 1 19 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.087 0.832 19217 7010 1 19 . 1 1 39 39 LYS H H 39 8.480 8.480 8.232 0.248 19217 7011 1 19 . 1 1 40 40 LEU N N 40 114.726 114.726 115.831 -1.105 19217 7012 1 19 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.362 -0.179 19217 7013 1 19 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.406 -0.176 19217 7014 1 19 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.498 -0.709 19217 7015 1 19 . 1 1 40 40 LEU H H 40 8.427 8.427 7.846 0.581 19217 7016 1 19 . 1 1 41 41 HIS N N 41 115.299 115.299 114.300 0.999 19217 7017 1 19 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.243 -0.798 19217 7018 1 19 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.506 -2.783 19217 7019 1 19 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.619 -0.401 19217 7020 1 19 . 1 1 41 41 HIS H H 41 7.466 7.466 7.344 0.122 19217 7021 1 19 . 1 1 42 42 CYS N N 42 116.999 116.999 111.350 5.649 19217 7022 1 19 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.869 0.195 19217 7023 1 19 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.050 -2.217 19217 7024 1 19 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.555 16.223 19217 7025 1 19 . 1 1 42 42 CYS H H 42 8.205 8.205 7.720 0.485 19217 7026 1 19 . 1 1 43 43 CYS N N 43 117.175 117.175 121.420 -4.245 19217 7027 1 19 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.094 0.048 19217 7028 1 19 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.134 -3.693 19217 7029 1 19 . 1 1 43 43 CYS CB C 43 42.928 42.928 30.128 12.800 19217 7030 1 19 . 1 1 43 43 CYS H H 43 9.131 9.131 8.427 0.704 19217 7031 1 19 . 1 1 44 44 GLY N N 44 113.879 113.879 114.877 -0.998 19217 7032 1 19 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.858 -2.308 19217 7033 1 19 . 1 1 44 44 GLY H H 44 8.913 8.913 8.645 0.268 19217 7034 1 19 . 1 1 45 45 ALA N N 45 122.305 122.305 122.461 -0.156 19217 7035 1 19 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.255 0.269 19217 7036 1 19 . 1 1 45 45 ALA CA C 45 53.824 53.824 54.660 -0.836 19217 7037 1 19 . 1 1 45 45 ALA CB C 45 18.722 18.722 20.337 -1.615 19217 7038 1 19 . 1 1 45 45 ALA H H 45 9.057 9.057 8.180 0.877 19217 7039 1 19 . 1 1 46 46 ASP N N 46 119.678 119.678 114.229 5.449 19217 7040 1 19 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.886 -0.273 19217 7041 1 19 . 1 1 46 46 ASP CA C 46 57.097 57.097 53.683 3.414 19217 7042 1 19 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.561 -1.083 19217 7043 1 19 . 1 1 46 46 ASP H H 46 9.741 9.741 8.051 1.690 19217 7044 1 19 . 1 1 47 47 SER N N 47 112.389 112.389 111.923 0.466 19217 7045 1 19 . 1 1 47 47 SER HA H 47 4.654 4.654 4.752 -0.098 19217 7046 1 19 . 1 1 47 47 SER CA C 47 57.626 57.626 56.224 1.401 19217 7047 1 19 . 1 1 47 47 SER CB C 47 64.037 64.037 63.902 0.135 19217 7048 1 19 . 1 1 47 47 SER H H 47 7.798 7.798 7.325 0.473 19217 7049 1 19 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.579 -0.434 19217 7050 1 19 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.342 0.788 19217 7051 1 19 . 1 1 48 48 PRO CB C 48 32.347 32.347 31.937 0.410 19217 7052 1 19 . 1 1 49 49 LYS N N 49 115.074 115.074 118.492 -3.418 19217 7053 1 19 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.140 0.077 19217 7054 1 19 . 1 1 49 49 LYS CA C 49 57.299 57.299 57.694 -0.395 19217 7055 1 19 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.504 -0.591 19217 7056 1 19 . 1 1 49 49 LYS H H 49 8.151 8.151 8.287 -0.136 19217 7057 1 19 . 1 1 50 50 ASP N N 50 122.818 122.818 119.326 3.492 19217 7058 1 19 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.289 0.023 19217 7059 1 19 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.920 0.329 19217 7060 1 19 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.269 1.212 19217 7061 1 19 . 1 1 50 50 ASP H H 50 8.149 8.149 7.762 0.387 19217 7062 1 19 . 1 1 51 51 TYR N N 51 114.312 114.312 117.059 -2.747 19217 7063 1 19 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.349 0.027 19217 7064 1 19 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.571 -0.735 19217 7065 1 19 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.299 -0.395 19217 7066 1 19 . 1 1 51 51 TYR H H 51 7.260 7.260 7.356 -0.096 19217 7067 1 19 . 1 1 52 52 GLY N N 52 109.793 109.793 106.828 2.965 19217 7068 1 19 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.502 0.337 19217 7069 1 19 . 1 1 52 52 GLY H H 52 7.967 7.967 7.627 0.340 19217 7070 1 19 . 1 1 53 53 GLU N N 53 123.571 123.571 123.042 0.529 19217 7071 1 19 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.555 -0.353 19217 7072 1 19 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.158 0.947 19217 7073 1 19 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.932 0.088 19217 7074 1 19 . 1 1 53 53 GLU H H 53 8.788 8.788 8.588 0.200 19217 7075 1 19 . 1 1 54 54 ASN N N 54 115.160 115.160 118.939 -3.779 19217 7076 1 19 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.957 0.265 19217 7077 1 19 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.231 -1.267 19217 7078 1 19 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.482 0.918 19217 7079 1 19 . 1 1 54 54 ASN H H 54 7.853 7.853 8.414 -0.561 19217 7080 1 19 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.287 -0.242 19217 7081 1 19 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.503 -0.215 19217 7082 1 19 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.306 -0.635 19217 7083 1 19 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.327 0.206 19217 7084 1 19 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.155 -0.461 19217 7085 1 19 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.240 1.217 19217 7086 1 19 . 1 1 57 57 THR N N 57 116.449 116.449 114.851 1.598 19217 7087 1 19 . 1 1 57 57 THR HA H 57 3.832 3.832 3.952 -0.120 19217 7088 1 19 . 1 1 57 57 THR CA C 57 65.318 65.318 65.183 0.135 19217 7089 1 19 . 1 1 57 57 THR CB C 57 68.433 68.433 68.845 -0.412 19217 7090 1 19 . 1 1 57 57 THR H H 57 8.894 8.894 8.815 0.079 19217 7091 1 19 . 1 1 58 58 SER N N 58 113.767 113.767 116.121 -2.354 19217 7092 1 19 . 1 1 58 58 SER HA H 58 4.409 4.409 4.432 -0.023 19217 7093 1 19 . 1 1 58 58 SER CA C 58 59.123 59.123 60.848 -1.725 19217 7094 1 19 . 1 1 58 58 SER CB C 58 62.669 62.669 62.436 0.233 19217 7095 1 19 . 1 1 58 58 SER H H 58 7.839 7.839 8.365 -0.526 19217 7096 1 19 . 1 1 59 59 CYS N N 59 117.062 117.062 121.872 -4.810 19217 7097 1 19 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.565 0.217 19217 7098 1 19 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.326 1.586 19217 7099 1 19 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.285 19.532 19217 7100 1 19 . 1 1 59 59 CYS H H 59 7.397 7.397 7.688 -0.291 19217 7101 1 19 . 1 1 60 60 SER N N 60 112.368 112.368 112.475 -0.107 19217 7102 1 19 . 1 1 60 60 SER HA H 60 4.258 4.258 4.588 -0.330 19217 7103 1 19 . 1 1 60 60 SER CA C 60 56.925 56.925 56.306 0.619 19217 7104 1 19 . 1 1 60 60 SER CB C 60 67.049 67.049 66.294 0.755 19217 7105 1 19 . 1 1 60 60 SER H H 60 7.486 7.486 7.295 0.191 19217 7106 1 19 . 1 1 61 61 LYS N N 61 120.402 120.402 122.033 -1.631 19217 7107 1 19 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.561 -0.170 19217 7108 1 19 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.244 -0.927 19217 7109 1 19 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.951 0.993 19217 7110 1 19 . 1 1 61 61 LYS H H 61 7.918 7.918 8.288 -0.370 19217 7111 1 19 . 1 1 62 62 ASP N N 62 128.253 128.253 124.519 3.734 19217 7112 1 19 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.353 -0.073 19217 7113 1 19 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.096 0.603 19217 7114 1 19 . 1 1 62 62 ASP CB C 62 39.522 39.522 39.977 -0.456 19217 7115 1 19 . 1 1 62 62 ASP H H 62 9.517 9.517 8.905 0.612 19217 7116 1 19 . 1 1 63 63 GLY N N 63 103.421 103.421 104.372 -0.951 19217 7117 1 19 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.348 -0.146 19217 7118 1 19 . 1 1 63 63 GLY H H 63 8.597 8.597 8.436 0.161 19217 7119 1 19 . 1 1 64 64 VAL N N 64 122.304 122.304 119.057 3.247 19217 7120 1 19 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.275 -0.216 19217 7121 1 19 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.460 1.182 19217 7122 1 19 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.470 -2.187 19217 7123 1 19 . 1 1 64 64 VAL H H 64 7.630 7.630 7.144 0.486 19217 7124 1 19 . 1 1 65 65 GLN N N 65 126.376 126.376 124.090 2.286 19217 7125 1 19 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.259 -0.136 19217 7126 1 19 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.338 0.646 19217 7127 1 19 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.787 -0.650 19217 7128 1 19 . 1 1 65 65 GLN H H 65 8.366 8.366 8.375 -0.009 19217 7129 1 19 . 1 1 66 66 PHE N N 66 126.770 126.770 126.245 0.525 19217 7130 1 19 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.543 0.382 19217 7131 1 19 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.160 -1.718 19217 7132 1 19 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.134 -0.542 19217 7133 1 19 . 