data_19201 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19201 _Entry.PDB_ID 2M7Q 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 19201 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.479 -0.048 19201 2 1 1 . 1 1 2 2 PRO C C 2 176.542 176.542 175.731 0.811 19201 3 1 1 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.028 -0.060 19201 4 1 1 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.107 0.192 19201 5 1 1 . 1 1 3 3 HIS N N 3 119.528 119.528 117.109 2.419 19201 6 1 1 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.233 0.410 19201 7 1 1 . 1 1 3 3 HIS C C 3 174.598 174.598 173.698 0.900 19201 8 1 1 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.096 -0.370 19201 9 1 1 . 1 1 3 3 HIS CB C 3 29.495 29.495 29.540 -0.045 19201 10 1 1 . 1 1 3 3 HIS H H 3 8.651 8.651 7.736 0.915 19201 11 1 1 . 1 1 4 4 MET N N 4 122.541 122.541 122.234 0.307 19201 12 1 1 . 1 1 4 4 MET HA H 4 4.474 4.474 4.184 0.290 19201 13 1 1 . 1 1 4 4 MET C C 4 175.419 175.419 174.208 1.211 19201 14 1 1 . 1 1 4 4 MET CA C 4 55.207 55.207 55.419 -0.212 19201 15 1 1 . 1 1 4 4 MET CB C 4 33.158 33.158 32.727 0.431 19201 16 1 1 . 1 1 4 4 MET H H 4 8.403 8.403 8.302 0.101 19201 17 1 1 . 1 1 5 5 ASP N N 5 122.333 122.333 127.818 -5.485 19201 18 1 1 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.882 -0.257 19201 19 1 1 . 1 1 5 5 ASP C C 5 175.734 175.734 175.133 0.601 19201 20 1 1 . 1 1 5 5 ASP CA C 5 54.259 54.259 55.669 -1.410 19201 21 1 1 . 1 1 5 5 ASP CB C 5 41.323 41.323 40.434 0.888 19201 22 1 1 . 1 1 5 5 ASP H H 5 8.513 8.513 8.668 -0.155 19201 23 1 1 . 1 1 6 6 VAL N N 6 118.762 118.762 118.345 0.417 19201 24 1 1 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.559 -0.414 19201 25 1 1 . 1 1 6 6 VAL C C 6 175.686 175.686 175.813 -0.127 19201 26 1 1 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.550 0.305 19201 27 1 1 . 1 1 6 6 VAL CB C 6 32.997 32.997 32.558 0.439 19201 28 1 1 . 1 1 6 6 VAL H H 6 8.011 8.011 8.153 -0.142 19201 29 1 1 . 1 1 7 7 HIS N N 7 121.430 121.430 118.927 2.503 19201 30 1 1 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.721 -0.222 19201 31 1 1 . 1 1 7 7 HIS C C 7 174.456 174.456 174.522 -0.066 19201 32 1 1 . 1 1 7 7 HIS CA C 7 56.097 56.097 55.520 0.577 19201 33 1 1 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.078 0.546 19201 34 1 1 . 1 1 7 7 HIS H H 7 8.323 8.323 8.009 0.314 19201 35 1 1 . 1 1 8 8 LYS N N 8 122.591 122.591 121.560 1.031 19201 36 1 1 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.660 -0.339 19201 37 1 1 . 1 1 8 8 LYS C C 8 174.443 174.443 174.898 -0.455 19201 38 1 1 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.727 1.169 19201 39 1 1 . 1 1 8 8 LYS CB C 8 33.984 33.984 32.371 1.613 19201 40 1 1 . 1 1 8 8 LYS H H 8 8.515 8.515 7.940 0.575 19201 41 1 1 . 1 1 9 9 LYS N N 9 124.787 124.787 123.136 1.651 19201 42 1 1 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.512 -0.334 19201 43 1 1 . 1 1 9 9 LYS C C 9 176.374 176.374 176.836 -0.462 19201 44 1 1 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.663 -0.093 19201 45 1 1 . 1 1 9 9 LYS CB C 9 35.487 35.487 33.702 1.785 19201 46 1 1 . 1 1 9 9 LYS H H 9 8.383 8.383 8.487 -0.104 19201 47 1 1 . 1 1 10 10 CYS N N 10 129.698 129.698 126.064 3.634 19201 48 1 1 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.546 0.270 19201 49 1 1 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.194 0.766 19201 50 1 1 . 1 1 10 10 CYS CB C 10 30.731 30.731 26.968 3.764 19201 51 1 1 . 1 1 10 10 CYS H H 10 8.999 8.999 8.880 0.119 19201 52 1 1 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.409 0.173 19201 53 1 1 . 1 1 11 11 PRO C C 11 177.219 177.219 176.475 0.744 19201 54 1 1 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.266 -1.065 19201 55 1 1 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.580 0.741 19201 56 1 1 . 1 1 12 12 LEU N N 12 121.846 121.846 117.236 4.610 19201 57 1 1 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.463 -0.057 19201 58 1 1 . 1 1 12 12 LEU C C 12 176.492 176.492 177.757 -1.265 19201 59 1 1 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.561 -0.417 19201 60 1 1 . 1 1 12 12 LEU CB C 12 43.242 43.242 42.538 0.705 19201 61 1 1 . 1 1 12 12 LEU H H 12 9.347 9.347 8.122 1.225 19201 62 1 1 . 1 1 13 13 CYS N N 13 119.509 119.509 112.301 7.208 19201 63 1 1 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.680 0.261 19201 64 1 1 . 1 1 13 13 CYS C C 13 173.792 173.792 175.009 -1.217 19201 65 1 1 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.128 0.413 19201 66 1 1 . 1 1 13 13 CYS CB C 13 30.889 30.889 30.625 0.264 19201 67 1 1 . 1 1 13 13 CYS H H 13 7.879 7.879 8.001 -0.121 19201 68 1 1 . 1 1 14 14 GLU N N 14 114.443 114.443 119.850 -5.407 19201 69 1 1 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.027 0.137 19201 70 1 1 . 1 1 14 14 GLU C C 14 175.831 175.831 174.633 1.198 19201 71 1 1 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.118 0.281 19201 72 1 1 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.963 1.774 19201 73 1 1 . 1 1 14 14 GLU H H 14 8.112 8.112 8.617 -0.505 19201 74 1 1 . 1 1 15 15 LEU N N 15 124.338 124.338 121.268 3.070 19201 75 1 1 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.634 -0.766 19201 76 1 1 . 1 1 15 15 LEU C C 15 174.900 174.900 175.166 -0.266 19201 77 1 1 . 1 1 15 15 LEU CA C 15 57.105 57.105 52.937 4.168 19201 78 1 1 . 1 1 15 15 LEU CB C 15 43.170 43.170 44.428 -1.258 19201 79 1 1 . 1 1 15 15 LEU H H 15 8.403 8.403 8.164 0.239 19201 80 1 1 . 1 1 16 16 MET N N 16 121.138 121.138 125.031 -3.893 19201 81 1 1 . 1 1 16 16 MET HA H 16 4.964 4.964 4.961 0.003 19201 82 1 1 . 1 1 16 16 MET C C 16 175.457 175.457 175.977 -0.520 19201 83 1 1 . 1 1 16 16 MET CA C 16 53.699 53.699 54.328 -0.629 19201 84 1 1 . 1 1 16 16 MET CB C 16 34.779 34.779 32.974 1.805 19201 85 1 1 . 1 1 16 16 MET H H 16 7.738 7.738 8.368 -0.630 19201 86 1 1 . 1 1 17 17 PHE N N 17 122.417 122.417 124.740 -2.323 19201 87 1 1 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.013 -0.479 19201 88 1 1 . 1 1 17 17 PHE CA C 17 55.570 55.570 56.156 -0.586 19201 89 1 1 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.786 0.014 19201 90 1 1 . 1 1 17 17 PHE H H 17 8.868 8.868 9.204 -0.336 19201 91 1 1 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.364 -0.807 19201 92 1 1 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.317 1.279 19201 93 1 1 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.786 -0.721 19201 94 1 1 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.569 -0.348 19201 95 1 1 . 1 1 19 19 PRO C C 19 176.899 176.899 175.744 1.155 19201 96 1 1 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.828 0.345 19201 97 1 1 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.233 1.597 19201 98 1 1 . 1 1 20 20 ASN N N 20 113.731 113.731 117.098 -3.367 19201 99 1 1 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.719 -0.158 19201 100 1 1 . 1 1 20 20 ASN C C 20 174.737 174.737 175.260 -0.523 19201 101 1 1 . 1 1 20 20 ASN CA C 20 52.884 52.884 53.044 -0.160 19201 102 1 1 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.965 -2.694 19201 103 1 1 . 1 1 20 20 ASN H H 20 8.330 8.330 8.643 -0.313 19201 104 1 1 . 1 1 21 21 TYR N N 21 121.548 121.548 120.924 0.624 19201 105 1 1 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.666 -0.462 19201 106 1 1 . 1 1 21 21 TYR C C 21 174.916 174.916 174.621 0.295 19201 107 1 1 . 1 1 21 21 TYR CA C 21 58.941 58.941 56.945 1.996 19201 108 1 1 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.317 0.137 19201 109 1 1 . 1 1 21 21 TYR H H 21 7.666 7.666 8.100 -0.434 19201 110 1 1 . 1 1 22 22 ASP N N 22 126.191 126.191 122.017 4.174 19201 111 1 1 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.586 -0.322 19201 112 1 1 . 1 1 22 22 ASP C C 22 176.536 176.536 176.628 -0.092 19201 113 1 1 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.363 2.564 19201 114 1 1 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.310 -0.984 19201 115 1 1 . 1 1 22 22 ASP H H 22 7.832 7.832 8.440 -0.608 19201 116 1 1 . 1 1 23 23 GLN N N 23 127.794 127.794 122.881 4.913 19201 117 1 1 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.099 -0.109 19201 118 1 1 . 1 1 23 23 GLN C C 23 178.011 178.011 177.899 0.112 19201 119 1 1 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.299 -0.344 19201 120 1 1 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.745 -0.763 19201 121 1 1 . 1 1 23 23 GLN H H 23 8.891 8.891 8.788 0.103 19201 122 1 1 . 1 1 24 24 SER N N 24 115.542 115.542 113.852 1.690 19201 123 1 1 . 1 1 24 24 SER HA H 24 4.298 4.298 4.306 -0.008 19201 124 1 1 . 1 1 24 24 SER C C 24 177.419 177.419 176.212 1.207 19201 125 1 1 . 1 1 24 24 SER CA C 24 61.975 61.975 61.367 0.608 19201 126 1 1 . 1 1 24 24 SER CB C 24 61.975 61.975 62.992 -1.017 19201 127 1 1 . 1 1 24 24 SER H H 24 8.479 8.479 8.537 -0.058 19201 128 1 1 . 1 1 25 25 LYS N N 25 123.099 123.099 122.645 0.454 19201 129 1 1 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.451 -0.272 19201 130 1 1 . 1 1 25 25 LYS C C 25 180.064 180.064 178.883 1.181 19201 131 1 1 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.558 -0.253 19201 132 1 1 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.106 -0.435 19201 133 1 1 . 1 1 25 25 LYS H H 25 7.734 7.734 7.788 -0.054 19201 134 1 1 . 