1 1 66 66 PHE H H 66 8.606 8.606 8.336 0.270 19217 7134 1 19 . 1 1 67 67 THR N N 67 110.796 110.796 113.746 -2.950 19217 7135 1 19 . 1 1 67 67 THR HA H 67 4.378 4.378 4.466 -0.088 19217 7136 1 19 . 1 1 67 67 THR CA C 67 62.290 62.290 61.722 0.568 19217 7137 1 19 . 1 1 67 67 THR CB C 67 69.730 69.730 69.037 0.693 19217 7138 1 19 . 1 1 67 67 THR H H 67 8.105 8.105 8.643 -0.538 19217 7139 1 19 . 1 1 68 68 GLU N N 68 122.415 122.415 121.804 0.611 19217 7140 1 19 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.669 -0.033 19217 7141 1 19 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.761 0.507 19217 7142 1 19 . 1 1 68 68 GLU CB C 68 32.089 32.089 33.076 -0.987 19217 7143 1 19 . 1 1 68 68 GLU H H 68 8.171 8.171 7.988 0.183 19217 7144 1 19 . 1 1 69 69 GLY N N 69 109.155 109.155 107.679 1.476 19217 7145 1 19 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.185 0.176 19217 7146 1 19 . 1 1 69 69 GLY H H 69 8.870 8.870 8.540 0.330 19217 7147 1 19 . 1 1 70 70 CYS N N 70 116.376 116.376 118.448 -2.072 19217 7148 1 19 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.649 -0.204 19217 7149 1 19 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.715 -3.266 19217 7150 1 19 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.286 13.505 19217 7151 1 19 . 1 1 70 70 CYS H H 70 8.335 8.335 8.165 0.170 19217 7152 1 19 . 1 1 71 71 ILE N N 71 121.812 121.812 121.280 0.532 19217 7153 1 19 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.600 -0.081 19217 7154 1 19 . 1 1 71 71 ILE CA C 71 66.807 66.807 65.809 0.998 19217 7155 1 19 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.445 -0.619 19217 7156 1 19 . 1 1 71 71 ILE H H 71 9.129 9.129 8.267 0.862 19217 7157 1 19 . 1 1 72 72 LYS N N 72 121.424 121.424 118.700 2.724 19217 7158 1 19 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.137 -0.122 19217 7159 1 19 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.101 0.102 19217 7160 1 19 . 1 1 72 72 LYS CB C 72 32.083 32.083 31.925 0.158 19217 7161 1 19 . 1 1 72 72 LYS H H 72 8.179 8.179 8.418 -0.239 19217 7162 1 19 . 1 1 73 73 LYS N N 73 115.131 115.131 119.416 -4.285 19217 7163 1 19 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.131 0.052 19217 7164 1 19 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.769 -1.027 19217 7165 1 19 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.147 0.035 19217 7166 1 19 . 1 1 73 73 LYS H H 73 7.287 7.287 7.900 -0.613 19217 7167 1 19 . 1 1 74 74 VAL N N 74 117.637 117.637 116.330 1.307 19217 7168 1 19 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.780 -0.148 19217 7169 1 19 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.409 -0.470 19217 7170 1 19 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.710 0.722 19217 7171 1 19 . 1 1 74 74 VAL H H 74 8.398 8.398 8.363 0.035 19217 7172 1 19 . 1 1 75 75 SER N N 75 117.090 117.090 116.870 0.220 19217 7173 1 19 . 1 1 75 75 SER HA H 75 4.144 4.144 4.090 0.054 19217 7174 1 19 . 1 1 75 75 SER CA C 75 61.816 61.816 62.146 -0.330 19217 7175 1 19 . 1 1 75 75 SER CB C 75 62.840 62.840 62.939 -0.099 19217 7176 1 19 . 1 1 75 75 SER H H 75 8.249 8.249 7.575 0.674 19217 7177 1 19 . 1 1 76 76 ASP N N 76 121.102 121.102 122.723 -1.621 19217 7178 1 19 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.376 0.100 19217 7179 1 19 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.353 -0.936 19217 7180 1 19 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.807 -0.371 19217 7181 1 19 . 1 1 76 76 ASP H H 76 8.240 8.240 7.670 0.570 19217 7182 1 19 . 1 1 77 77 LEU N N 77 119.967 119.967 116.655 3.312 19217 7183 1 19 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.295 -0.084 19217 7184 1 19 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.115 -0.455 19217 7185 1 19 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.724 0.492 19217 7186 1 19 . 1 1 77 77 LEU H H 77 7.728 7.728 7.466 0.262 19217 7187 1 19 . 1 1 78 78 SER N N 78 113.729 113.729 114.307 -0.578 19217 7188 1 19 . 1 1 78 78 SER HA H 78 4.379 4.379 4.209 0.170 19217 7189 1 19 . 1 1 78 78 SER CA C 78 59.286 59.286 61.034 -1.748 19217 7190 1 19 . 1 1 78 78 SER CB C 78 63.761 63.761 63.331 0.430 19217 7191 1 19 . 1 1 78 78 SER H H 78 7.873 7.873 7.842 0.031 19217 7192 1 19 . 1 1 79 79 LYS N N 79 121.616 121.616 119.783 1.833 19217 7193 1 19 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.197 0.091 19217 7194 1 19 . 1 1 79 79 LYS CA C 79 56.416 56.416 57.157 -0.741 19217 7195 1 19 . 1 1 79 79 LYS CB C 79 32.842 32.842 33.154 -0.312 19217 7196 1 19 . 1 1 79 79 LYS H H 79 7.741 7.741 7.857 -0.116 19217 7197 1 19 . 1 1 80 80 ALA N N 80 124.562 124.562 122.061 2.501 19217 7198 1 19 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.200 0.074 19217 7199 1 19 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.645 -0.032 19217 7200 1 19 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.461 -0.191 19217 7201 1 19 . 1 1 80 80 ALA H H 80 8.044 8.044 7.431 0.613 19217 7202 1 20 . 1 1 2 2 SER N N 2 115.654 115.654 117.717 -2.063 19217 7203 1 20 . 1 1 2 2 SER HA H 2 4.496 4.496 4.644 -0.148 19217 7204 1 20 . 1 1 2 2 SER CA C 2 58.438 58.438 57.707 0.731 19217 7205 1 20 . 1 1 2 2 SER CB C 2 63.859 63.859 66.073 -2.214 19217 7206 1 20 . 1 1 2 2 SER H H 2 8.716 8.716 8.115 0.601 19217 7207 1 20 . 1 1 3 3 ASN N N 3 120.885 120.885 121.670 -0.785 19217 7208 1 20 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.546 0.182 19217 7209 1 20 . 1 1 3 3 ASN CA C 3 53.319 53.319 54.128 -0.809 19217 7210 1 20 . 1 1 3 3 ASN CB C 3 38.647 38.647 39.282 -0.635 19217 7211 1 20 . 1 1 3 3 ASN H H 3 8.703 8.703 8.836 -0.133 19217 7212 1 20 . 1 1 4 4 GLU N N 4 120.920 120.920 121.114 -0.194 19217 7213 1 20 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.357 -0.085 19217 7214 1 20 . 1 1 4 4 GLU CA C 4 56.434 56.434 55.961 0.473 19217 7215 1 20 . 1 1 4 4 GLU CB C 4 30.469 30.469 30.082 0.387 19217 7216 1 20 . 1 1 4 4 GLU H H 4 8.261 8.261 8.214 0.047 19217 7217 1 20 . 1 1 5 5 LYS N N 5 124.113 124.113 128.392 -4.279 19217 7218 1 20 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.816 -0.268 19217 7219 1 20 . 1 1 5 5 LYS CA C 5 54.630 54.630 53.265 1.365 19217 7220 1 20 . 1 1 5 5 LYS CB C 5 32.094 32.094 31.246 0.848 19217 7221 1 20 . 1 1 5 5 LYS H H 5 8.452 8.452 8.519 -0.067 19217 7222 1 20 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.525 -0.143 19217 7223 1 20 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.599 0.767 19217 7224 1 20 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.409 -0.276 19217 7225 1 20 . 1 1 7 7 LYS N N 7 121.721 121.721 120.545 1.176 19217 7226 1 20 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.461 -0.179 19217 7227 1 20 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.663 0.917 19217 7228 1 20 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.654 0.335 19217 7229 1 20 . 1 1 7 7 LYS H H 7 8.449 8.449 8.313 0.136 19217 7230 1 20 . 1 1 8 8 VAL N N 8 121.294 121.294 123.034 -1.740 19217 7231 1 20 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.226 -0.196 19217 7232 1 20 . 1 1 8 8 VAL CA C 8 62.751 62.751 60.424 2.327 19217 7233 1 20 . 1 1 8 8 VAL CB C 8 32.778 32.778 34.021 -1.243 19217 7234 1 20 . 1 1 8 8 VAL H H 8 8.062 8.062 8.333 -0.271 19217 7235 1 20 . 1 1 9 9 LYS N N 9 125.108 125.108 123.544 1.564 19217 7236 1 20 . 1 1 9 9 LYS HA H 9 4.201 4.201 3.980 0.221 19217 7237 1 20 . 1 1 9 9 LYS CA C 9 57.275 57.275 59.005 -1.730 19217 7238 1 20 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.342 0.540 19217 7239 1 20 . 1 1 9 9 LYS H H 9 8.429 8.429 8.776 -0.347 19217 7240 1 20 . 1 1 10 10 LYS N N 10 122.428 122.428 115.930 6.498 19217 7241 1 20 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.419 -0.219 19217 7242 1 20 . 1 1 10 10 LYS CA C 10 57.424 57.424 57.070 0.354 19217 7243 1 20 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.103 1.805 19217 7244 1 20 . 1 1 10 10 LYS H H 10 8.322 8.322 8.280 0.042 19217 7245 1 20 . 1 1 11 11 HIS N N 11 119.909 119.909 116.357 3.552 19217 7246 1 20 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.516 0.095 19217 7247 1 20 . 1 1 11 11 HIS CA C 11 56.994 56.994 57.230 -0.236 19217 7248 1 20 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.718 -0.109 19217 7249 1 20 . 1 1 11 11 HIS H H 11 8.402 8.402 8.511 -0.109 19217 7250 1 20 . 1 1 12 12 ILE N N 12 121.819 121.819 120.835 0.984 19217 7251 1 20 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.394 0.465 19217 7252 1 20 . 1 1 12 12 ILE CA C 12 63.365 63.365 64.061 -0.696 19217 7253 1 20 . 1 1 12 12 ILE CB C 12 38.355 38.355 36.472 1.883 19217 7254 1 20 . 1 1 12 12 ILE H H 12 8.152 8.152 7.866 0.286 19217 7255 1 20 . 1 1 13 13 THR N N 13 116.420 116.420 113.997 2.423 19217 7256 1 20 . 1 1 13 13 THR HA H 13 3.933 3.933 3.969 -0.036 19217 7257 1 20 . 1 1 13 13 THR CA C 13 64.847 64.847 66.498 -1.651 19217 7258 1 20 . 1 1 13 13 THR CB C 13 68.899 68.899 68.481 0.418 19217 7259 1 20 . 1 1 13 13 THR H H 13 8.095 8.095 8.212 -0.117 19217 7260 1 20 . 1 1 14 14 SER N N 14 116.367 116.367 117.663 -1.296 19217 7261 1 20 . 1 1 14 14 SER HA H 14 4.230 4.230 4.212 0.018 19217 7262 1 20 . 1 1 14 14 SER CA C 14 60.111 60.111 61.600 -1.489 19217 7263 1 20 . 1 1 14 14 SER CB C 14 63.317 63.317 62.785 0.532 19217 7264 1 20 . 1 1 14 14 SER H H 14 8.111 8.111 7.560 0.551 19217 7265 1 20 . 1 1 15 15 ALA N N 15 124.756 124.756 124.825 -0.069 19217 7266 1 20 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.167 -0.037 19217 7267 1 20 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.849 -0.011 19217 7268 1 20 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.389 0.376 19217 7269 1 20 . 1 1 15 15 ALA H H 15 8.248 8.248 8.371 -0.123 19217 7270 1 20 . 1 1 16 16 LEU N N 16 116.067 116.067 119.747 -3.680 19217 7271 1 20 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.100 -0.061 19217 7272 1 20 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.507 -0.632 19217 7273 1 20 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.625 -0.233 19217 7274 1 20 . 1 1 16 16 LEU H H 16 8.188 8.188 8.616 -0.428 19217 7275 1 20 . 1 1 17 17 LYS N N 17 119.021 119.021 117.459 1.562 19217 7276 1 20 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.967 -0.138 19217 7277 1 20 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.327 -0.401 19217 7278 1 20 . 1 1 17 17 LYS CB C 17 31.963 31.963 31.926 0.037 19217 7279 1 20 . 1 1 17 17 LYS H H 17 7.870 7.870 7.898 -0.028 19217 7280 1 20 . 1 1 18 18 LYS N N 18 117.677 117.677 120.124 -2.447 19217 7281 1 20 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.135 -0.024 19217 7282 1 20 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.413 0.291 19217 7283 1 20 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.281 -0.061 19217 7284 1 20 . 1 1 18 18 LYS H H 18 7.598 7.598 7.524 0.074 19217 7285 1 20 . 1 1 19 19 LEU N N 19 117.430 117.430 121.189 -3.759 19217 7286 1 20 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.890 0.185 19217 7287 1 20 . 1 1 19 19 LEU CA C 19 57.521 57.521 58.103 -0.583 19217 7288 1 20 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.989 -0.034 19217 7289 1 20 . 1 1 19 19 LEU H H 19 7.594 7.594 8.173 -0.579 19217 7290 1 20 . 1 1 20 20 VAL N N 20 118.252 118.252 115.034 3.218 19217 7291 1 20 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.217 0.146 19217 7292 1 20 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.415 1.631 19217 7293 1 20 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.272 -0.116 19217 7294 1 20 . 1 1 20 20 VAL H H 20 7.662 7.662 7.670 -0.008 19217 7295 1 20 . 1 1 21 21 ASP N N 21 119.557 119.557 119.901 -0.344 19217 7296 1 20 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.435 0.035 19217 7297 1 20 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.809 -0.163 19217 7298 1 20 . 1 1 21 21 ASP CB C 21 40.915 40.915 40.940 -0.025 19217 7299 1 20 . 1 1 21 21 ASP H H 21 7.645 7.645 7.477 0.168 19217 7300 1 20 . 1 1 22 22 LYS N N 22 117.493 117.493 118.614 -1.121 19217 7301 1 20 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.471 0.084 19217 7302 1 20 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.332 0.939 19217 7303 1 20 . 1 1 22 22 LYS CB C 22 33.805 33.805 32.237 1.567 19217 7304 1 20 . 1 1 22 22 LYS H H 22 7.782 7.782 8.089 -0.307 19217 7305 1 20 . 1 1 23 23 TYR N N 23 121.877 121.877 120.689 1.188 19217 7306 1 20 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.041 -0.342 19217 7307 1 20 . 1 1 23 23 TYR CA C 23 63.376 63.376 61.782 1.594 19217 7308 1 20 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.841 1.491 19217 7309 1 20 . 1 1 23 23 TYR H H 23 7.738 7.738 7.191 0.547 19217 7310 1 20 . 1 1 24 24 ARG N N 24 111.739 111.739 116.664 -4.925 19217 7311 1 20 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.223 -0.081 19217 7312 1 20 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.594 1.280 19217 7313 1 20 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.839 -0.040 19217 7314 1 20 . 1 1 24 24 ARG H H 24 8.577 8.577 8.585 -0.008 19217 7315 1 20 . 1 1 25 25 ASN N N 25 113.359 113.359 117.043 -3.684 19217 7316 1 20 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.778 0.242 19217 7317 1 20 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.192 -0.877 19217 7318 1 20 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.594 0.280 19217 7319 1 20 . 1 1 25 25 ASN H H 25 7.711 7.711 7.748 -0.037 19217 7320 1 20 . 1 1 26 26 ASP N N 26 120.181 120.181 120.269 -0.088 19217 7321 1 20 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.914 0.017 19217 7322 1 20 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.228 0.368 19217 7323 1 20 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.341 0.294 19217 7324 1 20 . 1 1 26 26 ASP H H 26 7.424 7.424 7.957 -0.533 19217 7325 1 20 . 1 1 27 27 GLU N N 27 126.678 126.678 125.470 1.208 19217 7326 1 20 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.914 -0.112 19217 7327 1 20 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.752 -0.562 19217 7328 1 20 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.914 -0.155 19217 7329 1 20 . 1 1 27 27 GLU H H 27 9.073 9.073 8.894 0.179 19217 7330 1 20 . 1 1 28 28 HIS N N 28 118.927 118.927 118.554 0.373 19217 7331 1 20 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.293 0.118 19217 7332 1 20 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.208 0.569 19217 7333 1 20 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.648 -1.831 19217 7334 1 20 . 1 1 28 28 HIS H H 28 8.585 8.585 8.617 -0.032 19217 7335 1 20 . 1 1 29 29 VAL N N 29 120.860 120.860 117.358 3.502 19217 7336 1 20 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.880 -0.440 19217 7337 1 20 . 1 1 29 29 VAL CA C 29 66.677 66.677 66.197 0.480 19217 7338 1 20 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.120 0.384 19217 7339 1 20 . 1 1 29 29 VAL H H 29 7.811 7.811 8.221 -0.410 19217 7340 1 20 . 1 1 30 30 ARG N N 30 119.042 119.042 120.215 -1.173 19217 7341 1 20 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.893 -0.017 19217 7342 1 20 . 1 1 30 30 ARG CA C 30 60.274 60.274 60.138 0.136 19217 7343 1 20 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.617 0.438 19217 7344 1 20 . 1 1 30 30 ARG H H 30 7.919 7.919 7.940 -0.021 19217 7345 1 20 . 1 1 31 31 LYS N N 31 116.630 116.630 118.880 -2.250 19217 7346 1 20 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.085 0.041 19217 7347 1 20 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.459 0.126 19217 7348 1 20 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.771 0.692 19217 7349 1 20 . 1 1 31 31 LYS H H 31 7.583 7.583 7.648 -0.065 19217 7350 1 20 . 1 1 32 32 VAL N N 32 118.507 118.507 120.703 -2.196 19217 7351 1 20 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.855 -0.070 19217 7352 1 20 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.735 -0.636 19217 7353 1 20 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.761 0.510 19217 7354 1 20 . 1 1 32 32 VAL H H 32 7.576 7.576 7.348 0.228 19217 7355 1 20 . 1 1 33 33 PHE N N 33 120.874 120.874 119.988 0.886 19217 7356 1 20 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.152 0.124 19217 7357 1 20 . 1 1 33 33 PHE CA C 33 61.515 61.515 62.048 -0.533 19217 7358 1 20 . 1 1 33 33 PHE CB C 33 39.353 39.353 38.956 0.397 19217 7359 1 20 . 1 1 33 33 PHE H H 33 9.246 9.246 9.058 0.188 19217 7360 1 20 . 1 1 34 34 ASP N N 34 119.331 119.331 120.264 -0.933 19217 7361 1 20 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.403 0.125 19217 7362 1 20 . 1 1 34 34 ASP CA C 34 58.608 58.608 58.278 0.330 19217 7363 1 20 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.678 -0.757 19217 7364 1 20 . 1 1 34 34 ASP H H 34 9.507 9.507 8.805 0.702 19217 7365 1 20 . 1 1 35 35 GLU N N 35 118.378 118.378 119.621 -1.243 19217 7366 1 20 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.094 0.107 19217 7367 1 20 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.077 0.645 19217 7368 1 20 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.682 -0.123 19217 7369 1 20 . 1 1 35 35 GLU H H 35 7.334 7.334 7.700 -0.366 19217 7370 1 20 . 1 1 36 36 ILE N N 36 119.241 119.241 120.889 -1.648 19217 7371 1 20 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.540 -0.097 19217 7372 1 20 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.501 1.260 19217 7373 1 20 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.619 0.833 19217 7374 1 20 . 1 1 36 36 ILE H H 36 8.054 8.054 7.906 0.148 19217 7375 1 20 . 1 1 37 37 GLN N N 37 117.541 117.541 118.565 -1.024 19217 7376 1 20 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.927 0.478 19217 7377 1 20 . 1 1 37 37 GLN CA C 37 60.016 60.016 58.987 1.028 19217 7378 1 20 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.707 -0.325 19217 7379 1 20 . 1 1 37 37 GLN H H 37 8.517 8.517 8.317 0.200 19217 7380 1 20 . 