1 1 26 26 PHE N N 26 123.746 123.746 121.668 2.078 19201 135 1 1 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.925 -0.075 19201 136 1 1 . 1 1 26 26 PHE C C 26 176.469 176.469 176.866 -0.397 19201 137 1 1 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.102 0.657 19201 138 1 1 . 1 1 26 26 PHE CB C 26 39.163 39.163 39.155 0.008 19201 139 1 1 . 1 1 26 26 PHE H H 26 8.414 8.414 8.145 0.269 19201 140 1 1 . 1 1 27 27 GLU N N 27 118.957 118.957 118.804 0.153 19201 141 1 1 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.779 -0.038 19201 142 1 1 . 1 1 27 27 GLU C C 27 178.777 178.777 178.716 0.061 19201 143 1 1 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.552 0.065 19201 144 1 1 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.482 -0.800 19201 145 1 1 . 1 1 27 27 GLU H H 27 8.497 8.497 8.257 0.240 19201 146 1 1 . 1 1 28 28 GLU N N 28 118.812 118.812 118.184 0.628 19201 147 1 1 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.885 0.036 19201 148 1 1 . 1 1 28 28 GLU C C 28 179.241 179.241 177.888 1.353 19201 149 1 1 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.053 0.192 19201 150 1 1 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.071 0.688 19201 151 1 1 . 1 1 28 28 GLU H H 28 7.967 7.967 8.823 -0.856 19201 152 1 1 . 1 1 29 29 HIS N N 29 118.117 118.117 119.845 -1.728 19201 153 1 1 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.267 -0.124 19201 154 1 1 . 1 1 29 29 HIS C C 29 178.484 178.484 176.956 1.528 19201 155 1 1 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.135 2.220 19201 156 1 1 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.408 -3.347 19201 157 1 1 . 1 1 29 29 HIS H H 29 7.791 7.791 7.400 0.391 19201 158 1 1 . 1 1 30 30 VAL N N 30 122.416 122.416 118.814 3.602 19201 159 1 1 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.597 -0.189 19201 160 1 1 . 1 1 30 30 VAL C C 30 178.303 178.303 178.205 0.098 19201 161 1 1 . 1 1 30 30 VAL CA C 30 67.875 67.875 65.850 2.025 19201 162 1 1 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.131 0.636 19201 163 1 1 . 1 1 30 30 VAL H H 30 8.202 8.202 7.526 0.676 19201 164 1 1 . 1 1 31 31 GLU N N 31 115.746 115.746 119.141 -3.395 19201 165 1 1 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.098 1.627 19201 166 1 1 . 1 1 31 31 GLU C C 31 178.071 178.071 178.745 -0.674 19201 167 1 1 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.237 -0.210 19201 168 1 1 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.064 0.707 19201 169 1 1 . 1 1 31 31 GLU H H 31 7.969 7.969 8.378 -0.409 19201 170 1 1 . 1 1 32 32 SER N N 32 115.845 115.845 115.367 0.478 19201 171 1 1 . 1 1 32 32 SER HA H 32 4.223 4.223 4.230 -0.007 19201 172 1 1 . 1 1 32 32 SER C C 32 174.855 174.855 175.016 -0.161 19201 173 1 1 . 1 1 32 32 SER CA C 32 60.645 60.645 60.728 -0.083 19201 174 1 1 . 1 1 32 32 SER CB C 32 62.815 62.815 63.080 -0.265 19201 175 1 1 . 1 1 32 32 SER H H 32 7.584 7.584 7.344 0.240 19201 176 1 1 . 1 1 33 33 HIS N N 33 118.635 118.635 117.739 0.896 19201 177 1 1 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.574 -0.125 19201 178 1 1 . 1 1 33 33 HIS C C 33 175.524 175.524 175.673 -0.149 19201 179 1 1 . 1 1 33 33 HIS CA C 33 57.026 57.026 57.364 -0.338 19201 180 1 1 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.308 -1.005 19201 181 1 1 . 1 1 33 33 HIS H H 33 7.286 7.286 7.366 -0.080 19201 182 1 1 . 1 1 34 34 TRP N N 34 121.219 121.219 119.844 1.375 19201 183 1 1 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.814 -0.478 19201 184 1 1 . 1 1 34 34 TRP C C 34 175.644 175.644 176.843 -1.199 19201 185 1 1 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.070 3.254 19201 186 1 1 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.513 0.749 19201 187 1 1 . 1 1 34 34 TRP H H 34 7.949 7.949 7.358 0.591 19201 188 1 1 . 1 1 35 35 LYS N N 35 122.872 122.872 123.954 -1.082 19201 189 1 1 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.170 0.170 19201 190 1 1 . 1 1 35 35 LYS C C 35 175.286 175.286 175.703 -0.417 19201 191 1 1 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.478 1.128 19201 192 1 1 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.081 2.304 19201 193 1 1 . 1 1 35 35 LYS H H 35 8.581 8.581 8.717 -0.136 19201 194 1 1 . 1 1 36 36 VAL N N 36 122.386 122.386 124.985 -2.599 19201 195 1 1 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.717 0.214 19201 196 1 1 . 1 1 36 36 VAL C C 36 176.320 176.320 176.042 0.278 19201 197 1 1 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.318 0.037 19201 198 1 1 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.609 0.998 19201 199 1 1 . 1 1 36 36 VAL H H 36 8.313 8.313 8.373 -0.060 19201 200 1 1 . 1 1 37 37 CYS N N 37 130.378 130.378 129.449 0.929 19201 201 1 1 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.086 -0.182 19201 202 1 1 . 1 1 37 37 CYS CA C 37 57.460 57.460 55.573 1.887 19201 203 1 1 . 1 1 37 37 CYS CB C 37 30.638 30.638 27.686 2.951 19201 204 1 1 . 1 1 37 37 CYS H H 37 9.165 9.165 9.220 -0.055 19201 205 1 1 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.425 0.158 19201 206 1 1 . 1 1 38 38 PRO C C 38 176.933 176.933 176.522 0.411 19201 207 1 1 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.103 -0.883 19201 208 1 1 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.822 0.493 19201 209 1 1 . 1 1 39 39 MET N N 39 119.180 119.180 113.951 5.229 19201 210 1 1 . 1 1 39 39 MET HA H 39 4.534 4.534 4.564 -0.030 19201 211 1 1 . 1 1 39 39 MET C C 39 176.454 176.454 176.029 0.425 19201 212 1 1 . 1 1 39 39 MET CA C 39 55.971 55.971 55.650 0.321 19201 213 1 1 . 1 1 39 39 MET CB C 39 32.539 32.539 33.189 -0.650 19201 214 1 1 . 1 1 39 39 MET H H 39 9.054 9.054 7.561 1.493 19201 215 1 1 . 1 1 40 40 CYS N N 40 118.414 118.414 117.336 1.078 19201 216 1 1 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.658 0.365 19201 217 1 1 . 1 1 40 40 CYS C C 40 175.288 175.288 175.453 -0.165 19201 218 1 1 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.675 -0.105 19201 219 1 1 . 1 1 40 40 CYS CB C 40 31.701 31.701 29.588 2.113 19201 220 1 1 . 1 1 40 40 CYS H H 40 8.096 8.096 7.959 0.137 19201 221 1 1 . 1 1 41 41 SER N N 41 113.638 113.638 114.231 -0.593 19201 222 1 1 . 1 1 41 41 SER HA H 41 4.291 4.291 4.223 0.068 19201 223 1 1 . 1 1 41 41 SER C C 41 173.193 173.193 173.227 -0.034 19201 224 1 1 . 1 1 41 41 SER CA C 41 60.401 60.401 60.013 0.388 19201 225 1 1 . 1 1 41 41 SER CB C 41 62.177 62.177 61.454 0.723 19201 226 1 1 . 1 1 41 41 SER H H 41 7.916 7.916 8.721 -0.805 19201 227 1 1 . 1 1 42 42 GLU N N 42 124.849 124.849 120.471 4.378 19201 228 1 1 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.500 -0.581 19201 229 1 1 . 1 1 42 42 GLU C C 42 174.373 174.373 175.010 -0.637 19201 230 1 1 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.087 3.263 19201 231 1 1 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.433 -1.781 19201 232 1 1 . 1 1 42 42 GLU H H 42 8.483 8.483 7.850 0.633 19201 233 1 1 . 1 1 43 43 GLN N N 43 122.061 122.061 122.971 -0.910 19201 234 1 1 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.720 0.322 19201 235 1 1 . 1 1 43 43 GLN C C 43 175.251 175.251 175.156 0.095 19201 236 1 1 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.804 -0.410 19201 237 1 1 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.564 0.658 19201 238 1 1 . 1 1 43 43 GLN H H 43 8.047 8.047 8.724 -0.677 19201 239 1 1 . 1 1 44 44 PHE N N 44 122.827 122.827 124.360 -1.533 19201 240 1 1 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.647 0.031 19201 241 1 1 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.701 -0.707 19201 242 1 1 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.408 0.500 19201 243 1 1 . 1 1 44 44 PHE H H 44 9.312 9.312 8.949 0.363 19201 244 1 1 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.311 -0.780 19201 245 1 1 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.687 -0.476 19201 246 1 1 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.310 -0.421 19201 247 1 1 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.317 -0.153 19201 248 1 1 . 1 1 46 46 PRO C C 46 176.621 176.621 176.435 0.186 19201 249 1 1 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.152 -0.701 19201 250 1 1 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.861 0.029 19201 251 1 1 . 1 1 47 47 ASP N N 47 113.411 113.411 116.456 -3.045 19201 252 1 1 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.595 -0.119 19201 253 1 1 . 1 1 47 47 ASP C C 47 175.831 175.831 175.638 0.193 19201 254 1 1 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.168 -1.285 19201 255 1 1 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.639 -1.088 19201 256 1 1 . 1 1 47 47 ASP H H 47 8.028 8.028 8.217 -0.189 19201 257 1 1 . 1 1 48 48 TYR N N 48 122.527 122.527 120.948 1.579 19201 258 1 1 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.464 -0.261 19201 259 1 1 . 1 1 48 48 TYR C C 48 175.189 175.189 174.731 0.458 19201 260 1 1 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.772 0.037 19201 261 1 1 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.814 -0.507 19201 262 1 1 . 1 1 48 48 TYR H H 48 7.812 7.812 7.605 0.207 19201 263 1 1 . 1 1 49 49 ASP N N 49 125.426 125.426 124.938 0.488 19201 264 1 1 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.628 -0.319 19201 265 1 1 . 