1 1 38 38 GLN N N 38 113.900 113.900 118.038 -4.138 19217 7381 1 20 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.114 0.130 19217 7382 1 20 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.275 0.247 19217 7383 1 20 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.751 1.444 19217 7384 1 20 . 1 1 38 38 GLN H H 38 8.023 8.023 7.731 0.292 19217 7385 1 20 . 1 1 39 39 LYS N N 39 117.850 117.850 119.745 -1.895 19217 7386 1 20 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.909 0.247 19217 7387 1 20 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.031 -0.148 19217 7388 1 20 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.040 0.879 19217 7389 1 20 . 1 1 39 39 LYS H H 39 8.480 8.480 8.249 0.231 19217 7390 1 20 . 1 1 40 40 LEU N N 40 114.726 114.726 116.102 -1.376 19217 7391 1 20 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.341 -0.158 19217 7392 1 20 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.629 -0.399 19217 7393 1 20 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.489 -0.699 19217 7394 1 20 . 1 1 40 40 LEU H H 40 8.427 8.427 7.918 0.509 19217 7395 1 20 . 1 1 41 41 HIS N N 41 115.299 115.299 112.282 3.017 19217 7396 1 20 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.345 -0.900 19217 7397 1 20 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.536 -2.813 19217 7398 1 20 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.912 -0.694 19217 7399 1 20 . 1 1 41 41 HIS H H 41 7.466 7.466 7.295 0.171 19217 7400 1 20 . 1 1 42 42 CYS N N 42 116.999 116.999 111.680 5.319 19217 7401 1 20 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.800 0.264 19217 7402 1 20 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.119 -2.286 19217 7403 1 20 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.085 16.693 19217 7404 1 20 . 1 1 42 42 CYS H H 42 8.205 8.205 7.624 0.581 19217 7405 1 20 . 1 1 43 43 CYS N N 43 117.175 117.175 122.296 -5.121 19217 7406 1 20 . 1 1 43 43 CYS HA H 43 5.142 5.142 4.953 0.189 19217 7407 1 20 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.232 -3.791 19217 7408 1 20 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.446 13.482 19217 7409 1 20 . 1 1 43 43 CYS H H 43 9.131 9.131 8.444 0.687 19217 7410 1 20 . 1 1 44 44 GLY N N 44 113.879 113.879 115.826 -1.947 19217 7411 1 20 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.332 -1.782 19217 7412 1 20 . 1 1 44 44 GLY H H 44 8.913 8.913 8.566 0.347 19217 7413 1 20 . 1 1 45 45 ALA N N 45 122.305 122.305 123.364 -1.059 19217 7414 1 20 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.121 0.403 19217 7415 1 20 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.084 -1.260 19217 7416 1 20 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.463 -0.741 19217 7417 1 20 . 1 1 45 45 ALA H H 45 9.057 9.057 8.410 0.647 19217 7418 1 20 . 1 1 46 46 ASP N N 46 119.678 119.678 115.458 4.220 19217 7419 1 20 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.611 0.002 19217 7420 1 20 . 1 1 46 46 ASP CA C 46 57.097 57.097 55.467 1.630 19217 7421 1 20 . 1 1 46 46 ASP CB C 46 42.478 42.478 42.251 0.227 19217 7422 1 20 . 1 1 46 46 ASP H H 46 9.741 9.741 8.186 1.555 19217 7423 1 20 . 1 1 47 47 SER N N 47 112.389 112.389 111.881 0.508 19217 7424 1 20 . 1 1 47 47 SER HA H 47 4.654 4.654 4.774 -0.120 19217 7425 1 20 . 1 1 47 47 SER CA C 47 57.626 57.626 56.473 1.153 19217 7426 1 20 . 1 1 47 47 SER CB C 47 64.037 64.037 65.050 -1.014 19217 7427 1 20 . 1 1 47 47 SER H H 47 7.798 7.798 7.368 0.430 19217 7428 1 20 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.533 -0.388 19217 7429 1 20 . 1 1 48 48 PRO CA C 48 65.130 65.130 63.975 1.155 19217 7430 1 20 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.236 0.111 19217 7431 1 20 . 1 1 49 49 LYS N N 49 115.074 115.074 117.115 -2.041 19217 7432 1 20 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.187 0.030 19217 7433 1 20 . 1 1 49 49 LYS CA C 49 57.299 57.299 57.428 -0.129 19217 7434 1 20 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.198 -0.285 19217 7435 1 20 . 1 1 49 49 LYS H H 49 8.151 8.151 8.101 0.050 19217 7436 1 20 . 1 1 50 50 ASP N N 50 122.818 122.818 119.228 3.590 19217 7437 1 20 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.299 0.013 19217 7438 1 20 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.652 0.597 19217 7439 1 20 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.433 1.048 19217 7440 1 20 . 1 1 50 50 ASP H H 50 8.149 8.149 7.737 0.412 19217 7441 1 20 . 1 1 51 51 TYR N N 51 114.312 114.312 116.318 -2.006 19217 7442 1 20 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.317 0.059 19217 7443 1 20 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.298 -0.462 19217 7444 1 20 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.299 -0.395 19217 7445 1 20 . 1 1 51 51 TYR H H 51 7.260 7.260 7.312 -0.052 19217 7446 1 20 . 1 1 52 52 GLY N N 52 109.793 109.793 107.683 2.110 19217 7447 1 20 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.678 0.161 19217 7448 1 20 . 1 1 52 52 GLY H H 52 7.967 7.967 7.983 -0.016 19217 7449 1 20 . 1 1 53 53 GLU N N 53 123.571 123.571 122.713 0.858 19217 7450 1 20 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.557 -0.355 19217 7451 1 20 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.247 0.858 19217 7452 1 20 . 1 1 53 53 GLU CB C 53 30.020 30.020 30.078 -0.058 19217 7453 1 20 . 1 1 53 53 GLU H H 53 8.788 8.788 8.493 0.295 19217 7454 1 20 . 1 1 54 54 ASN N N 54 115.160 115.160 118.849 -3.689 19217 7455 1 20 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.949 0.273 19217 7456 1 20 . 1 1 54 54 ASN CA C 54 50.964 50.964 52.236 -1.272 19217 7457 1 20 . 1 1 54 54 ASN CB C 54 40.400 40.400 39.498 0.902 19217 7458 1 20 . 1 1 54 54 ASN H H 54 7.853 7.853 8.362 -0.509 19217 7459 1 20 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.118 -0.073 19217 7460 1 20 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.463 -0.175 19217 7461 1 20 . 1 1 55 55 PRO CB C 55 30.671 30.671 30.988 -0.317 19217 7462 1 20 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.287 0.246 19217 7463 1 20 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.119 -0.425 19217 7464 1 20 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.342 1.115 19217 7465 1 20 . 1 1 57 57 THR N N 57 116.449 116.449 114.818 1.631 19217 7466 1 20 . 1 1 57 57 THR HA H 57 3.832 3.832 3.914 -0.082 19217 7467 1 20 . 1 1 57 57 THR CA C 57 65.318 65.318 65.043 0.275 19217 7468 1 20 . 1 1 57 57 THR CB C 57 68.433 68.433 68.487 -0.054 19217 7469 1 20 . 1 1 57 57 THR H H 57 8.894 8.894 8.776 0.118 19217 7470 1 20 . 1 1 58 58 SER N N 58 113.767 113.767 115.959 -2.192 19217 7471 1 20 . 1 1 58 58 SER HA H 58 4.409 4.409 4.282 0.127 19217 7472 1 20 . 1 1 58 58 SER CA C 58 59.123 59.123 60.809 -1.686 19217 7473 1 20 . 1 1 58 58 SER CB C 58 62.669 62.669 62.383 0.286 19217 7474 1 20 . 1 1 58 58 SER H H 58 7.839 7.839 8.355 -0.516 19217 7475 1 20 . 1 1 59 59 CYS N N 59 117.062 117.062 122.538 -5.476 19217 7476 1 20 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.449 0.333 19217 7477 1 20 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.368 1.544 19217 7478 1 20 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.655 19.162 19217 7479 1 20 . 1 1 59 59 CYS H H 59 7.397 7.397 7.606 -0.209 19217 7480 1 20 . 1 1 60 60 SER N N 60 112.368 112.368 112.122 0.246 19217 7481 1 20 . 1 1 60 60 SER HA H 60 4.258 4.258 4.654 -0.396 19217 7482 1 20 . 1 1 60 60 SER CA C 60 56.925 56.925 56.322 0.603 19217 7483 1 20 . 1 1 60 60 SER CB C 60 67.049 67.049 66.009 1.040 19217 7484 1 20 . 1 1 60 60 SER H H 60 7.486 7.486 7.156 0.330 19217 7485 1 20 . 1 1 61 61 LYS N N 61 120.402 120.402 120.238 0.164 19217 7486 1 20 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.429 -0.038 19217 7487 1 20 . 1 1 61 61 LYS CA C 61 56.317 56.317 56.887 -0.570 19217 7488 1 20 . 1 1 61 61 LYS CB C 61 35.944 35.944 35.342 0.602 19217 7489 1 20 . 1 1 61 61 LYS H H 61 7.918 7.918 8.449 -0.531 19217 7490 1 20 . 1 1 62 62 ASP N N 62 128.253 128.253 126.124 2.129 19217 7491 1 20 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.391 -0.111 19217 7492 1 20 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.046 0.653 19217 7493 1 20 . 1 1 62 62 ASP CB C 62 39.522 39.522 39.267 0.255 19217 7494 1 20 . 1 1 62 62 ASP H H 62 9.517 9.517 9.157 0.360 19217 7495 1 20 . 1 1 63 63 GLY N N 63 103.421 103.421 104.827 -1.406 19217 7496 1 20 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.165 0.037 19217 7497 1 20 . 1 1 63 63 GLY H H 63 8.597 8.597 8.353 0.244 19217 7498 1 20 . 1 1 64 64 VAL N N 64 122.304 122.304 118.991 3.313 19217 7499 1 20 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.300 -0.241 19217 7500 1 20 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.359 1.283 19217 7501 1 20 . 1 1 64 64 VAL CB C 64 33.283 33.283 34.608 -1.325 19217 7502 1 20 . 1 1 64 64 VAL H H 64 7.630 7.630 7.287 0.343 19217 7503 1 20 . 1 1 65 65 GLN N N 65 126.376 126.376 124.136 2.240 19217 7504 1 20 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.242 -0.119 19217 7505 1 20 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.254 0.730 19217 7506 1 20 . 1 1 65 65 GLN CB C 65 30.137 30.137 31.076 -0.939 19217 7507 1 20 . 1 1 65 65 GLN H H 65 8.366 8.366 8.471 -0.105 19217 7508 1 20 . 1 1 66 66 PHE N N 66 126.770 126.770 126.889 -0.119 19217 7509 1 20 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.545 0.380 19217 7510 1 20 . 1 1 66 66 PHE CA C 66 55.442 55.442 56.818 -1.376 19217 7511 1 20 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.210 -0.618 19217 7512 1 20 . 1 1 66 66 PHE H H 66 8.606 8.606 8.264 0.342 19217 7513 1 20 . 1 1 67 67 THR N N 67 110.796 110.796 114.058 -3.262 19217 7514 1 20 . 1 1 67 67 THR HA H 67 4.378 4.378 4.423 -0.045 19217 7515 1 20 . 1 1 67 67 THR CA C 67 62.290 62.290 61.528 0.762 19217 7516 1 20 . 1 1 67 67 THR CB C 67 69.730 69.730 68.803 0.927 19217 7517 1 20 . 1 1 67 67 THR H H 67 8.105 8.105 8.614 -0.510 19217 7518 1 20 . 1 1 68 68 GLU N N 68 122.415 122.415 122.009 0.406 19217 7519 1 20 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.691 -0.055 19217 7520 1 20 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.698 0.571 19217 7521 1 20 . 1 1 68 68 GLU CB C 68 32.089 32.089 33.013 -0.924 19217 7522 1 20 . 1 1 68 68 GLU H H 68 8.171 8.171 7.982 0.189 19217 7523 1 20 . 1 1 69 69 GLY N N 69 109.155 109.155 107.867 1.288 19217 7524 1 20 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.140 0.221 19217 7525 1 20 . 1 1 69 69 GLY H H 69 8.870 8.870 8.521 0.349 19217 7526 1 20 . 1 1 70 70 CYS N N 70 116.376 116.376 118.786 -2.410 19217 7527 1 20 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.657 -0.212 19217 7528 1 20 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.950 -3.501 19217 7529 1 20 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.611 13.180 19217 7530 1 20 . 1 1 70 70 CYS H H 70 8.335 8.335 8.590 -0.255 19217 7531 1 20 . 1 1 71 71 ILE N N 71 121.812 121.812 120.935 0.877 19217 7532 1 20 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.568 -0.049 19217 7533 1 20 . 1 1 71 71 ILE CA C 71 66.807 66.807 65.940 0.867 19217 7534 1 20 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.587 -0.761 19217 7535 1 20 . 1 1 71 71 ILE H H 71 9.129 9.129 8.584 0.545 19217 7536 1 20 . 1 1 72 72 LYS N N 72 121.424 121.424 118.346 3.078 19217 7537 1 20 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.167 -0.152 19217 7538 1 20 . 1 1 72 72 LYS CA C 72 59.203 59.203 58.881 0.322 19217 7539 1 20 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.010 0.073 19217 7540 1 20 . 1 1 72 72 LYS H H 72 8.179 8.179 8.380 -0.201 19217 7541 1 20 . 1 1 73 73 LYS N N 73 115.131 115.131 120.429 -5.298 19217 7542 1 20 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.113 0.070 19217 7543 1 20 . 1 1 73 73 LYS CA C 73 57.742 57.742 59.325 -1.583 19217 7544 1 20 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.192 -0.010 19217 7545 1 20 . 1 1 73 73 LYS H H 73 7.287 7.287 7.636 -0.349 19217 7546 1 20 . 1 1 74 74 VAL N N 74 117.637 117.637 116.442 1.195 19217 7547 1 20 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.678 -0.046 19217 7548 1 20 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.381 -0.442 19217 7549 1 20 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.890 0.542 19217 7550 1 20 . 1 1 74 74 VAL H H 74 8.398 8.398 8.502 -0.104 19217 7551 1 20 . 1 1 75 75 SER N N 75 117.090 117.090 115.046 2.044 19217 7552 1 20 . 1 1 75 75 SER HA H 75 4.144 4.144 4.137 0.007 19217 7553 1 20 . 1 1 75 75 SER CA C 75 61.816 61.816 61.852 -0.035 19217 7554 1 20 . 1 1 75 75 SER CB C 75 62.840 62.840 62.967 -0.127 19217 7555 1 20 . 1 1 75 75 SER H H 75 8.249 8.249 7.615 0.634 19217 7556 1 20 . 1 1 76 76 ASP N N 76 121.102 121.102 122.346 -1.244 19217 7557 1 20 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.365 0.111 19217 7558 1 20 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.346 -0.929 19217 7559 1 20 . 1 1 76 76 ASP CB C 76 40.436 40.436 41.006 -0.570 19217 7560 1 20 . 1 1 76 76 ASP H H 76 8.240 8.240 8.024 0.216 19217 7561 1 20 . 1 1 77 77 LEU N N 77 119.967 119.967 116.703 3.264 19217 7562 1 20 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.333 -0.122 19217 7563 1 20 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.415 -0.755 19217 7564 1 20 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.553 0.663 19217 7565 1 20 . 1 1 77 77 LEU H H 77 7.728 7.728 7.787 -0.059 19217 7566 1 20 . 1 1 78 78 SER N N 78 113.729 113.729 115.172 -1.443 19217 7567 1 20 . 1 1 78 78 SER HA H 78 4.379 4.379 4.222 0.157 19217 7568 1 20 . 1 1 78 78 SER CA C 78 59.286 59.286 60.781 -1.495 19217 7569 1 20 . 1 1 78 78 SER CB C 78 63.761 63.761 63.076 0.685 19217 7570 1 20 . 1 1 78 78 SER H H 78 7.873 7.873 8.048 -0.175 19217 7571 1 20 . 1 1 79 79 LYS N N 79 121.616 121.616 119.616 2.000 19217 7572 1 20 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.165 0.123 19217 7573 1 20 . 1 1 79 79 LYS CA C 79 56.416 56.416 57.471 -1.055 19217 7574 1 20 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.928 -0.086 19217 7575 1 20 . 1 1 79 79 LYS H H 79 7.741 7.741 7.820 -0.079 19217 7576 1 20 . 1 1 80 80 ALA N N 80 124.562 124.562 121.426 3.136 19217 7577 1 20 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.327 -0.053 19217 7578 1 20 . 1 1 80 80 ALA CA C 80 52.613 52.613 51.660 0.952 19217 7579 1 20 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.809 -0.539 19217 7580 1 20 . 1 1 80 80 ALA H H 80 8.044 8.044 7.156 0.888 19217 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 75 2.515 -0.002 2.532 19217 2 1 1 "Average Difference" HA 83 0.263 0.014 0.264 19217 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19217 4 1 1 "Average Difference" CA 79 1.190 0.030 1.198 19217 5 1 1 "Average Difference" CB 75 3.820 -0.966 3.721 19217 6 1 1 "Average Difference" HN 75 0.387 -0.181 0.344 19217 7 1 2 "Average Difference" N 75 2.534 0.167 2.546 19217 8 1 2 "Average Difference" HA 83 0.241 -0.001 0.243 19217 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19217 10 1 2 "Average Difference" CA 79 1.246 0.099 1.250 19217 11 1 2 "Average Difference" CB 75 3.749 -0.954 3.650 19217 12 1 2 "Average Difference" HN 75 0.402 -0.162 0.371 19217 13 1 3 "Average Difference" N 75 2.554 0.166 2.566 19217 14 1 3 "Average Difference" HA 83 0.255 0.008 0.256 19217 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19217 16 1 3 "Average Difference" CA 79 1.255 0.085 1.260 19217 17 1 3 "Average Difference" CB 75 3.725 -0.937 3.630 19217 18 1 3 "Average Difference" HN 75 0.423 -0.177 0.387 19217 19 1 4 "Average Difference" N 75 2.470 0.238 2.475 19217 20 1 4 "Average Difference" HA 83 0.267 0.021 0.268 19217 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19217 22 1 4 "Average Difference" CA 79 1.277 0.088 1.282 19217 23 1 4 "Average Difference" CB 75 3.759 -0.883 3.678 19217 24 1 4 "Average Difference" HN 75 0.446 -0.179 0.411 19217 25 1 5 "Average Difference" N 75 2.485 0.010 2.501 19217 26 1 5 "Average Difference" HA 83 0.239 0.002 0.241 19217 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19217 28 1 5 "Average Difference" CA 79 1.215 0.130 1.216 19217 29 1 5 "Average Difference" CB 75 3.791 -0.911 3.705 19217 30 1 5 "Average Difference" HN 75 0.424 -0.191 0.381 19217 31 1 6 "Average Difference" N 75 2.467 -0.010 2.484 19217 32 1 6 "Average Difference" HA 83 0.239 0.018 0.240 19217 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19217 34 1 6 "Average Difference" CA 79 1.236 0.057 1.242 19217 35 1 6 "Average Difference" CB 75 3.769 -0.990 3.661 19217 36 1 6 "Average Difference" HN 75 0.449 -0.191 0.409 19217 37 1 7 "Average Difference" N 75 2.418 0.138 2.430 19217 38 1 7 "Average Difference" HA 83 0.249 0.038 0.248 19217 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19217 40 1 7 "Average Difference" CA 79 1.158 0.135 1.157 19217 41 1 7 "Average Difference" CB 75 3.711 -0.848 3.637 19217 42 1 7 "Average Difference" HN 75 0.423 -0.161 0.393 19217 43 1 8 "Average Difference" N 75 2.509 0.114 2.524 19217 44 1 8 "Average Difference" HA 83 0.241 0.015 0.242 19217 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19217 46 1 8 "Average Difference" CA 79 1.228 0.069 1.234 19217 47 1 8 "Average Difference" CB 75 3.685 -0.926 3.591 19217 48 1 8 "Average Difference" HN 75 0.433 -0.195 0.389 19217 49 1 9 "Average Difference" N 75 2.447 0.215 2.454 19217 50 1 9 "Average Difference" HA 83 0.258 0.012 0.260 19217 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19217 52 1 9 "Average Difference" CA 79 1.207 0.117 1.209 19217 53 1 9 "Average Difference" CB 75 3.805 -0.870 3.729 19217 54 1 9 "Average Difference" HN 75 0.428 -0.168 0.396 19217 55 1 10 "Average Difference" N 75 2.497 0.116 2.511 19217 56 1 10 "Average Difference" HA 83 0.255 0.023 0.255 19217 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19217 58 1 10 "Average Difference" CA 79 1.167 0.111 1.169 19217 59 1 10 "Average Difference" CB 75 3.714 -0.888 3.630 19217 60 1 10 "Average Difference" HN 75 0.392 -0.155 0.362 19217 61 1 11 "Average Difference" N 75 2.494 0.185 2.504 19217 62 1 11 "Average Difference" HA 83 0.249 0.041 0.248 19217 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19217 