1 1 49 49 ASP C C 49 176.996 176.996 177.040 -0.044 19201 266 1 1 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.130 0.747 19201 267 1 1 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.686 -0.381 19201 268 1 1 . 1 1 49 49 ASP H H 49 8.012 8.012 8.130 -0.118 19201 269 1 1 . 1 1 50 50 GLN N N 50 126.958 126.958 126.399 0.559 19201 270 1 1 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.127 -0.138 19201 271 1 1 . 1 1 50 50 GLN C C 50 177.779 177.779 177.897 -0.118 19201 272 1 1 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.555 -0.637 19201 273 1 1 . 1 1 50 50 GLN CB C 50 28.258 28.258 29.065 -0.807 19201 274 1 1 . 1 1 50 50 GLN H H 50 8.873 8.873 8.931 -0.058 19201 275 1 1 . 1 1 51 51 GLN N N 51 117.767 117.767 118.628 -0.861 19201 276 1 1 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.335 -0.182 19201 277 1 1 . 1 1 51 51 GLN C C 51 179.003 179.003 178.119 0.884 19201 278 1 1 . 1 1 51 51 GLN CA C 51 59.130 59.130 59.068 0.062 19201 279 1 1 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.770 -0.400 19201 280 1 1 . 1 1 51 51 GLN H H 51 8.425 8.425 8.826 -0.401 19201 281 1 1 . 1 1 52 52 VAL N N 52 122.144 122.144 119.089 3.055 19201 282 1 1 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.749 -0.186 19201 283 1 1 . 1 1 52 52 VAL C C 52 179.252 179.252 178.203 1.049 19201 284 1 1 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.767 0.763 19201 285 1 1 . 1 1 52 52 VAL CB C 52 31.615 31.615 30.884 0.731 19201 286 1 1 . 1 1 52 52 VAL H H 52 7.864 7.864 7.612 0.252 19201 287 1 1 . 1 1 53 53 PHE N N 53 122.104 122.104 122.290 -0.186 19201 288 1 1 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.012 -0.236 19201 289 1 1 . 1 1 53 53 PHE C C 53 176.497 176.497 176.862 -0.365 19201 290 1 1 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.197 0.320 19201 291 1 1 . 1 1 53 53 PHE CB C 53 39.103 39.103 38.978 0.124 19201 292 1 1 . 1 1 53 53 PHE H H 53 8.291 8.291 8.511 -0.221 19201 293 1 1 . 1 1 54 54 GLU N N 54 118.755 118.755 119.871 -1.116 19201 294 1 1 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.647 0.043 19201 295 1 1 . 1 1 54 54 GLU C C 54 179.450 179.450 179.073 0.377 19201 296 1 1 . 1 1 54 54 GLU CA C 54 59.846 59.846 60.047 -0.201 19201 297 1 1 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.249 -0.288 19201 298 1 1 . 1 1 54 54 GLU H H 54 8.613 8.613 8.816 -0.203 19201 299 1 1 . 1 1 55 55 ARG N N 55 119.023 119.023 118.036 0.987 19201 300 1 1 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.012 -0.005 19201 301 1 1 . 1 1 55 55 ARG C C 55 178.908 178.908 178.865 0.043 19201 302 1 1 . 1 1 55 55 ARG CA C 55 59.150 59.150 59.420 -0.270 19201 303 1 1 . 1 1 55 55 ARG CB C 55 29.846 29.846 30.148 -0.302 19201 304 1 1 . 1 1 55 55 ARG H H 55 8.006 8.006 8.293 -0.287 19201 305 1 1 . 1 1 56 56 HIS N N 56 119.517 119.517 119.763 -0.246 19201 306 1 1 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.358 -0.246 19201 307 1 1 . 1 1 56 56 HIS C C 56 178.078 178.078 177.825 0.253 19201 308 1 1 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.415 0.942 19201 309 1 1 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.513 -2.696 19201 310 1 1 . 1 1 56 56 HIS H H 56 7.921 7.921 7.540 0.381 19201 311 1 1 . 1 1 57 57 VAL N N 57 121.280 121.280 120.881 0.399 19201 312 1 1 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.383 0.061 19201 313 1 1 . 1 1 57 57 VAL C C 57 177.845 177.845 178.290 -0.445 19201 314 1 1 . 1 1 57 57 VAL CA C 57 67.388 67.388 66.140 1.248 19201 315 1 1 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.366 0.383 19201 316 1 1 . 1 1 57 57 VAL H H 57 8.131 8.131 8.131 -0.000 19201 317 1 1 . 1 1 58 58 GLN N N 58 115.274 115.274 117.241 -1.967 19201 318 1 1 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.265 -0.267 19201 319 1 1 . 1 1 58 58 GLN C C 58 178.690 178.690 178.304 0.386 19201 320 1 1 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.599 -0.648 19201 321 1 1 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.213 0.047 19201 322 1 1 . 1 1 58 58 GLN H H 58 7.745 7.745 8.493 -0.748 19201 323 1 1 . 1 1 59 59 THR N N 59 112.271 112.271 111.578 0.693 19201 324 1 1 . 1 1 59 59 THR HA H 59 4.078 4.078 4.093 -0.015 19201 325 1 1 . 1 1 59 59 THR C C 59 176.280 176.280 176.191 0.089 19201 326 1 1 . 1 1 59 59 THR CA C 59 65.185 65.185 65.648 -0.463 19201 327 1 1 . 1 1 59 59 THR CB C 59 69.186 69.186 68.421 0.765 19201 328 1 1 . 1 1 59 59 THR H H 59 7.658 7.658 7.819 -0.161 19201 329 1 1 . 1 1 60 60 HIS N N 60 117.387 117.387 119.890 -2.503 19201 330 1 1 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.302 0.060 19201 331 1 1 . 1 1 60 60 HIS C C 60 175.307 175.307 176.809 -1.502 19201 332 1 1 . 1 1 60 60 HIS CA C 60 57.055 57.055 59.288 -2.233 19201 333 1 1 . 1 1 60 60 HIS CB C 60 28.186 28.186 30.052 -1.866 19201 334 1 1 . 1 1 60 60 HIS H H 60 7.226 7.226 7.657 -0.431 19201 335 1 1 . 1 1 61 61 PHE N N 61 118.105 118.105 118.194 -0.089 19201 336 1 1 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.558 0.089 19201 337 1 1 . 1 1 61 61 PHE C C 61 175.798 175.798 177.308 -1.510 19201 338 1 1 . 1 1 61 61 PHE CA C 61 57.751 57.751 59.949 -2.198 19201 339 1 1 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.219 0.350 19201 340 1 1 . 1 1 61 61 PHE H H 61 7.601 7.601 7.620 -0.019 19201 341 1 1 . 1 1 62 62 ASP N N 62 120.979 120.979 119.938 1.041 19201 342 1 1 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.483 0.094 19201 343 1 1 . 1 1 62 62 ASP C C 62 176.531 176.531 176.913 -0.382 19201 344 1 1 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.035 -1.147 19201 345 1 1 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.308 -0.098 19201 346 1 1 . 1 1 62 62 ASP H H 62 8.021 8.021 8.403 -0.382 19201 347 1 1 . 1 1 63 63 GLN N N 63 120.043 120.043 113.066 6.977 19201 348 1 1 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.831 0.440 19201 349 1 1 . 1 1 63 63 GLN C C 63 175.955 175.955 175.933 0.022 19201 350 1 1 . 1 1 63 63 GLN CA C 63 56.147 56.147 56.294 -0.147 19201 351 1 1 . 1 1 63 63 GLN CB C 63 29.184 29.184 25.354 3.830 19201 352 1 1 . 1 1 63 63 GLN H H 63 8.274 8.274 7.784 0.490 19201 353 1 1 . 1 1 64 64 ASN N N 64 119.150 119.150 119.209 -0.059 19201 354 1 1 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.432 0.236 19201 355 1 1 . 1 1 64 64 ASN C C 64 175.159 175.159 176.819 -1.660 19201 356 1 1 . 1 1 64 64 ASN CA C 64 53.645 53.645 56.625 -2.980 19201 357 1 1 . 1 1 64 64 ASN CB C 64 38.855 38.855 38.879 -0.024 19201 358 1 1 . 1 1 64 64 ASN H H 64 8.406 8.406 8.255 0.151 19201 359 1 1 . 1 1 65 65 VAL N N 65 119.684 119.684 112.975 6.709 19201 360 1 1 . 1 1 65 65 VAL HA H 65 4.039 4.039 4.079 -0.040 19201 361 1 1 . 1 1 65 65 VAL C C 65 175.835 175.835 176.216 -0.381 19201 362 1 1 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.739 -1.216 19201 363 1 1 . 1 1 65 65 VAL CB C 65 32.584 32.584 31.110 1.474 19201 364 1 1 . 1 1 65 65 VAL H H 65 7.904 7.904 7.650 0.254 19201 365 1 1 . 1 1 66 66 LEU N N 66 124.819 124.819 119.657 5.162 19201 366 1 1 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.651 -0.384 19201 367 1 1 . 1 1 66 66 LEU C C 66 176.316 176.316 176.822 -0.506 19201 368 1 1 . 1 1 66 66 LEU CA C 66 54.899 54.899 54.048 0.851 19201 369 1 1 . 1 1 66 66 LEU CB C 66 42.404 42.404 41.767 0.636 19201 370 1 1 . 1 1 66 66 LEU H H 66 8.115 8.115 7.616 0.499 19201 371 1 1 . 1 1 67 67 ASN N N 67 119.012 119.012 119.993 -0.981 19201 372 1 1 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.629 0.006 19201 373 1 1 . 1 1 67 67 ASN C C 67 174.316 174.316 176.557 -2.241 19201 374 1 1 . 1 1 67 67 ASN CA C 67 52.964 52.964 55.195 -2.231 19201 375 1 1 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.004 0.572 19201 376 1 1 . 1 1 67 67 ASN H H 67 8.057 8.057 7.796 0.261 19201 377 1 1 . 1 1 68 68 PHE N N 68 121.187 121.187 118.985 2.202 19201 378 1 1 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.401 0.253 19201 379 1 1 . 1 1 68 68 PHE C C 68 174.610 174.610 175.289 -0.679 19201 380 1 1 . 1 1 68 68 PHE CA C 68 57.397 57.397 59.272 -1.875 19201 381 1 1 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.483 0.241 19201 382 1 1 . 1 1 68 68 PHE H H 68 8.208 8.208 8.473 -0.265 19201 383 1 2 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.718 -0.287 19201 384 1 2 . 1 1 2 2 PRO C C 2 176.542 176.542 175.933 0.609 19201 385 1 2 . 1 1 2 2 PRO CA C 2 62.968 62.968 62.562 0.406 19201 386 1 2 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.611 -0.312 19201 387 1 2 . 1 1 3 3 HIS N N 3 119.528 119.528 123.732 -4.204 19201 388 1 2 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.508 0.135 19201 389 1 2 . 1 1 3 3 HIS C C 3 174.598 174.598 175.585 -0.987 19201 390 1 2 . 1 1 3 3 HIS CA C 3 55.726 55.726 57.416 -1.690 19201 391 1 2 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.324 -0.829 19201 392 1 2 . 1 1 3 3 HIS H H 3 8.651 8.651 9.027 -0.376 19201 393 1 2 . 1 1 4 4 MET N N 4 122.541 122.541 119.627 2.914 19201 394 1 2 . 1 1 4 4 MET HA H 4 4.474 4.474 4.582 -0.108 19201 395 1 2 . 1 1 4 4 MET C C 4 175.419 175.419 174.402 1.017 19201 396 1 2 . 1 1 4 4 MET CA C 4 55.207 55.207 54.567 0.640 19201 397 1 2 . 1 1 4 4 MET CB C 4 33.158 33.158 32.995 0.164 19201 398 1 2 . 1 1 4 4 MET H H 4 8.403 8.403 7.973 0.430 19201 399 1 2 . 1 1 5 5 ASP N N 5 122.333 122.333 122.048 0.285 19201 400 1 2 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.506 0.119 19201 401 1 2 . 1 1 5 5 ASP C C 5 175.734 175.734 174.899 0.835 19201 402 1 2 . 1 1 5 5 ASP CA C 5 54.259 54.259 54.790 -0.531 19201 403 1 2 . 1 1 5 5 ASP CB C 5 41.323 41.323 40.458 0.865 19201 404 1 2 . 1 1 5 5 ASP H H 5 8.513 8.513 8.149 0.364 19201 405 1 2 . 1 1 6 6 VAL N N 6 118.762 118.762 122.675 -3.913 19201 406 1 2 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.350 -0.205 19201 407 1 2 . 1 1 6 6 VAL C C 6 175.686 175.686 175.688 -0.002 19201 408 1 2 . 1 1 6 6 VAL CA C 6 61.855 61.855 62.173 -0.318 19201 409 1 2 . 1 1 6 6 VAL CB C 6 32.997 32.997 34.248 -1.251 19201 410 1 2 . 1 1 6 6 VAL H H 6 8.011 8.011 7.832 0.179 19201 411 1 2 . 1 1 7 7 HIS N N 7 121.430 121.430 128.120 -6.690 19201 412 1 2 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.506 -0.007 19201 413 1 2 . 1 1 7 7 HIS C C 7 174.456 174.456 174.605 -0.149 19201 414 1 2 . 1 1 7 7 HIS CA C 7 56.097 56.097 56.454 -0.357 19201 415 1 2 . 1 1 7 7 HIS CB C 7 30.624 30.624 28.285 2.339 19201 416 1 2 . 1 1 7 7 HIS H H 7 8.323 8.323 8.625 -0.302 19201 417 1 2 . 1 1 8 8 LYS N N 8 122.591 122.591 121.966 0.625 19201 418 1 2 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.576 -0.255 19201 419 1 2 . 1 1 8 8 LYS C C 8 174.443 174.443 175.001 -0.558 19201 420 1 2 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.912 0.984 19201 421 1 2 . 1 1 8 8 LYS CB C 8 33.984 33.984 31.327 2.657 19201 422 1 2 . 1 1 8 8 LYS H H 8 8.515 8.515 7.960 0.555 19201 423 1 2 . 1 1 9 9 LYS N N 9 124.787 124.787 122.158 2.629 19201 424 1 2 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.034 0.144 19201 425 1 2 . 1 1 9 9 LYS C C 9 176.374 176.374 176.832 -0.458 19201 426 1 2 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.692 -0.122 19201 427 1 2 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.823 0.664 19201 428 1 2 . 1 1 9 9 LYS H H 9 8.383 8.383 8.043 0.340 19201 429 1 2 . 1 1 10 10 CYS N N 10 129.698 129.698 125.646 4.052 19201 430 1 2 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.703 0.113 19201 431 1 2 . 1 1 10 10 CYS CA C 10 57.960 57.960 56.650 1.310 19201 432 1 2 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.048 3.683 19201 433 1 2 . 1 1 10 10 CYS H H 10 8.999 8.999 8.864 0.135 19201 434 1 2 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.340 0.242 19201 435 1 2 . 1 1 11 11 PRO C C 11 177.219 177.219 176.756 0.463 19201 436 1 2 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.186 -0.985 19201 437 1 2 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.704 0.616 19201 438 1 2 . 1 1 12 12 LEU N N 12 121.846 121.846 116.661 5.185 19201 439 1 2 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.304 0.102 19201 440 1 2 . 1 1 12 12 LEU C C 12 176.492 176.492 178.423 -1.931 19201 441 1 2 . 1 1 12 12 LEU CA C 12 55.144 55.144 56.450 -1.306 19201 442 1 2 . 1 1 12 12 LEU CB C 12 43.242 43.242 41.947 1.295 19201 443 1 2 . 1 1 12 12 LEU H H 12 9.347 9.347 8.040 1.307 19201 444 1 2 . 1 1 13 13 CYS N N 13 119.509 119.509 113.058 6.451 19201 445 1 2 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.770 0.171 19201 446 1 2 . 1 1 13 13 CYS C C 13 173.792 173.792 175.633 -1.841 19201 447 1 2 . 1 1 13 13 CYS CA C 13 58.541 58.541 57.900 0.641 19201 448 1 2 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.947 0.942 19201 449 1 2 . 1 1 13 13 CYS H H 13 7.879 7.879 7.827 0.052 19201 450 1 2 . 1 1 14 14 GLU N N 14 114.443 114.443 117.879 -3.436 19201 451 1 2 . 1 1 14 14 GLU HA H 14 4.164 4.164 3.988 0.176 19201 452 1 2 . 1 1 14 14 GLU C C 14 175.831 175.831 175.393 0.438 19201 453 1 2 . 1 1 14 14 GLU CA C 14 57.399 57.399 56.943 0.456 19201 454 1 2 . 1 1 14 14 GLU CB C 14 28.737 28.737 27.466 1.271 19201 455 1 2 . 1 1 14 14 GLU H H 14 8.112 8.112 8.709 -0.597 19201 456 1 2 . 1 1 15 15 LEU N N 15 124.338 124.338 121.242 3.096 19201 457 1 2 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.106 -0.238 19201 458 1 2 . 1 1 15 15 LEU C C 15 174.900 174.900 175.680 -0.780 19201 459 1 2 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.878 1.227 19201 460 1 2 . 1 1 15 15 LEU CB C 15 43.170 43.170 42.782 0.388 19201 461 1 2 . 1 1 15 15 LEU H H 15 8.403 8.403 7.300 1.103 19201 462 1 2 . 1 1 16 16 MET N N 16 121.138 121.138 123.053 -1.915 19201 463 1 2 . 1 1 16 16 MET HA H 16 4.964 4.964 4.880 0.084 19201 464 1 2 . 1 1 16 16 MET C C 16 175.457 175.457 175.673 -0.216 19201 465 1 2 . 1 1 16 16 MET CA C 16 53.699 53.699 55.112 -1.413 19201 466 1 2 . 1 1 16 16 MET CB C 16 34.779 34.779 34.337 0.442 19201 467 1 2 . 1 1 16 16 MET H H 16 7.738 7.738 7.868 -0.130 19201 468 1 2 . 1 1 17 17 PHE N N 17 122.417 122.417 121.267 1.150 19201 469 1 2 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.037 -0.502 19201 470 1 2 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.090 0.480 19201 471 1 2 . 1 1 17 17 PHE CB C 17 39.801 39.801 40.092 -0.291 19201 472 1 2 . 1 1 17 17 PHE H H 17 8.868 8.868 8.206 0.662 19201 473 1 2 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.055 -0.498 19201 474 1 2 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.806 0.791 19201 475 1 2 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.615 -0.550 19201 476 1 2 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.415 -0.194 19201 477 1 2 . 1 1 19 19 PRO C C 19 176.899 176.899 176.413 0.486 19201 478 1 2 . 1 1 19 19 PRO CA C 19 64.173 64.173 64.307 -0.134 19201 479 1 2 . 1 1 19 19 PRO CB C 19 31.830 31.830 31.413 0.416 19201 480 1 2 . 1 1 20 20 ASN N N 20 113.731 113.731 114.722 -0.991 19201 481 1 2 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.764 -0.203 19201 482 1 2 . 1 1 20 20 ASN C C 20 174.737 174.737 175.239 -0.502 19201 483 1 2 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.940 -0.056 19201 484 1 2 . 1 1 20 20 ASN CB C 20 37.271 37.271 38.393 -1.122 19201 485 1 2 . 1 1 20 20 ASN H H 20 8.330 8.330 8.239 0.091 19201 486 1 2 . 1 1 21 21 TYR N N 21 121.548 121.548 120.550 0.998 19201 487 1 2 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.577 -0.373 19201 488 1 2 . 1 1 21 21 TYR C C 21 174.916 174.916 174.658 0.258 19201 489 1 2 . 1 1 21 21 TYR CA C 21 58.941 58.941 56.990 1.951 19201 490 1 2 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.329 0.125 19201 491 1 2 . 1 1 21 21 TYR H H 21 7.666 7.666 7.874 -0.208 19201 492 1 2 . 1 1 22 22 ASP N N 22 126.191 126.191 121.748 4.443 19201 493 1 2 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.579 -0.315 19201 494 1 2 . 1 1 22 22 ASP C C 22 176.536 176.536 176.540 -0.004 19201 495 1 2 . 1 1 22 22 ASP CA C 22 54.927 54.927 53.010 1.917 19201 496 1 2 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.030 -0.703 19201 497 1 2 . 1 1 22 22 ASP H H 22 7.832 7.832 8.393 -0.561 19201 498 1 2 . 1 1 23 23 GLN N N 23 127.794 127.794 123.893 3.901 19201 499 1 2 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.041 -0.051 19201 500 1 2 . 1 1 23 23 GLN C C 23 178.011 178.011 178.197 -0.186 19201 501 1 2 . 1 1 23 23 GLN CA C 23 58.955 58.955 58.983 -0.028 19201 502 1 2 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.652 -0.670 19201 503 1 2 . 1 1 23 23 GLN H H 23 8.891 8.891 8.790 0.101 19201 504 1 2 . 1 1 24 24 SER N N 24 115.542 115.542 113.704 1.838 19201 505 1 2 . 1 1 24 24 SER HA H 24 4.298 4.298 4.634 -0.336 19201 506 1 2 . 1 1 24 24 SER C C 24 177.419 177.419 176.166 1.253 19201 507 1 2 . 1 1 24 24 SER CA C 24 61.975 61.975 61.396 0.579 19201 508 1 2 . 1 1 24 24 SER CB C 24 61.975 61.975 63.106 -1.131 19201 509 1 2 . 1 1 24 24 SER H H 24 8.479 8.479 9.028 -0.549 19201 510 1 2 . 1 1 25 25 LYS N N 25 123.099 123.099 122.285 0.814 19201 511 1 2 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.291 -0.112 19201 512 1 2 . 1 1 25 25 LYS C C 25 180.064 180.064 178.591 1.473 19201 513 1 2 . 1 1 25 25 LYS CA C 25 58.305 58.305 57.764 0.541 19201 514 1 2 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.732 -0.061 19201 515 1 2 . 1 1 25 25 LYS H H 25 7.734 7.734 7.700 0.034 19201 516 1 2 . 1 1 26 26 PHE N N 26 123.746 123.746 120.841 2.905 19201 517 1 2 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.793 0.057 19201 518 1 2 . 1 1 26 26 PHE C C 26 176.469 176.469 176.628 -0.159 19201 519 1 2 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.441 0.318 19201 520 1 2 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.957 0.206 19201 521 1 2 . 1 1 26 26 PHE H H 26 8.414 8.414 8.258 0.156 19201 522 1 2 . 1 1 27 27 GLU N N 27 118.957 118.957 118.356 0.601 19201 523 1 2 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.751 -0.010 19201 524 1 2 . 1 1 27 27 GLU C C 27 178.777 178.777 178.748 0.029 19201 525 1 2 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.553 0.063 19201 526 1 2 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.203 -0.521 19201 527 1 2 . 1 1 27 27 GLU H H 27 8.497 8.497 7.781 0.716 19201 528 1 2 . 1 1 28 28 GLU N N 28 118.812 118.812 118.054 0.758 19201 529 1 2 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.880 0.041 19201 530 1 2 . 1 1 28 28 GLU C C 28 179.241 179.241 177.878 1.363 19201 531 1 2 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.221 0.024 19201 532 1 2 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.476 0.284 19201 533 1 2 . 