64 1 11 "Average Difference" CA 79 1.207 0.106 1.210 19217 65 1 11 "Average Difference" CB 75 3.696 -0.779 3.637 19217 66 1 11 "Average Difference" HN 75 0.429 -0.170 0.397 19217 67 1 12 "Average Difference" N 75 2.447 0.048 2.463 19217 68 1 12 "Average Difference" HA 83 0.257 0.025 0.257 19217 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19217 70 1 12 "Average Difference" CA 79 1.213 0.093 1.217 19217 71 1 12 "Average Difference" CB 75 3.724 -0.886 3.641 19217 72 1 12 "Average Difference" HN 75 0.449 -0.181 0.414 19217 73 1 13 "Average Difference" N 75 2.443 0.211 2.451 19217 74 1 13 "Average Difference" HA 83 0.255 -0.008 0.256 19217 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19217 76 1 13 "Average Difference" CA 79 1.293 0.140 1.294 19217 77 1 13 "Average Difference" CB 75 3.830 -0.996 3.723 19217 78 1 13 "Average Difference" HN 75 0.399 -0.156 0.370 19217 79 1 14 "Average Difference" N 75 2.604 0.142 2.617 19217 80 1 14 "Average Difference" HA 83 0.235 0.020 0.235 19217 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19217 82 1 14 "Average Difference" CA 79 1.246 0.078 1.251 19217 83 1 14 "Average Difference" CB 75 3.673 -0.901 3.585 19217 84 1 14 "Average Difference" HN 75 0.397 -0.150 0.370 19217 85 1 15 "Average Difference" N 75 2.480 -0.079 2.496 19217 86 1 15 "Average Difference" HA 83 0.261 0.043 0.259 19217 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19217 88 1 15 "Average Difference" CA 79 1.149 0.140 1.148 19217 89 1 15 "Average Difference" CB 75 3.713 -0.830 3.643 19217 90 1 15 "Average Difference" HN 75 0.432 -0.168 0.401 19217 91 1 16 "Average Difference" N 75 2.479 -0.049 2.496 19217 92 1 16 "Average Difference" HA 83 0.247 0.022 0.247 19217 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19217 94 1 16 "Average Difference" CA 79 1.239 0.110 1.242 19217 95 1 16 "Average Difference" CB 75 3.726 -0.878 3.645 19217 96 1 16 "Average Difference" HN 75 0.431 -0.161 0.402 19217 97 1 17 "Average Difference" N 75 2.539 -0.038 2.555 19217 98 1 17 "Average Difference" HA 83 0.263 0.019 0.264 19217 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19217 100 1 17 "Average Difference" CA 79 1.226 0.150 1.224 19217 101 1 17 "Average Difference" CB 75 3.703 -0.945 3.604 19217 102 1 17 "Average Difference" HN 75 0.442 -0.164 0.413 19217 103 1 18 "Average Difference" N 75 2.545 0.180 2.556 19217 104 1 18 "Average Difference" HA 83 0.232 0.002 0.233 19217 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19217 106 1 18 "Average Difference" CA 79 1.210 0.023 1.217 19217 107 1 18 "Average Difference" CB 75 3.767 -0.960 3.667 19217 108 1 18 "Average Difference" HN 75 0.405 -0.192 0.360 19217 109 1 19 "Average Difference" N 75 2.437 0.077 2.452 19217 110 1 19 "Average Difference" HA 83 0.252 0.018 0.253 19217 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19217 112 1 19 "Average Difference" CA 79 1.213 0.083 1.218 19217 113 1 19 "Average Difference" CB 75 3.721 -0.864 3.644 19217 114 1 19 "Average Difference" HN 75 0.462 -0.163 0.436 19217 115 1 20 "Average Difference" N 75 2.613 0.164 2.625 19217 116 1 20 "Average Difference" HA 83 0.259 0.009 0.261 19217 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19217 118 1 20 "Average Difference" CA 79 1.164 0.090 1.168 19217 119 1 20 "Average Difference" CB 75 3.734 -0.920 3.643 19217 120 1 20 "Average Difference" HN 75 0.392 -0.096 0.383 19217 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 19217 _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 2 115.654 115.654 116.640 -0.986 19217 2 1 . 1 1 2 2 SER HA H 2 4.496 4.496 4.627 -0.131 19217 3 1 . 1 1 2 2 SER CA C 2 58.438 58.438 58.077 0.361 19217 4 1 . 1 1 2 2 SER CB C 2 63.859 63.859 64.390 -0.531 19217 5 1 . 1 1 2 2 SER H H 2 8.716 8.716 8.287 0.429 19217 6 1 . 1 1 3 3 ASN N N 3 120.885 120.885 120.803 0.082 19217 7 1 . 1 1 3 3 ASN HA H 3 4.728 4.728 4.735 -0.007 19217 8 1 . 1 1 3 3 ASN CA C 3 53.319 53.319 53.339 -0.020 19217 9 1 . 1 1 3 3 ASN CB C 3 38.647 38.647 38.965 -0.319 19217 10 1 . 1 1 3 3 ASN H H 3 8.703 8.703 8.477 0.226 19217 11 1 . 1 1 4 4 GLU N N 4 120.920 120.920 120.972 -0.051 19217 12 1 . 1 1 4 4 GLU HA H 4 4.272 4.272 4.441 -0.169 19217 13 1 . 1 1 4 4 GLU CA C 4 56.434 56.434 56.156 0.278 19217 14 1 . 1 1 4 4 GLU CB C 4 30.469 30.469 29.696 0.773 19217 15 1 . 1 1 4 4 GLU H H 4 8.261 8.261 8.439 -0.178 19217 16 1 . 1 1 5 5 LYS N N 5 124.113 124.113 123.601 0.512 19217 17 1 . 1 1 5 5 LYS HA H 5 4.548 4.548 4.666 -0.118 19217 18 1 . 1 1 5 5 LYS CA C 5 54.630 54.630 53.997 0.633 19217 19 1 . 1 1 5 5 LYS CB C 5 32.094 32.094 32.194 -0.100 19217 20 1 . 1 1 5 5 LYS H H 5 8.452 8.452 8.258 0.194 19217 21 1 . 1 1 6 6 PRO HA H 6 4.382 4.382 4.505 -0.123 19217 22 1 . 1 1 6 6 PRO CA C 6 63.366 63.366 62.482 0.884 19217 23 1 . 1 1 6 6 PRO CB C 6 32.133 32.133 32.653 -0.520 19217 24 1 . 1 1 7 7 LYS N N 7 121.721 121.721 120.321 1.400 19217 25 1 . 1 1 7 7 LYS HA H 7 4.282 4.282 4.437 -0.155 19217 26 1 . 1 1 7 7 LYS CA C 7 56.580 56.580 55.619 0.961 19217 27 1 . 1 1 7 7 LYS CB C 7 32.989 32.989 32.955 0.034 19217 28 1 . 1 1 7 7 LYS H H 7 8.449 8.449 8.258 0.191 19217 29 1 . 1 1 8 8 VAL N N 8 121.294 121.294 123.690 -2.396 19217 30 1 . 1 1 8 8 VAL HA H 8 4.030 4.030 4.285 -0.255 19217 31 1 . 1 1 8 8 VAL CA C 8 62.751 62.751 60.884 1.867 19217 32 1 . 1 1 8 8 VAL CB C 8 32.778 32.778 34.275 -1.497 19217 33 1 . 1 1 8 8 VAL H H 8 8.062 8.062 8.411 -0.349 19217 34 1 . 1 1 9 9 LYS N N 9 125.108 125.108 125.061 0.047 19217 35 1 . 1 1 9 9 LYS HA H 9 4.201 4.201 4.170 0.031 19217 36 1 . 1 1 9 9 LYS CA C 9 57.275 57.275 58.804 -1.529 19217 37 1 . 1 1 9 9 LYS CB C 9 32.882 32.882 32.348 0.534 19217 38 1 . 1 1 9 9 LYS H H 9 8.429 8.429 8.773 -0.344 19217 39 1 . 1 1 10 10 LYS N N 10 122.428 122.428 117.756 4.672 19217 40 1 . 1 1 10 10 LYS HA H 10 4.200 4.200 4.342 -0.142 19217 41 1 . 1 1 10 10 LYS CA C 10 57.424 57.424 56.898 0.526 19217 42 1 . 1 1 10 10 LYS CB C 10 32.908 32.908 31.537 1.371 19217 43 1 . 1 1 10 10 LYS H H 10 8.322 8.322 8.411 -0.089 19217 44 1 . 1 1 11 11 HIS N N 11 119.909 119.909 119.163 0.746 19217 45 1 . 1 1 11 11 HIS HA H 11 4.611 4.611 4.406 0.205 19217 46 1 . 1 1 11 11 HIS CA C 11 56.994 56.994 58.509 -1.515 19217 47 1 . 1 1 11 11 HIS CB C 11 29.609 29.609 29.592 0.017 19217 48 1 . 1 1 11 11 HIS H H 11 8.402 8.402 7.971 0.431 19217 49 1 . 1 1 12 12 ILE N N 12 121.819 121.819 119.761 2.058 19217 50 1 . 1 1 12 12 ILE HA H 12 3.859 3.859 3.562 0.297 19217 51 1 . 1 1 12 12 ILE CA C 12 63.365 63.365 65.003 -1.638 19217 52 1 . 1 1 12 12 ILE CB C 12 38.355 38.355 37.379 0.976 19217 53 1 . 1 1 12 12 ILE H H 12 8.152 8.152 7.630 0.522 19217 54 1 . 1 1 13 13 THR N N 13 116.420 116.420 114.143 2.276 19217 55 1 . 1 1 13 13 THR HA H 13 3.933 3.933 3.932 0.001 19217 56 1 . 1 1 13 13 THR CA C 13 64.847 64.847 66.536 -1.689 19217 57 1 . 1 1 13 13 THR CB C 13 68.899 68.899 68.386 0.513 19217 58 1 . 1 1 13 13 THR H H 13 8.095 8.095 8.014 0.081 19217 59 1 . 1 1 14 14 SER N N 14 116.367 116.367 117.159 -0.792 19217 60 1 . 1 1 14 14 SER HA H 14 4.230 4.230 4.194 0.036 19217 61 1 . 1 1 14 14 SER CA C 14 60.111 60.111 61.423 -1.312 19217 62 1 . 1 1 14 14 SER CB C 14 63.317 63.317 62.867 0.450 19217 63 1 . 1 1 14 14 SER H H 14 8.111 8.111 7.739 0.372 19217 64 1 . 1 1 15 15 ALA N N 15 124.756 124.756 124.716 0.040 19217 65 1 . 1 1 15 15 ALA HA H 15 4.130 4.130 4.101 0.029 19217 66 1 . 1 1 15 15 ALA CA C 15 54.838 54.838 54.874 -0.036 19217 67 1 . 1 1 15 15 ALA CB C 15 18.765 18.765 18.345 0.420 19217 68 1 . 1 1 15 15 ALA H H 15 8.248 8.248 7.772 0.476 19217 69 1 . 1 1 16 16 LEU N N 16 116.067 116.067 119.521 -3.454 19217 70 1 . 1 1 16 16 LEU HA H 16 4.039 4.039 4.156 -0.117 19217 71 1 . 1 1 16 16 LEU CA C 16 57.875 57.875 58.255 -0.380 19217 72 1 . 1 1 16 16 LEU CB C 16 41.392 41.392 41.797 -0.405 19217 73 1 . 1 1 16 16 LEU H H 16 8.188 8.188 8.303 -0.115 19217 74 1 . 1 1 17 17 LYS N N 17 119.021 119.021 118.295 0.726 19217 75 1 . 1 1 17 17 LYS HA H 17 3.829 3.829 3.944 -0.115 19217 76 1 . 1 1 17 17 LYS CA C 17 58.926 58.926 59.625 -0.699 19217 77 1 . 1 1 17 17 LYS CB C 17 31.963 31.963 32.091 -0.128 19217 78 1 . 1 1 17 17 LYS H H 17 7.870 7.870 7.891 -0.021 19217 79 1 . 1 1 18 18 LYS N N 18 117.677 117.677 119.069 -1.391 19217 80 1 . 1 1 18 18 LYS HA H 18 4.111 4.111 4.118 -0.007 19217 81 1 . 1 1 18 18 LYS CA C 18 58.704 58.704 58.613 0.091 19217 82 1 . 1 1 18 18 LYS CB C 18 32.220 32.220 32.236 -0.016 19217 83 1 . 1 1 18 18 LYS H H 18 7.598 7.598 7.521 0.077 19217 84 1 . 1 1 19 19 LEU N N 19 117.430 117.430 121.235 -3.805 19217 85 1 . 1 1 19 19 LEU HA H 19 4.075 4.075 3.903 0.172 19217 86 1 . 1 1 19 19 LEU CA C 19 57.521 57.521 57.892 -0.371 19217 87 1 . 1 1 19 19 LEU CB C 19 41.955 41.955 41.894 0.061 19217 88 1 . 1 1 19 19 LEU H H 19 7.594 7.594 7.942 -0.348 19217 89 1 . 1 1 20 20 VAL N N 20 118.252 118.252 115.783 2.469 19217 90 1 . 1 1 20 20 VAL HA H 20 3.363 3.363 3.320 0.043 19217 91 1 . 1 1 20 20 VAL CA C 20 66.046 66.046 64.879 1.167 19217 92 1 . 