1 1 28 28 GLU H H 28 7.967 7.967 7.722 0.245 19201 534 1 2 . 1 1 29 29 HIS N N 29 118.117 118.117 119.610 -1.493 19201 535 1 2 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.210 -0.067 19201 536 1 2 . 1 1 29 29 HIS C C 29 178.484 178.484 177.222 1.262 19201 537 1 2 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.479 1.876 19201 538 1 2 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.004 -2.943 19201 539 1 2 . 1 1 29 29 HIS H H 29 7.791 7.791 7.238 0.553 19201 540 1 2 . 1 1 30 30 VAL N N 30 122.416 122.416 119.182 3.234 19201 541 1 2 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.490 -0.082 19201 542 1 2 . 1 1 30 30 VAL C C 30 178.303 178.303 177.366 0.937 19201 543 1 2 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.569 1.306 19201 544 1 2 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.515 0.252 19201 545 1 2 . 1 1 30 30 VAL H H 30 8.202 8.202 7.571 0.631 19201 546 1 2 . 1 1 31 31 GLU N N 31 115.746 115.746 118.959 -3.213 19201 547 1 2 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.896 0.829 19201 548 1 2 . 1 1 31 31 GLU C C 31 178.071 178.071 177.582 0.489 19201 549 1 2 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.507 -0.480 19201 550 1 2 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.568 0.203 19201 551 1 2 . 1 1 31 31 GLU H H 31 7.969 7.969 8.181 -0.212 19201 552 1 2 . 1 1 32 32 SER N N 32 115.845 115.845 113.681 2.164 19201 553 1 2 . 1 1 32 32 SER HA H 32 4.223 4.223 4.321 -0.098 19201 554 1 2 . 1 1 32 32 SER C C 32 174.855 174.855 174.619 0.236 19201 555 1 2 . 1 1 32 32 SER CA C 32 60.645 60.645 60.437 0.208 19201 556 1 2 . 1 1 32 32 SER CB C 32 62.815 62.815 63.356 -0.541 19201 557 1 2 . 1 1 32 32 SER H H 32 7.584 7.584 7.220 0.364 19201 558 1 2 . 1 1 33 33 HIS N N 33 118.635 118.635 119.711 -1.076 19201 559 1 2 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.613 -0.164 19201 560 1 2 . 1 1 33 33 HIS C C 33 175.524 175.524 176.114 -0.590 19201 561 1 2 . 1 1 33 33 HIS CA C 33 57.026 57.026 57.581 -0.555 19201 562 1 2 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.507 -1.204 19201 563 1 2 . 1 1 33 33 HIS H H 33 7.286 7.286 7.441 -0.155 19201 564 1 2 . 1 1 34 34 TRP N N 34 121.219 121.219 120.008 1.211 19201 565 1 2 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.666 -0.330 19201 566 1 2 . 1 1 34 34 TRP C C 34 175.644 175.644 176.758 -1.114 19201 567 1 2 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.836 2.488 19201 568 1 2 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.144 1.118 19201 569 1 2 . 1 1 34 34 TRP H H 34 7.949 7.949 7.534 0.415 19201 570 1 2 . 1 1 35 35 LYS N N 35 122.872 122.872 124.160 -1.288 19201 571 1 2 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.040 0.300 19201 572 1 2 . 1 1 35 35 LYS C C 35 175.286 175.286 175.804 -0.518 19201 573 1 2 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.717 0.889 19201 574 1 2 . 1 1 35 35 LYS CB C 35 33.385 33.385 30.695 2.689 19201 575 1 2 . 1 1 35 35 LYS H H 35 8.581 8.581 8.548 0.033 19201 576 1 2 . 1 1 36 36 VAL N N 36 122.386 122.386 124.837 -2.451 19201 577 1 2 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.801 0.130 19201 578 1 2 . 1 1 36 36 VAL C C 36 176.320 176.320 175.963 0.357 19201 579 1 2 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.258 0.097 19201 580 1 2 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.652 0.955 19201 581 1 2 . 1 1 36 36 VAL H H 36 8.313 8.313 8.289 0.024 19201 582 1 2 . 1 1 37 37 CYS N N 37 130.378 130.378 129.262 1.116 19201 583 1 2 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.053 -0.149 19201 584 1 2 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.082 1.378 19201 585 1 2 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.658 1.980 19201 586 1 2 . 1 1 37 37 CYS H H 37 9.165 9.165 9.258 -0.093 19201 587 1 2 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.414 0.169 19201 588 1 2 . 1 1 38 38 PRO C C 38 176.933 176.933 176.635 0.298 19201 589 1 2 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.393 -1.173 19201 590 1 2 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.855 0.460 19201 591 1 2 . 1 1 39 39 MET N N 39 119.180 119.180 113.901 5.279 19201 592 1 2 . 1 1 39 39 MET HA H 39 4.534 4.534 4.604 -0.070 19201 593 1 2 . 1 1 39 39 MET C C 39 176.454 176.454 176.015 0.439 19201 594 1 2 . 1 1 39 39 MET CA C 39 55.971 55.971 55.868 0.103 19201 595 1 2 . 1 1 39 39 MET CB C 39 32.539 32.539 33.421 -0.882 19201 596 1 2 . 1 1 39 39 MET H H 39 9.054 9.054 7.766 1.288 19201 597 1 2 . 1 1 40 40 CYS N N 40 118.414 118.414 117.246 1.168 19201 598 1 2 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.672 0.351 19201 599 1 2 . 1 1 40 40 CYS C C 40 175.288 175.288 175.340 -0.052 19201 600 1 2 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.429 0.141 19201 601 1 2 . 1 1 40 40 CYS CB C 40 31.701 31.701 29.218 2.483 19201 602 1 2 . 1 1 40 40 CYS H H 40 8.096 8.096 7.735 0.361 19201 603 1 2 . 1 1 41 41 SER N N 41 113.638 113.638 113.826 -0.188 19201 604 1 2 . 1 1 41 41 SER HA H 41 4.291 4.291 4.199 0.092 19201 605 1 2 . 1 1 41 41 SER C C 41 173.193 173.193 173.114 0.079 19201 606 1 2 . 1 1 41 41 SER CA C 41 60.401 60.401 59.789 0.612 19201 607 1 2 . 1 1 41 41 SER CB C 41 62.177 62.177 61.664 0.513 19201 608 1 2 . 1 1 41 41 SER H H 41 7.916 7.916 8.642 -0.726 19201 609 1 2 . 1 1 42 42 GLU N N 42 124.849 124.849 119.911 4.938 19201 610 1 2 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.538 -0.619 19201 611 1 2 . 1 1 42 42 GLU C C 42 174.373 174.373 175.047 -0.674 19201 612 1 2 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.070 3.280 19201 613 1 2 . 1 1 42 42 GLU CB C 42 29.652 29.652 32.044 -2.392 19201 614 1 2 . 1 1 42 42 GLU H H 42 8.483 8.483 7.845 0.638 19201 615 1 2 . 1 1 43 43 GLN N N 43 122.061 122.061 122.644 -0.583 19201 616 1 2 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.749 0.293 19201 617 1 2 . 1 1 43 43 GLN C C 43 175.251 175.251 175.210 0.041 19201 618 1 2 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.694 -0.300 19201 619 1 2 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.605 0.617 19201 620 1 2 . 1 1 43 43 GLN H H 43 8.047 8.047 8.694 -0.647 19201 621 1 2 . 1 1 44 44 PHE N N 44 122.827 122.827 124.358 -1.531 19201 622 1 2 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.671 0.007 19201 623 1 2 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.816 -0.822 19201 624 1 2 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.260 0.648 19201 625 1 2 . 1 1 44 44 PHE H H 44 9.312 9.312 8.921 0.391 19201 626 1 2 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.316 -0.785 19201 627 1 2 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.261 -0.050 19201 628 1 2 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.424 -0.534 19201 629 1 2 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.354 -0.190 19201 630 1 2 . 1 1 46 46 PRO C C 46 176.621 176.621 176.317 0.304 19201 631 1 2 . 1 1 46 46 PRO CA C 46 64.451 64.451 64.484 -0.033 19201 632 1 2 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.845 0.045 19201 633 1 2 . 1 1 47 47 ASP N N 47 113.411 113.411 116.818 -3.407 19201 634 1 2 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.607 -0.131 19201 635 1 2 . 1 1 47 47 ASP C C 47 175.831 175.831 175.851 -0.020 19201 636 1 2 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.535 -1.652 19201 637 1 2 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.629 -1.078 19201 638 1 2 . 1 1 47 47 ASP H H 47 8.028 8.028 8.369 -0.341 19201 639 1 2 . 1 1 48 48 TYR N N 48 122.527 122.527 120.166 2.361 19201 640 1 2 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.602 -0.399 19201 641 1 2 . 1 1 48 48 TYR C C 48 175.189 175.189 174.882 0.307 19201 642 1 2 . 1 1 48 48 TYR CA C 48 58.809 58.809 57.452 1.357 19201 643 1 2 . 1 1 48 48 TYR CB C 48 39.307 39.307 40.884 -1.577 19201 644 1 2 . 1 1 48 48 TYR H H 48 7.812 7.812 7.720 0.092 19201 645 1 2 . 1 1 49 49 ASP N N 49 125.426 125.426 121.341 4.085 19201 646 1 2 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.771 -0.462 19201 647 1 2 . 1 1 49 49 ASP C C 49 176.996 176.996 176.998 -0.002 19201 648 1 2 . 1 1 49 49 ASP CA C 49 54.877 54.877 52.828 2.049 19201 649 1 2 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.176 -0.871 19201 650 1 2 . 1 1 49 49 ASP H H 49 8.012 8.012 8.267 -0.255 19201 651 1 2 . 1 1 50 50 GLN N N 50 126.958 126.958 123.590 3.368 19201 652 1 2 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.176 -0.187 19201 653 1 2 . 1 1 50 50 GLN C C 50 177.779 177.779 178.108 -0.329 19201 654 1 2 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.440 -0.522 19201 655 1 2 . 1 1 50 50 GLN CB C 50 28.258 28.258 29.067 -0.809 19201 656 1 2 . 1 1 50 50 GLN H H 50 8.873 8.873 8.909 -0.036 19201 657 1 2 . 1 1 51 51 GLN N N 51 117.767 117.767 119.644 -1.877 19201 658 1 2 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.146 0.007 19201 659 1 2 . 1 1 51 51 GLN C C 51 179.003 179.003 178.204 0.799 19201 660 1 2 . 1 1 51 51 GLN CA C 51 59.130 59.130 59.199 -0.069 19201 661 1 2 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.098 0.272 19201 662 1 2 . 1 1 51 51 GLN H H 51 8.425 8.425 8.922 -0.497 19201 663 1 2 . 1 1 52 52 VAL N N 52 122.144 122.144 119.560 2.584 19201 664 1 2 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.803 -0.240 19201 665 1 2 . 1 1 52 52 VAL C C 52 179.252 179.252 177.919 1.333 19201 666 1 2 . 1 1 52 52 VAL CA C 52 66.530 66.530 66.544 -0.014 19201 667 1 2 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.214 0.401 19201 668 1 2 . 1 1 52 52 VAL H H 52 7.864 7.864 7.941 -0.077 19201 669 1 2 . 1 1 53 53 PHE N N 53 122.104 122.104 121.406 0.698 19201 670 1 2 . 1 1 53 53 PHE HA H 53 3.776 3.776 3.955 -0.179 19201 671 1 2 . 1 1 53 53 PHE C C 53 176.497 176.497 176.860 -0.363 19201 672 1 2 . 1 1 53 53 PHE CA C 53 61.517 61.517 60.903 0.614 19201 673 1 2 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.198 -0.095 19201 674 1 2 . 1 1 53 53 PHE H H 53 8.291 8.291 8.413 -0.122 19201 675 1 2 . 1 1 54 54 GLU N N 54 118.755 118.755 119.702 -0.947 19201 676 1 2 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.791 -0.101 19201 677 1 2 . 1 1 54 54 GLU C C 54 179.450 179.450 179.304 0.146 19201 678 1 2 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.933 -0.087 19201 679 1 2 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.933 0.028 19201 680 1 2 . 1 1 54 54 GLU H H 54 8.613 8.613 8.849 -0.236 19201 681 1 2 . 1 1 55 55 ARG N N 55 119.023 119.023 116.578 2.445 19201 682 1 2 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.142 -0.135 19201 683 1 2 . 1 1 55 55 ARG C C 55 178.908 178.908 178.467 0.441 19201 684 1 2 . 1 1 55 55 ARG CA C 55 59.150 59.150 57.914 1.236 19201 685 1 2 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.805 0.041 19201 686 1 2 . 1 1 55 55 ARG H H 55 8.006 8.006 8.270 -0.264 19201 687 1 2 . 1 1 56 56 HIS N N 56 119.517 119.517 118.675 0.842 19201 688 1 2 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.539 -0.427 19201 689 1 2 . 1 1 56 56 HIS C C 56 178.078 178.078 177.251 0.827 19201 690 1 2 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.185 1.172 19201 691 1 2 . 1 1 56 56 HIS CB C 56 26.817 26.817 30.211 -3.394 19201 692 1 2 . 1 1 56 56 HIS H H 56 7.921 7.921 7.589 0.332 19201 693 1 2 . 1 1 57 57 VAL N N 57 121.280 121.280 120.249 1.031 19201 694 1 2 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.356 0.088 19201 695 1 2 . 1 1 57 57 VAL C C 57 177.845 177.845 178.152 -0.307 19201 696 1 2 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.572 1.816 19201 697 1 2 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.472 0.277 19201 698 1 2 . 1 1 57 57 VAL H H 57 8.131 8.131 8.070 0.061 19201 699 1 2 . 1 1 58 58 GLN N N 58 115.274 115.274 117.322 -2.048 19201 700 1 2 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.346 -0.348 19201 701 1 2 . 1 1 58 58 GLN C C 58 178.690 178.690 178.437 0.253 19201 702 1 2 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.446 -0.495 19201 703 1 2 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.055 0.205 19201 704 1 2 . 1 1 58 58 GLN H H 58 7.745 7.745 8.647 -0.902 19201 705 1 2 . 1 1 59 59 THR N N 59 112.271 112.271 114.133 -1.862 19201 706 1 2 . 1 1 59 59 THR HA H 59 4.078 4.078 4.169 -0.091 19201 707 1 2 . 1 1 59 59 THR C C 59 176.280 176.280 175.876 0.404 19201 708 1 2 . 1 1 59 59 THR CA C 59 65.185 65.185 64.151 1.034 19201 709 1 2 . 1 1 59 59 THR CB C 59 69.186 69.186 68.551 0.635 19201 710 1 2 . 1 1 59 59 THR H H 59 7.658 7.658 7.471 0.187 19201 711 1 2 . 1 1 60 60 HIS N N 60 117.387 117.387 119.986 -2.599 19201 712 1 2 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.237 0.125 19201 713 1 2 . 1 1 60 60 HIS C C 60 175.307 175.307 177.086 -1.779 19201 714 1 2 . 1 1 60 60 HIS CA C 60 57.055 57.055 59.133 -2.078 19201 715 1 2 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.982 -1.796 19201 716 1 2 . 1 1 60 60 HIS H H 60 7.226 7.226 7.719 -0.493 19201 717 1 2 . 1 1 61 61 PHE N N 61 118.105 118.105 117.185 0.920 19201 718 1 2 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.506 0.141 19201 719 1 2 . 1 1 61 61 PHE C C 61 175.798 175.798 177.225 -1.427 19201 720 1 2 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.469 -2.719 19201 721 1 2 . 1 1 61 61 PHE CB C 61 39.569 39.569 38.975 0.594 19201 722 1 2 . 1 1 61 61 PHE H H 61 7.601 7.601 7.732 -0.131 19201 723 1 2 . 1 1 62 62 ASP N N 62 120.979 120.979 118.885 2.094 19201 724 1 2 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.514 0.062 19201 725 1 2 . 1 1 62 62 ASP C C 62 176.531 176.531 177.595 -1.064 19201 726 1 2 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.797 -1.909 19201 727 1 2 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.326 -0.116 19201 728 1 2 . 1 1 62 62 ASP H H 62 8.021 8.021 7.896 0.125 19201 729 1 2 . 1 1 63 63 GLN N N 63 120.043 120.043 113.921 6.122 19201 730 1 2 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.980 0.291 19201 731 1 2 . 1 1 63 63 GLN C C 63 175.955 175.955 175.708 0.247 19201 732 1 2 . 1 1 63 63 GLN CA C 63 56.147 56.147 58.093 -1.946 19201 733 1 2 . 1 1 63 63 GLN CB C 63 29.184 29.184 26.738 2.446 19201 734 1 2 . 1 1 63 63 GLN H H 63 8.274 8.274 8.153 0.121 19201 735 1 2 . 1 1 64 64 ASN N N 64 119.150 119.150 117.045 2.105 19201 736 1 2 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.642 0.026 19201 737 1 2 . 1 1 64 64 ASN C C 64 175.159 175.159 175.346 -0.187 19201 738 1 2 . 1 1 64 64 ASN CA C 64 53.645 53.645 53.910 -0.265 19201 739 1 2 . 1 1 64 64 ASN CB C 64 38.855 38.855 39.343 -0.488 19201 740 1 2 . 1 1 64 64 ASN H H 64 8.406 8.406 8.005 0.401 19201 741 1 2 . 1 1 65 65 VAL N N 65 119.684 119.684 115.879 3.805 19201 742 1 2 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.760 0.279 19201 743 1 2 . 1 1 65 65 VAL C C 65 175.835 175.835 174.887 0.948 19201 744 1 2 . 1 1 65 65 VAL CA C 65 62.523 62.523 62.540 -0.017 19201 745 1 2 . 1 1 65 65 VAL CB C 65 32.584 32.584 28.631 3.953 19201 746 1 2 . 1 1 65 65 VAL H H 65 7.904 7.904 7.746 0.158 19201 747 1 2 . 1 1 66 66 LEU N N 66 124.819 124.819 122.247 2.572 19201 748 1 2 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.317 -0.050 19201 749 1 2 . 1 1 66 66 LEU C C 66 176.316 176.316 176.521 -0.205 19201 750 1 2 . 1 1 66 66 LEU CA C 66 54.899 54.899 54.732 0.167 19201 751 1 2 . 1 1 66 66 LEU CB C 66 42.404 42.404 40.481 1.923 19201 752 1 2 . 1 1 66 66 LEU H H 66 8.115 8.115 8.389 -0.274 19201 753 1 2 . 1 1 67 67 ASN N N 67 119.012 119.012 124.726 -5.714 19201 754 1 2 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.999 -0.364 19201 755 1 2 . 1 1 67 67 ASN C C 67 174.316 174.316 174.389 -0.073 19201 756 1 2 . 1 1 67 67 ASN CA C 67 52.964 52.964 52.650 0.314 19201 757 1 2 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.279 0.297 19201 758 1 2 . 1 1 67 67 ASN H H 67 8.057 8.057 8.588 -0.531 19201 759 1 2 . 1 1 68 68 PHE N N 68 121.187 121.187 127.283 -6.096 19201 760 1 2 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.640 0.014 19201 761 1 2 . 1 1 68 68 PHE C C 68 174.610 174.610 174.500 0.110 19201 762 1 2 . 1 1 68 68 PHE CA C 68 57.397 57.397 57.673 -0.276 19201 763 1 2 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.272 0.452 19201 764 1 2 . 1 1 68 68 PHE H H 68 8.208 8.208 8.665 -0.457 19201 765 1 3 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.642 -0.211 19201 766 1 3 . 1 1 2 2 PRO C C 2 176.542 176.542 175.897 0.645 19201 767 1 3 . 1 1 2 2 PRO CA C 2 62.968 62.968 62.538 0.429 19201 768 1 3 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.862 -0.563 19201 769 1 3 . 1 1 3 3 HIS N N 3 119.528 119.528 118.878 0.650 19201 770 1 3 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.813 -0.170 19201 771 1 3 . 1 1 3 3 HIS C C 3 174.598 174.598 174.694 -0.096 19201 772 1 3 . 1 1 3 3 HIS CA C 3 55.726 55.726 54.927 0.799 19201 773 1 3 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.772 -1.277 19201 774 1 3 . 1 1 3 3 HIS H H 3 8.651 8.651 8.451 0.200 19201 775 1 3 . 1 1 4 4 MET N N 4 122.541 122.541 124.531 -1.990 19201 776 1 3 . 1 1 4 4 MET HA H 4 4.474 4.474 4.433 0.041 19201 777 1 3 . 1 1 4 4 MET C C 4 175.419 175.419 175.809 -0.390 19201 778 1 3 . 1 1 4 4 MET CA C 4 55.207 55.207 54.037 1.170 19201 779 1 3 . 1 1 4 4 MET CB C 4 33.158 33.158 32.088 1.070 19201 780 1 3 . 1 1 4 4 MET H H 4 8.403 8.403 8.758 -0.355 19201 781 1 3 . 1 1 5 5 ASP N N 5 122.333 122.333 123.194 -0.861 19201 782 1 3 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.327 0.298 19201 783 1 3 . 1 1 5 5 ASP C C 5 175.734 175.734 174.362 1.372 19201 784 1 3 . 1 1 5 5 ASP CA C 5 54.259 54.259 55.176 -0.917 19201 785 1 3 . 1 1 5 5 ASP CB C 5 41.323 41.323 42.141 -0.818 19201 786 1 3 . 1 1 5 5 ASP H H 5 8.513 8.513 8.596 -0.083 19201 787 1 3 . 1 1 6 6 VAL N N 6 118.762 118.762 117.685 1.077 19201 788 1 3 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.075 0.070 19201 789 1 3 . 1 1 6 6 VAL C C 6 175.686 175.686 175.307 0.379 19201 790 1 3 . 1 1 6 6 VAL CA C 6 61.855 61.855 63.335 -1.480 19201 791 1 3 . 1 1 6 6 VAL CB C 6 32.997 32.997 33.377 -0.380 19201 792 1 3 . 1 1 6 6 VAL H H 6 8.011 8.011 8.035 -0.024 19201 793 1 3 . 1 1 7 7 HIS N N 7 121.430 121.430 121.590 -0.160 19201 794 1 3 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.811 -0.312 19201 795 1 3 . 1 1 7 7 HIS C C 7 174.456 174.456 174.162 0.294 19201 796 1 3 . 1 1 7 7 HIS CA C 7 56.097 56.097 55.340 0.757 19201 797 1 3 . 1 1 7 7 HIS CB C 7 30.624 30.624 28.522 2.102 19201 798 1 3 . 1 1 7 7 HIS H H 7 8.323 8.323 8.059 0.264 19201 799 1 3 . 