1 1 20 20 VAL CB C 20 31.156 31.156 31.648 -0.492 19217 93 1 . 1 1 20 20 VAL H H 20 7.662 7.662 7.633 0.029 19217 94 1 . 1 1 21 21 ASP N N 21 119.557 119.557 119.596 -0.039 19217 95 1 . 1 1 21 21 ASP HA H 21 4.470 4.470 4.454 0.016 19217 96 1 . 1 1 21 21 ASP CA C 21 56.646 56.646 56.316 0.330 19217 97 1 . 1 1 21 21 ASP CB C 21 40.915 40.915 41.015 -0.100 19217 98 1 . 1 1 21 21 ASP H H 21 7.645 7.645 7.540 0.105 19217 99 1 . 1 1 22 22 LYS N N 22 117.493 117.493 118.604 -1.111 19217 100 1 . 1 1 22 22 LYS HA H 22 4.555 4.555 4.480 0.075 19217 101 1 . 1 1 22 22 LYS CA C 22 56.271 56.271 55.280 0.991 19217 102 1 . 1 1 22 22 LYS CB C 22 33.805 33.805 32.008 1.796 19217 103 1 . 1 1 22 22 LYS H H 22 7.782 7.782 7.953 -0.171 19217 104 1 . 1 1 23 23 TYR N N 23 121.877 121.877 121.349 0.528 19217 105 1 . 1 1 23 23 TYR HA H 23 3.699 3.699 4.115 -0.415 19217 106 1 . 1 1 23 23 TYR CA C 23 63.376 63.376 62.122 1.254 19217 107 1 . 1 1 23 23 TYR CB C 23 40.332 40.332 38.971 1.361 19217 108 1 . 1 1 23 23 TYR H H 23 7.738 7.738 7.286 0.452 19217 109 1 . 1 1 24 24 ARG N N 24 111.739 111.739 116.887 -5.148 19217 110 1 . 1 1 24 24 ARG HA H 24 4.142 4.142 4.368 -0.226 19217 111 1 . 1 1 24 24 ARG CA C 24 57.874 57.874 56.784 1.090 19217 112 1 . 1 1 24 24 ARG CB C 24 29.799 29.799 29.664 0.135 19217 113 1 . 1 1 24 24 ARG H H 24 8.577 8.577 8.595 -0.018 19217 114 1 . 1 1 25 25 ASN N N 25 113.359 113.359 117.134 -3.775 19217 115 1 . 1 1 25 25 ASN HA H 25 5.020 5.020 4.768 0.252 19217 116 1 . 1 1 25 25 ASN CA C 25 53.315 53.315 54.520 -1.205 19217 117 1 . 1 1 25 25 ASN CB C 25 40.874 40.874 40.477 0.397 19217 118 1 . 1 1 25 25 ASN H H 25 7.711 7.711 7.704 0.007 19217 119 1 . 1 1 26 26 ASP N N 26 120.181 120.181 120.099 0.082 19217 120 1 . 1 1 26 26 ASP HA H 26 4.931 4.931 4.893 0.038 19217 121 1 . 1 1 26 26 ASP CA C 26 53.596 53.596 53.031 0.565 19217 122 1 . 1 1 26 26 ASP CB C 26 43.635 43.635 43.166 0.469 19217 123 1 . 1 1 26 26 ASP H H 26 7.424 7.424 7.888 -0.463 19217 124 1 . 1 1 27 27 GLU N N 27 126.678 126.678 125.716 0.962 19217 125 1 . 1 1 27 27 GLU HA H 27 3.802 3.802 3.915 -0.113 19217 126 1 . 1 1 27 27 GLU CA C 27 59.190 59.190 59.348 -0.158 19217 127 1 . 1 1 27 27 GLU CB C 27 29.759 29.759 29.365 0.394 19217 128 1 . 1 1 27 27 GLU H H 27 9.073 9.073 8.888 0.185 19217 129 1 . 1 1 28 28 HIS N N 28 118.927 118.927 118.459 0.468 19217 130 1 . 1 1 28 28 HIS HA H 28 4.411 4.411 4.309 0.102 19217 131 1 . 1 1 28 28 HIS CA C 28 58.777 58.777 58.210 0.567 19217 132 1 . 1 1 28 28 HIS CB C 28 27.817 27.817 29.815 -1.998 19217 133 1 . 1 1 28 28 HIS H H 28 8.585 8.585 8.277 0.308 19217 134 1 . 1 1 29 29 VAL N N 29 120.860 120.860 118.399 2.461 19217 135 1 . 1 1 29 29 VAL HA H 29 3.440 3.440 3.785 -0.345 19217 136 1 . 1 1 29 29 VAL CA C 29 66.677 66.677 65.580 1.097 19217 137 1 . 1 1 29 29 VAL CB C 29 31.504 31.504 31.329 0.175 19217 138 1 . 1 1 29 29 VAL H H 29 7.811 7.811 7.589 0.222 19217 139 1 . 1 1 30 30 ARG N N 30 119.042 119.042 119.827 -0.785 19217 140 1 . 1 1 30 30 ARG HA H 30 3.876 3.876 3.498 0.378 19217 141 1 . 1 1 30 30 ARG CA C 30 60.274 60.274 59.753 0.521 19217 142 1 . 1 1 30 30 ARG CB C 30 30.055 30.055 29.433 0.622 19217 143 1 . 1 1 30 30 ARG H H 30 7.919 7.919 7.605 0.314 19217 144 1 . 1 1 31 31 LYS N N 31 116.630 116.630 118.746 -2.116 19217 145 1 . 1 1 31 31 LYS HA H 31 4.126 4.126 4.079 0.047 19217 146 1 . 1 1 31 31 LYS CA C 31 59.585 59.585 59.363 0.222 19217 147 1 . 1 1 31 31 LYS CB C 31 32.463 32.463 31.796 0.667 19217 148 1 . 1 1 31 31 LYS H H 31 7.583 7.583 7.600 -0.017 19217 149 1 . 1 1 32 32 VAL N N 32 118.507 118.507 120.518 -2.011 19217 150 1 . 1 1 32 32 VAL HA H 32 3.785 3.785 3.853 -0.068 19217 151 1 . 1 1 32 32 VAL CA C 32 66.099 66.099 66.061 0.038 19217 152 1 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.760 0.510 19217 153 1 . 1 1 32 32 VAL H H 32 7.576 7.576 7.329 0.247 19217 154 1 . 1 1 33 33 PHE N N 33 120.874 120.874 119.926 0.948 19217 155 1 . 1 1 33 33 PHE HA H 33 4.276 4.276 4.205 0.071 19217 156 1 . 1 1 33 33 PHE CA C 33 61.515 61.515 61.501 0.014 19217 157 1 . 1 1 33 33 PHE CB C 33 39.353 39.353 39.136 0.217 19217 158 1 . 1 1 33 33 PHE H H 33 9.246 9.246 8.927 0.318 19217 159 1 . 1 1 34 34 ASP N N 34 119.331 119.331 120.566 -1.235 19217 160 1 . 1 1 34 34 ASP HA H 34 4.528 4.528 4.432 0.096 19217 161 1 . 1 1 34 34 ASP CA C 34 58.608 58.608 57.977 0.631 19217 162 1 . 1 1 34 34 ASP CB C 34 39.921 39.921 40.822 -0.901 19217 163 1 . 1 1 34 34 ASP H H 34 9.507 9.507 8.614 0.893 19217 164 1 . 1 1 35 35 GLU N N 35 118.378 118.378 119.521 -1.143 19217 165 1 . 1 1 35 35 GLU HA H 35 4.201 4.201 4.104 0.097 19217 166 1 . 1 1 35 35 GLU CA C 35 59.722 59.722 59.052 0.670 19217 167 1 . 1 1 35 35 GLU CB C 35 29.559 29.559 29.529 0.030 19217 168 1 . 1 1 35 35 GLU H H 35 7.334 7.334 7.641 -0.307 19217 169 1 . 1 1 36 36 ILE N N 36 119.241 119.241 120.965 -1.725 19217 170 1 . 1 1 36 36 ILE HA H 36 3.443 3.443 3.565 -0.122 19217 171 1 . 1 1 36 36 ILE CA C 36 66.761 66.761 65.312 1.449 19217 172 1 . 1 1 36 36 ILE CB C 36 38.452 38.452 37.599 0.853 19217 173 1 . 1 1 36 36 ILE H H 36 8.054 8.054 7.704 0.350 19217 174 1 . 1 1 37 37 GLN N N 37 117.541 117.541 118.720 -1.179 19217 175 1 . 1 1 37 37 GLN HA H 37 4.405 4.405 3.928 0.477 19217 176 1 . 1 1 37 37 GLN CA C 37 60.016 60.016 59.067 0.948 19217 177 1 . 1 1 37 37 GLN CB C 37 28.383 28.383 28.715 -0.332 19217 178 1 . 1 1 37 37 GLN H H 37 8.517 8.517 8.287 0.230 19217 179 1 . 1 1 38 38 GLN N N 38 113.900 113.900 118.162 -4.262 19217 180 1 . 1 1 38 38 GLN HA H 38 4.244 4.244 4.115 0.129 19217 181 1 . 1 1 38 38 GLN CA C 38 58.522 58.522 58.316 0.206 19217 182 1 . 1 1 38 38 GLN CB C 38 30.195 30.195 28.745 1.450 19217 183 1 . 1 1 38 38 GLN H H 38 8.023 8.023 7.732 0.291 19217 184 1 . 1 1 39 39 LYS N N 39 117.850 117.850 119.742 -1.892 19217 185 1 . 1 1 39 39 LYS HA H 39 4.156 4.156 3.910 0.246 19217 186 1 . 1 1 39 39 LYS CA C 39 58.883 58.883 59.030 -0.147 19217 187 1 . 1 1 39 39 LYS CB C 39 32.919 32.919 32.047 0.872 19217 188 1 . 1 1 39 39 LYS H H 39 8.480 8.480 8.238 0.242 19217 189 1 . 1 1 40 40 LEU N N 40 114.726 114.726 115.846 -1.120 19217 190 1 . 1 1 40 40 LEU HA H 40 4.183 4.183 4.367 -0.184 19217 191 1 . 1 1 40 40 LEU CA C 40 54.230 54.230 54.432 -0.202 19217 192 1 . 1 1 40 40 LEU CB C 40 41.789 41.789 42.593 -0.804 19217 193 1 . 1 1 40 40 LEU H H 40 8.427 8.427 7.864 0.563 19217 194 1 . 1 1 41 41 HIS N N 41 115.299 115.299 113.598 1.701 19217 195 1 . 1 1 41 41 HIS HA H 41 2.445 2.445 3.239 -0.794 19217 196 1 . 1 1 41 41 HIS CA C 41 53.723 53.723 56.479 -2.756 19217 197 1 . 1 1 41 41 HIS CB C 41 25.218 25.218 25.844 -0.626 19217 198 1 . 1 1 41 41 HIS H H 41 7.466 7.466 7.363 0.103 19217 199 1 . 1 1 42 42 CYS N N 42 116.999 116.999 111.332 5.667 19217 200 1 . 1 1 42 42 CYS HA H 42 5.064 5.064 4.983 0.081 19217 201 1 . 1 1 42 42 CYS CA C 42 53.833 53.833 56.143 -2.310 19217 202 1 . 1 1 42 42 CYS CB C 42 47.778 47.778 31.279 16.499 19217 203 1 . 1 1 42 42 CYS H H 42 8.205 8.205 7.730 0.475 19217 204 1 . 1 1 43 43 CYS N N 43 117.175 117.175 121.483 -4.308 19217 205 1 . 1 1 43 43 CYS HA H 43 5.142 5.142 5.105 0.037 19217 206 1 . 1 1 43 43 CYS CA C 43 54.441 54.441 58.270 -3.829 19217 207 1 . 1 1 43 43 CYS CB C 43 42.928 42.928 29.863 13.065 19217 208 1 . 1 1 43 43 CYS H H 43 9.131 9.131 8.391 0.740 19217 209 1 . 1 1 44 44 GLY N N 44 113.879 113.879 114.191 -0.312 19217 210 1 . 1 1 44 44 GLY CA C 44 43.550 43.550 45.559 -2.009 19217 211 1 . 1 1 44 44 GLY H H 44 8.913 8.913 8.643 0.270 19217 212 1 . 1 1 45 45 ALA N N 45 122.305 122.305 122.635 -0.330 19217 213 1 . 1 1 45 45 ALA HA H 45 4.524 4.524 4.217 0.307 19217 214 1 . 1 1 45 45 ALA CA C 45 53.824 53.824 55.086 -1.262 19217 215 1 . 1 1 45 45 ALA CB C 45 18.722 18.722 19.810 -1.088 19217 216 1 . 1 1 45 45 ALA H H 45 9.057 9.057 8.343 0.714 19217 217 1 . 1 1 46 46 ASP N N 46 119.678 119.678 114.363 5.315 19217 218 1 . 1 1 46 46 ASP HA H 46 4.613 4.613 4.831 -0.218 19217 219 1 . 1 1 46 46 ASP CA C 46 57.097 57.097 54.516 2.581 19217 220 1 . 1 1 46 46 ASP CB C 46 42.478 42.478 43.175 -0.697 19217 221 1 . 1 1 46 46 ASP H H 46 9.741 9.741 8.218 1.523 19217 222 1 . 1 1 47 47 SER N N 47 112.389 112.389 111.980 0.409 19217 223 1 . 1 1 47 47 SER HA H 47 4.654 4.654 4.846 -0.192 19217 224 1 . 1 1 47 47 SER CA C 47 57.626 57.626 56.569 1.057 19217 225 1 . 1 1 47 47 SER CB C 47 64.037 64.037 64.166 -0.129 19217 226 1 . 1 1 47 47 SER H H 47 7.798 7.798 7.533 0.265 19217 227 1 . 1 1 48 48 PRO HA H 48 4.145 4.145 4.502 -0.357 19217 228 1 . 1 1 48 48 PRO CA C 48 65.130 65.130 64.304 0.826 19217 229 1 . 1 1 48 48 PRO CB C 48 32.347 32.347 32.095 0.252 19217 230 1 . 1 1 49 49 LYS N N 49 115.074 115.074 117.074 -2.000 19217 231 1 . 1 1 49 49 LYS HA H 49 4.217 4.217 4.123 0.094 19217 232 1 . 1 1 49 49 LYS CA C 49 57.299 57.299 58.013 -0.714 19217 233 1 . 1 1 49 49 LYS CB C 49 30.913 30.913 31.117 -0.204 19217 234 1 . 1 1 49 49 LYS H H 49 8.151 8.151 8.140 0.011 19217 235 1 . 1 1 50 50 ASP N N 50 122.818 122.818 119.199 3.619 19217 236 1 . 