1 1 8 8 LYS N N 8 122.591 122.591 124.565 -1.974 19201 800 1 3 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.579 -0.258 19201 801 1 3 . 1 1 8 8 LYS C C 8 174.443 174.443 174.993 -0.550 19201 802 1 3 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.992 0.904 19201 803 1 3 . 1 1 8 8 LYS CB C 8 33.984 33.984 33.304 0.680 19201 804 1 3 . 1 1 8 8 LYS H H 8 8.515 8.515 7.868 0.647 19201 805 1 3 . 1 1 9 9 LYS N N 9 124.787 124.787 122.018 2.769 19201 806 1 3 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.392 -0.214 19201 807 1 3 . 1 1 9 9 LYS C C 9 176.374 176.374 176.356 0.018 19201 808 1 3 . 1 1 9 9 LYS CA C 9 54.570 54.570 53.995 0.576 19201 809 1 3 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.534 0.953 19201 810 1 3 . 1 1 9 9 LYS H H 9 8.383 8.383 8.317 0.066 19201 811 1 3 . 1 1 10 10 CYS N N 10 129.698 129.698 124.974 4.724 19201 812 1 3 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.877 -0.061 19201 813 1 3 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.554 0.406 19201 814 1 3 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.125 3.606 19201 815 1 3 . 1 1 10 10 CYS H H 10 8.999 8.999 8.853 0.146 19201 816 1 3 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.392 0.190 19201 817 1 3 . 1 1 11 11 PRO C C 11 177.219 177.219 176.142 1.077 19201 818 1 3 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.191 -0.990 19201 819 1 3 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.602 0.719 19201 820 1 3 . 1 1 12 12 LEU N N 12 121.846 121.846 118.203 3.643 19201 821 1 3 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.473 -0.067 19201 822 1 3 . 1 1 12 12 LEU C C 12 176.492 176.492 178.183 -1.691 19201 823 1 3 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.922 -0.778 19201 824 1 3 . 1 1 12 12 LEU CB C 12 43.242 43.242 41.059 2.183 19201 825 1 3 . 1 1 12 12 LEU H H 12 9.347 9.347 7.878 1.469 19201 826 1 3 . 1 1 13 13 CYS N N 13 119.509 119.509 113.306 6.203 19201 827 1 3 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.733 0.208 19201 828 1 3 . 1 1 13 13 CYS C C 13 173.792 173.792 175.492 -1.700 19201 829 1 3 . 1 1 13 13 CYS CA C 13 58.541 58.541 57.816 0.726 19201 830 1 3 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.648 1.242 19201 831 1 3 . 1 1 13 13 CYS H H 13 7.879 7.879 7.488 0.391 19201 832 1 3 . 1 1 14 14 GLU N N 14 114.443 114.443 118.773 -4.330 19201 833 1 3 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.151 0.013 19201 834 1 3 . 1 1 14 14 GLU C C 14 175.831 175.831 175.190 0.641 19201 835 1 3 . 1 1 14 14 GLU CA C 14 57.399 57.399 56.800 0.599 19201 836 1 3 . 1 1 14 14 GLU CB C 14 28.737 28.737 27.127 1.610 19201 837 1 3 . 1 1 14 14 GLU H H 14 8.112 8.112 8.245 -0.133 19201 838 1 3 . 1 1 15 15 LEU N N 15 124.338 124.338 119.659 4.679 19201 839 1 3 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.218 -0.350 19201 840 1 3 . 1 1 15 15 LEU C C 15 174.900 174.900 175.719 -0.819 19201 841 1 3 . 1 1 15 15 LEU CA C 15 57.105 57.105 54.976 2.129 19201 842 1 3 . 1 1 15 15 LEU CB C 15 43.170 43.170 42.963 0.207 19201 843 1 3 . 1 1 15 15 LEU H H 15 8.403 8.403 7.315 1.088 19201 844 1 3 . 1 1 16 16 MET N N 16 121.138 121.138 125.107 -3.969 19201 845 1 3 . 1 1 16 16 MET HA H 16 4.964 4.964 4.815 0.149 19201 846 1 3 . 1 1 16 16 MET C C 16 175.457 175.457 175.210 0.247 19201 847 1 3 . 1 1 16 16 MET CA C 16 53.699 53.699 55.190 -1.490 19201 848 1 3 . 1 1 16 16 MET CB C 16 34.779 34.779 33.657 1.123 19201 849 1 3 . 1 1 16 16 MET H H 16 7.738 7.738 8.156 -0.418 19201 850 1 3 . 1 1 17 17 PHE N N 17 122.417 122.417 128.201 -5.784 19201 851 1 3 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.892 -0.358 19201 852 1 3 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.702 -0.132 19201 853 1 3 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.019 0.782 19201 854 1 3 . 1 1 17 17 PHE H H 17 8.868 8.868 8.850 0.018 19201 855 1 3 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.967 -0.410 19201 856 1 3 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.814 0.782 19201 857 1 3 . 1 1 18 18 PRO CB C 18 31.065 31.065 32.185 -1.121 19201 858 1 3 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.324 -0.103 19201 859 1 3 . 1 1 19 19 PRO C C 19 176.899 176.899 175.796 1.103 19201 860 1 3 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.258 0.915 19201 861 1 3 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.641 1.189 19201 862 1 3 . 1 1 20 20 ASN N N 20 113.731 113.731 117.019 -3.288 19201 863 1 3 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.797 -0.236 19201 864 1 3 . 1 1 20 20 ASN C C 20 174.737 174.737 174.985 -0.248 19201 865 1 3 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.737 0.147 19201 866 1 3 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.815 -2.543 19201 867 1 3 . 1 1 20 20 ASN H H 20 8.330 8.330 8.345 -0.015 19201 868 1 3 . 1 1 21 21 TYR N N 21 121.548 121.548 120.190 1.358 19201 869 1 3 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.739 -0.534 19201 870 1 3 . 1 1 21 21 TYR C C 21 174.916 174.916 174.457 0.459 19201 871 1 3 . 1 1 21 21 TYR CA C 21 58.941 58.941 56.764 2.177 19201 872 1 3 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.638 -0.184 19201 873 1 3 . 1 1 21 21 TYR H H 21 7.666 7.666 7.623 0.043 19201 874 1 3 . 1 1 22 22 ASP N N 22 126.191 126.191 121.849 4.342 19201 875 1 3 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.698 -0.434 19201 876 1 3 . 1 1 22 22 ASP C C 22 176.536 176.536 176.605 -0.069 19201 877 1 3 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.975 1.952 19201 878 1 3 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.335 -1.008 19201 879 1 3 . 1 1 22 22 ASP H H 22 7.832 7.832 8.542 -0.710 19201 880 1 3 . 1 1 23 23 GLN N N 23 127.794 127.794 123.761 4.033 19201 881 1 3 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.181 -0.191 19201 882 1 3 . 1 1 23 23 GLN C C 23 178.011 178.011 178.172 -0.161 19201 883 1 3 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.159 -0.204 19201 884 1 3 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.684 -0.702 19201 885 1 3 . 1 1 23 23 GLN H H 23 8.891 8.891 8.925 -0.034 19201 886 1 3 . 1 1 24 24 SER N N 24 115.542 115.542 114.062 1.480 19201 887 1 3 . 1 1 24 24 SER HA H 24 4.298 4.298 4.298 -0.000 19201 888 1 3 . 1 1 24 24 SER C C 24 177.419 177.419 176.091 1.328 19201 889 1 3 . 1 1 24 24 SER CA C 24 61.975 61.975 61.626 0.349 19201 890 1 3 . 1 1 24 24 SER CB C 24 61.975 61.975 63.021 -1.046 19201 891 1 3 . 1 1 24 24 SER H H 24 8.479 8.479 8.867 -0.388 19201 892 1 3 . 1 1 25 25 LYS N N 25 123.099 123.099 122.915 0.184 19201 893 1 3 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.243 -0.064 19201 894 1 3 . 1 1 25 25 LYS C C 25 180.064 180.064 178.834 1.230 19201 895 1 3 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.534 -0.229 19201 896 1 3 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.028 -0.357 19201 897 1 3 . 1 1 25 25 LYS H H 25 7.734 7.734 7.680 0.054 19201 898 1 3 . 1 1 26 26 PHE N N 26 123.746 123.746 120.637 3.109 19201 899 1 3 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.712 0.138 19201 900 1 3 . 1 1 26 26 PHE C C 26 176.469 176.469 176.585 -0.116 19201 901 1 3 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.557 0.202 19201 902 1 3 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.617 0.546 19201 903 1 3 . 1 1 26 26 PHE H H 26 8.414 8.414 8.996 -0.582 19201 904 1 3 . 1 1 27 27 GLU N N 27 118.957 118.957 118.141 0.816 19201 905 1 3 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.634 0.107 19201 906 1 3 . 1 1 27 27 GLU C C 27 178.777 178.777 178.833 -0.056 19201 907 1 3 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.254 0.363 19201 908 1 3 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.229 -0.547 19201 909 1 3 . 1 1 27 27 GLU H H 27 8.497 8.497 7.921 0.576 19201 910 1 3 . 1 1 28 28 GLU N N 28 118.812 118.812 118.333 0.479 19201 911 1 3 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.047 -0.126 19201 912 1 3 . 1 1 28 28 GLU C C 28 179.241 179.241 177.859 1.382 19201 913 1 3 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.617 0.627 19201 914 1 3 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.497 0.262 19201 915 1 3 . 1 1 28 28 GLU H H 28 7.967 7.967 7.852 0.115 19201 916 1 3 . 1 1 29 29 HIS N N 29 118.117 118.117 118.694 -0.577 19201 917 1 3 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.486 -0.343 19201 918 1 3 . 1 1 29 29 HIS C C 29 178.484 178.484 176.943 1.541 19201 919 1 3 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.804 1.550 19201 920 1 3 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.839 -3.778 19201 921 1 3 . 1 1 29 29 HIS H H 29 7.791 7.791 7.543 0.248 19201 922 1 3 . 1 1 30 30 VAL N N 30 122.416 122.416 120.558 1.858 19201 923 1 3 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.431 -0.023 19201 924 1 3 . 1 1 30 30 VAL C C 30 178.303 178.303 177.593 0.710 19201 925 1 3 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.336 1.539 19201 926 1 3 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.516 0.251 19201 927 1 3 . 1 1 30 30 VAL H H 30 8.202 8.202 8.017 0.185 19201 928 1 3 . 1 1 31 31 GLU N N 31 115.746 115.746 114.298 1.448 19201 929 1 3 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.041 0.684 19201 930 1 3 . 