1 1 50 50 ASP HA H 50 4.312 4.312 4.288 0.024 19217 237 1 . 1 1 50 50 ASP CA C 50 57.249 57.249 56.659 0.590 19217 238 1 . 1 1 50 50 ASP CB C 50 41.481 41.481 40.420 1.061 19217 239 1 . 1 1 50 50 ASP H H 50 8.149 8.149 7.684 0.465 19217 240 1 . 1 1 51 51 TYR N N 51 114.312 114.312 116.534 -2.222 19217 241 1 . 1 1 51 51 TYR HA H 51 4.376 4.376 4.340 0.036 19217 242 1 . 1 1 51 51 TYR CA C 51 58.836 58.836 59.369 -0.533 19217 243 1 . 1 1 51 51 TYR CB C 51 38.904 38.904 39.452 -0.548 19217 244 1 . 1 1 51 51 TYR H H 51 7.260 7.260 7.426 -0.166 19217 245 1 . 1 1 52 52 GLY N N 52 109.793 109.793 107.145 2.648 19217 246 1 . 1 1 52 52 GLY CA C 52 45.839 45.839 45.502 0.337 19217 247 1 . 1 1 52 52 GLY H H 52 7.967 7.967 7.590 0.377 19217 248 1 . 1 1 53 53 GLU N N 53 123.571 123.571 122.893 0.678 19217 249 1 . 1 1 53 53 GLU HA H 53 4.202 4.202 4.543 -0.341 19217 250 1 . 1 1 53 53 GLU CA C 53 57.105 57.105 56.158 0.947 19217 251 1 . 1 1 53 53 GLU CB C 53 30.020 30.020 29.887 0.133 19217 252 1 . 1 1 53 53 GLU H H 53 8.788 8.788 8.671 0.117 19217 253 1 . 1 1 54 54 ASN N N 54 115.160 115.160 118.472 -3.312 19217 254 1 . 1 1 54 54 ASN HA H 54 5.222 5.222 4.932 0.290 19217 255 1 . 1 1 54 54 ASN CA C 54 50.964 50.964 51.869 -0.905 19217 256 1 . 1 1 54 54 ASN CB C 54 40.400 40.400 38.905 1.495 19217 257 1 . 1 1 54 54 ASN H H 54 7.853 7.853 8.244 -0.391 19217 258 1 . 1 1 55 55 PRO HA H 55 4.045 4.045 4.249 -0.204 19217 259 1 . 1 1 55 55 PRO CA C 55 61.288 61.288 61.578 -0.290 19217 260 1 . 1 1 55 55 PRO CB C 55 30.671 30.671 31.292 -0.621 19217 261 1 . 1 1 56 56 PRO HA H 56 4.533 4.533 4.319 0.214 19217 262 1 . 1 1 56 56 PRO CA C 56 61.694 61.694 62.055 -0.361 19217 263 1 . 1 1 56 56 PRO CB C 56 33.457 33.457 32.310 1.147 19217 264 1 . 1 1 57 57 THR N N 57 116.449 116.449 114.853 1.596 19217 265 1 . 1 1 57 57 THR HA H 57 3.832 3.832 3.923 -0.091 19217 266 1 . 1 1 57 57 THR CA C 57 65.318 65.318 65.115 0.203 19217 267 1 . 1 1 57 57 THR CB C 57 68.433 68.433 68.583 -0.150 19217 268 1 . 1 1 57 57 THR H H 57 8.894 8.894 8.735 0.159 19217 269 1 . 1 1 58 58 SER N N 58 113.767 113.767 116.203 -2.436 19217 270 1 . 1 1 58 58 SER HA H 58 4.409 4.409 4.418 -0.009 19217 271 1 . 1 1 58 58 SER CA C 58 59.123 59.123 60.785 -1.662 19217 272 1 . 1 1 58 58 SER CB C 58 62.669 62.669 62.277 0.392 19217 273 1 . 1 1 58 58 SER H H 58 7.839 7.839 8.346 -0.507 19217 274 1 . 1 1 59 59 CYS N N 59 117.062 117.062 121.252 -4.190 19217 275 1 . 1 1 59 59 CYS HA H 59 4.782 4.782 4.521 0.261 19217 276 1 . 1 1 59 59 CYS CA C 59 60.912 60.912 59.679 1.233 19217 277 1 . 1 1 59 59 CYS CB C 59 45.817 45.817 26.383 19.434 19217 278 1 . 1 1 59 59 CYS H H 59 7.397 7.397 7.758 -0.362 19217 279 1 . 1 1 60 60 SER N N 60 112.368 112.368 112.305 0.063 19217 280 1 . 1 1 60 60 SER HA H 60 4.258 4.258 4.630 -0.372 19217 281 1 . 1 1 60 60 SER CA C 60 56.925 56.925 56.356 0.569 19217 282 1 . 1 1 60 60 SER CB C 60 67.049 67.049 66.116 0.933 19217 283 1 . 1 1 60 60 SER H H 60 7.486 7.486 7.276 0.210 19217 284 1 . 1 1 61 61 LYS N N 61 120.402 120.402 121.823 -1.421 19217 285 1 . 1 1 61 61 LYS HA H 61 4.391 4.391 4.550 -0.159 19217 286 1 . 1 1 61 61 LYS CA C 61 56.317 56.317 57.016 -0.699 19217 287 1 . 1 1 61 61 LYS CB C 61 35.944 35.944 34.991 0.953 19217 288 1 . 1 1 61 61 LYS H H 61 7.918 7.918 8.283 -0.365 19217 289 1 . 1 1 62 62 ASP N N 62 128.253 128.253 125.036 3.217 19217 290 1 . 1 1 62 62 ASP HA H 62 4.280 4.280 4.367 -0.087 19217 291 1 . 1 1 62 62 ASP CA C 62 55.699 55.699 55.087 0.612 19217 292 1 . 1 1 62 62 ASP CB C 62 39.522 39.522 40.000 -0.478 19217 293 1 . 1 1 62 62 ASP H H 62 9.517 9.517 8.925 0.591 19217 294 1 . 1 1 63 63 GLY N N 63 103.421 103.421 104.645 -1.224 19217 295 1 . 1 1 63 63 GLY CA C 63 45.202 45.202 45.232 -0.030 19217 296 1 . 1 1 63 63 GLY H H 63 8.597 8.597 8.369 0.228 19217 297 1 . 1 1 64 64 VAL N N 64 122.304 122.304 118.949 3.355 19217 298 1 . 1 1 64 64 VAL HA H 64 4.059 4.059 4.300 -0.241 19217 299 1 . 1 1 64 64 VAL CA C 64 61.642 61.642 60.269 1.373 19217 300 1 . 1 1 64 64 VAL CB C 64 33.283 33.283 35.025 -1.742 19217 301 1 . 1 1 64 64 VAL H H 64 7.630 7.630 7.175 0.455 19217 302 1 . 1 1 65 65 GLN N N 65 126.376 126.376 123.889 2.487 19217 303 1 . 1 1 65 65 GLN HA H 65 4.123 4.123 4.287 -0.164 19217 304 1 . 1 1 65 65 GLN CA C 65 54.984 54.984 54.260 0.724 19217 305 1 . 1 1 65 65 GLN CB C 65 30.137 30.137 30.973 -0.836 19217 306 1 . 1 1 65 65 GLN H H 65 8.366 8.366 8.390 -0.024 19217 307 1 . 1 1 66 66 PHE N N 66 126.770 126.770 126.003 0.767 19217 308 1 . 1 1 66 66 PHE HA H 66 4.925 4.925 4.550 0.375 19217 309 1 . 1 1 66 66 PHE CA C 66 55.442 55.442 57.025 -1.583 19217 310 1 . 1 1 66 66 PHE CB C 66 37.592 37.592 38.198 -0.606 19217 311 1 . 1 1 66 66 PHE H H 66 8.606 8.606 8.218 0.388 19217 312 1 . 1 1 67 67 THR N N 67 110.796 110.796 113.906 -3.110 19217 313 1 . 1 1 67 67 THR HA H 67 4.378 4.378 4.419 -0.041 19217 314 1 . 1 1 67 67 THR CA C 67 62.290 62.290 61.536 0.754 19217 315 1 . 1 1 67 67 THR CB C 67 69.730 69.730 69.186 0.544 19217 316 1 . 1 1 67 67 THR H H 67 8.105 8.105 8.486 -0.381 19217 317 1 . 1 1 68 68 GLU N N 68 122.415 122.415 121.176 1.239 19217 318 1 . 1 1 68 68 GLU HA H 68 4.636 4.636 4.646 -0.010 19217 319 1 . 1 1 68 68 GLU CA C 68 55.269 55.269 54.756 0.513 19217 320 1 . 1 1 68 68 GLU CB C 68 32.089 32.089 32.684 -0.594 19217 321 1 . 1 1 68 68 GLU H H 68 8.171 8.171 7.947 0.224 19217 322 1 . 1 1 69 69 GLY N N 69 109.155 109.155 108.059 1.096 19217 323 1 . 1 1 69 69 GLY CA C 69 44.361 44.361 44.607 -0.246 19217 324 1 . 1 1 69 69 GLY H H 69 8.870 8.870 8.568 0.302 19217 325 1 . 1 1 70 70 CYS N N 70 116.376 116.376 118.871 -2.495 19217 326 1 . 1 1 70 70 CYS HA H 70 4.445 4.445 4.645 -0.200 19217 327 1 . 1 1 70 70 CYS CA C 70 56.449 56.449 59.984 -3.535 19217 328 1 . 1 1 70 70 CYS CB C 70 41.791 41.791 28.356 13.435 19217 329 1 . 1 1 70 70 CYS H H 70 8.335 8.335 8.312 0.023 19217 330 1 . 1 1 71 71 ILE N N 71 121.812 121.812 121.065 0.747 19217 331 1 . 1 1 71 71 ILE HA H 71 3.519 3.519 3.562 -0.043 19217 332 1 . 1 1 71 71 ILE CA C 71 66.807 66.807 66.058 0.749 19217 333 1 . 1 1 71 71 ILE CB C 71 36.826 36.826 37.594 -0.768 19217 334 1 . 1 1 71 71 ILE H H 71 9.129 9.129 8.581 0.548 19217 335 1 . 1 1 72 72 LYS N N 72 121.424 121.424 118.277 3.147 19217 336 1 . 1 1 72 72 LYS HA H 72 4.015 4.015 4.120 -0.105 19217 337 1 . 1 1 72 72 LYS CA C 72 59.203 59.203 59.119 0.084 19217 338 1 . 1 1 72 72 LYS CB C 72 32.083 32.083 32.061 0.022 19217 339 1 . 1 1 72 72 LYS H H 72 8.179 8.179 8.388 -0.209 19217 340 1 . 1 1 73 73 LYS N N 73 115.131 115.131 120.049 -4.918 19217 341 1 . 1 1 73 73 LYS HA H 73 4.183 4.183 4.121 0.062 19217 342 1 . 1 1 73 73 LYS CA C 73 57.742 57.742 58.990 -1.248 19217 343 1 . 1 1 73 73 LYS CB C 73 32.182 32.182 32.180 0.002 19217 344 1 . 1 1 73 73 LYS H H 73 7.287 7.287 7.636 -0.349 19217 345 1 . 1 1 74 74 VAL N N 74 117.637 117.637 116.002 1.635 19217 346 1 . 1 1 74 74 VAL HA H 74 3.632 3.632 3.704 -0.072 19217 347 1 . 1 1 74 74 VAL CA C 74 65.939 65.939 66.278 -0.339 19217 348 1 . 1 1 74 74 VAL CB C 74 31.432 31.432 30.893 0.539 19217 349 1 . 1 1 74 74 VAL H H 74 8.398 8.398 8.497 -0.099 19217 350 1 . 1 1 75 75 SER N N 75 117.090 117.090 115.735 1.355 19217 351 1 . 1 1 75 75 SER HA H 75 4.144 4.144 4.154 -0.010 19217 352 1 . 1 1 75 75 SER CA C 75 61.816 61.816 61.403 0.413 19217 353 1 . 1 1 75 75 SER CB C 75 62.840 62.840 62.806 0.034 19217 354 1 . 1 1 75 75 SER H H 75 8.249 8.249 7.707 0.542 19217 355 1 . 1 1 76 76 ASP N N 76 121.102 121.102 122.773 -1.671 19217 356 1 . 1 1 76 76 ASP HA H 76 4.476 4.476 4.387 0.089 19217 357 1 . 1 1 76 76 ASP CA C 76 56.417 56.417 57.365 -0.948 19217 358 1 . 1 1 76 76 ASP CB C 76 40.436 40.436 40.863 -0.426 19217 359 1 . 1 1 76 76 ASP H H 76 8.240 8.240 7.698 0.542 19217 360 1 . 1 1 77 77 LEU N N 77 119.967 119.967 116.647 3.320 19217 361 1 . 1 1 77 77 LEU HA H 77 4.211 4.211 4.229 -0.019 19217 362 1 . 1 1 77 77 LEU CA C 77 56.660 56.660 57.556 -0.896 19217 363 1 . 1 1 77 77 LEU CB C 77 42.216 42.216 41.730 0.486 19217 364 1 . 1 1 77 77 LEU H H 77 7.728 7.728 7.633 0.095 19217 365 1 . 1 1 78 78 SER N N 78 113.729 113.729 115.007 -1.278 19217 366 1 . 1 1 78 78 SER HA H 78 4.379 4.379 4.254 0.125 19217 367 1 . 1 1 78 78 SER CA C 78 59.286 59.286 60.793 -1.507 19217 368 1 . 1 1 78 78 SER CB C 78 63.761 63.761 63.478 0.283 19217 369 1 . 1 1 78 78 SER H H 78 7.873 7.873 7.727 0.146 19217 370 1 . 1 1 79 79 LYS N N 79 121.616 121.616 119.720 1.896 19217 371 1 . 1 1 79 79 LYS HA H 79 4.288 4.288 4.288 0.000 19217 372 1 . 1 1 79 79 LYS CA C 79 56.416 56.416 56.235 0.181 19217 373 1 . 1 1 79 79 LYS CB C 79 32.842 32.842 32.700 0.142 19217 374 1 . 1 1 79 79 LYS H H 79 7.741 7.741 7.755 -0.014 19217 375 1 . 1 1 80 80 ALA N N 80 124.562 124.562 122.836 1.726 19217 376 1 . 1 1 80 80 ALA HA H 80 4.274 4.274 4.207 0.067 19217 377 1 . 1 1 80 80 ALA CA C 80 52.613 52.613 52.796 -0.183 19217 378 1 . 1 1 80 80 ALA CB C 80 19.270 19.270 19.569 -0.299 19217 379 1 . 1 1 80 80 ALA H H 80 8.044 8.044 7.423 0.621 19217 stop_ save_