1 1 31 31 GLU C C 31 178.071 178.071 176.445 1.626 19201 931 1 3 . 1 1 31 31 GLU CA C 31 58.027 58.027 57.406 0.621 19201 932 1 3 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.972 -0.201 19201 933 1 3 . 1 1 31 31 GLU H H 31 7.969 7.969 7.933 0.036 19201 934 1 3 . 1 1 32 32 SER N N 32 115.845 115.845 112.698 3.147 19201 935 1 3 . 1 1 32 32 SER HA H 32 4.223 4.223 4.222 0.001 19201 936 1 3 . 1 1 32 32 SER C C 32 174.855 174.855 175.217 -0.362 19201 937 1 3 . 1 1 32 32 SER CA C 32 60.645 60.645 59.893 0.752 19201 938 1 3 . 1 1 32 32 SER CB C 32 62.815 62.815 63.517 -0.702 19201 939 1 3 . 1 1 32 32 SER H H 32 7.584 7.584 7.356 0.228 19201 940 1 3 . 1 1 33 33 HIS N N 33 118.635 118.635 118.347 0.288 19201 941 1 3 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.459 -0.010 19201 942 1 3 . 1 1 33 33 HIS C C 33 175.524 175.524 175.978 -0.454 19201 943 1 3 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.300 -1.274 19201 944 1 3 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.485 -1.182 19201 945 1 3 . 1 1 33 33 HIS H H 33 7.286 7.286 7.487 -0.201 19201 946 1 3 . 1 1 34 34 TRP N N 34 121.219 121.219 119.617 1.602 19201 947 1 3 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.865 -0.529 19201 948 1 3 . 1 1 34 34 TRP C C 34 175.644 175.644 176.884 -1.240 19201 949 1 3 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.508 2.816 19201 950 1 3 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.859 0.403 19201 951 1 3 . 1 1 34 34 TRP H H 34 7.949 7.949 7.581 0.368 19201 952 1 3 . 1 1 35 35 LYS N N 35 122.872 122.872 123.963 -1.091 19201 953 1 3 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.084 0.256 19201 954 1 3 . 1 1 35 35 LYS C C 35 175.286 175.286 175.653 -0.367 19201 955 1 3 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.589 1.017 19201 956 1 3 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.027 2.357 19201 957 1 3 . 1 1 35 35 LYS H H 35 8.581 8.581 8.926 -0.345 19201 958 1 3 . 1 1 36 36 VAL N N 36 122.386 122.386 125.604 -3.218 19201 959 1 3 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.613 0.318 19201 960 1 3 . 1 1 36 36 VAL C C 36 176.320 176.320 176.088 0.232 19201 961 1 3 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.207 0.148 19201 962 1 3 . 1 1 36 36 VAL CB C 36 34.607 34.607 32.588 2.019 19201 963 1 3 . 1 1 36 36 VAL H H 36 8.313 8.313 8.172 0.141 19201 964 1 3 . 1 1 37 37 CYS N N 37 130.378 130.378 129.807 0.571 19201 965 1 3 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.282 -0.378 19201 966 1 3 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.523 0.937 19201 967 1 3 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.433 2.204 19201 968 1 3 . 1 1 37 37 CYS H H 37 9.165 9.165 9.269 -0.104 19201 969 1 3 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.391 0.192 19201 970 1 3 . 1 1 38 38 PRO C C 38 176.933 176.933 177.473 -0.540 19201 971 1 3 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.950 -1.730 19201 972 1 3 . 1 1 38 38 PRO CB C 38 32.315 32.315 32.026 0.289 19201 973 1 3 . 1 1 39 39 MET N N 39 119.180 119.180 115.697 3.483 19201 974 1 3 . 1 1 39 39 MET HA H 39 4.534 4.534 4.506 0.028 19201 975 1 3 . 1 1 39 39 MET C C 39 176.454 176.454 177.462 -1.008 19201 976 1 3 . 1 1 39 39 MET CA C 39 55.971 55.971 57.444 -1.473 19201 977 1 3 . 1 1 39 39 MET CB C 39 32.539 32.539 33.473 -0.934 19201 978 1 3 . 1 1 39 39 MET H H 39 9.054 9.054 8.535 0.519 19201 979 1 3 . 1 1 40 40 CYS N N 40 118.414 118.414 116.295 2.119 19201 980 1 3 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.576 0.447 19201 981 1 3 . 1 1 40 40 CYS C C 40 175.288 175.288 175.936 -0.648 19201 982 1 3 . 1 1 40 40 CYS CA C 40 58.570 58.570 59.481 -0.911 19201 983 1 3 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.372 3.329 19201 984 1 3 . 1 1 40 40 CYS H H 40 8.096 8.096 8.048 0.048 19201 985 1 3 . 1 1 41 41 SER N N 41 113.638 113.638 114.816 -1.178 19201 986 1 3 . 1 1 41 41 SER HA H 41 4.291 4.291 4.311 -0.020 19201 987 1 3 . 1 1 41 41 SER C C 41 173.193 173.193 173.014 0.179 19201 988 1 3 . 1 1 41 41 SER CA C 41 60.401 60.401 59.138 1.263 19201 989 1 3 . 1 1 41 41 SER CB C 41 62.177 62.177 62.764 -0.587 19201 990 1 3 . 1 1 41 41 SER H H 41 7.916 7.916 8.559 -0.643 19201 991 1 3 . 1 1 42 42 GLU N N 42 124.849 124.849 119.557 5.292 19201 992 1 3 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.488 -0.569 19201 993 1 3 . 1 1 42 42 GLU C C 42 174.373 174.373 175.142 -0.769 19201 994 1 3 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.050 3.300 19201 995 1 3 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.655 -2.003 19201 996 1 3 . 1 1 42 42 GLU H H 42 8.483 8.483 8.120 0.363 19201 997 1 3 . 1 1 43 43 GLN N N 43 122.061 122.061 122.442 -0.381 19201 998 1 3 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.876 0.166 19201 999 1 3 . 1 1 43 43 GLN C C 43 175.251 175.251 175.032 0.219 19201 1000 1 3 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.695 -0.301 19201 1001 1 3 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.893 0.329 19201 1002 1 3 . 1 1 43 43 GLN H H 43 8.047 8.047 8.636 -0.589 19201 1003 1 3 . 1 1 44 44 PHE N N 44 122.827 122.827 123.320 -0.493 19201 1004 1 3 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.712 -0.034 19201 1005 1 3 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.445 -0.451 19201 1006 1 3 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.811 0.097 19201 1007 1 3 . 1 1 44 44 PHE H H 44 9.312 9.312 8.907 0.405 19201 1008 1 3 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.295 -0.764 19201 1009 1 3 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.845 -0.634 19201 1010 1 3 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.127 -0.238 19201 1011 1 3 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.593 -0.429 19201 1012 1 3 . 1 1 46 46 PRO C C 46 176.621 176.621 177.588 -0.967 19201 1013 1 3 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.164 -0.713 19201 1014 1 3 . 1 1 46 46 PRO CB C 46 31.890 31.890 32.188 -0.298 19201 1015 1 3 . 1 1 47 47 ASP N N 47 113.411 113.411 116.446 -3.035 19201 1016 1 3 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.462 0.014 19201 1017 1 3 . 1 1 47 47 ASP C C 47 175.831 175.831 175.782 0.049 19201 1018 1 3 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.769 -1.886 19201 1019 1 3 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.777 -1.226 19201 1020 1 3 . 1 1 47 47 ASP H H 47 8.028 8.028 8.340 -0.312 19201 1021 1 3 . 1 1 48 48 TYR N N 48 122.527 122.527 121.030 1.497 19201 1022 1 3 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.369 -0.166 19201 1023 1 3 . 1 1 48 48 TYR C C 48 175.189 175.189 174.922 0.267 19201 1024 1 3 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.582 0.227 19201 1025 1 3 . 1 1 48 48 TYR CB C 48 39.307 39.307 38.693 0.614 19201 1026 1 3 . 1 1 48 48 TYR H H 48 7.812 7.812 7.717 0.095 19201 1027 1 3 . 1 1 49 49 ASP N N 49 125.426 125.426 125.996 -0.570 19201 1028 1 3 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.563 -0.254 19201 1029 1 3 . 1 1 49 49 ASP C C 49 176.996 176.996 177.092 -0.096 19201 1030 1 3 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.555 0.322 19201 1031 1 3 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.325 -1.020 19201 1032 1 3 . 1 1 49 49 ASP H H 49 8.012 8.012 8.194 -0.182 19201 1033 1 3 . 1 1 50 50 GLN N N 50 126.958 126.958 123.084 3.874 19201 1034 1 3 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.199 -0.210 19201 1035 1 3 . 1 1 50 50 GLN C C 50 177.779 177.779 178.275 -0.496 19201 1036 1 3 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.487 -0.569 19201 1037 1 3 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.430 -0.172 19201 1038 1 3 . 1 1 50 50 GLN H H 50 8.873 8.873 8.844 0.029 19201 1039 1 3 . 1 1 51 51 GLN N N 51 117.767 117.767 117.432 0.335 19201 1040 1 3 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.167 -0.014 19201 1041 1 3 . 1 1 51 51 GLN C C 51 179.003 179.003 178.075 0.928 19201 1042 1 3 . 1 1 51 51 GLN CA C 51 59.130 59.130 57.931 1.198 19201 1043 1 3 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.407 -0.037 19201 1044 1 3 . 1 1 51 51 GLN H H 51 8.425 8.425 9.020 -0.595 19201 1045 1 3 . 1 1 52 52 VAL N N 52 122.144 122.144 118.400 3.744 19201 1046 1 3 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.806 -0.243 19201 1047 1 3 . 1 1 52 52 VAL C C 52 179.252 179.252 177.476 1.776 19201 1048 1 3 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.123 1.407 19201 1049 1 3 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.788 -0.173 19201 1050 1 3 . 1 1 52 52 VAL H H 52 7.864 7.864 7.093 0.771 19201 1051 1 3 . 1 1 53 53 PHE N N 53 122.104 122.104 121.966 0.138 19201 1052 1 3 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.215 -0.439 19201 1053 1 3 . 1 1 53 53 PHE C C 53 176.497 176.497 177.040 -0.543 19201 1054 1 3 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.503 0.014 19201 1055 1 3 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.418 -0.315 19201 1056 1 3 . 1 1 53 53 PHE H H 53 8.291 8.291 8.873 -0.582 19201 1057 1 3 . 1 1 54 54 GLU N N 54 118.755 118.755 118.326 0.429 19201 1058 1 3 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.788 -0.098 19201 1059 1 3 . 1 1 54 54 GLU C C 54 179.450 179.450 178.975 0.475 19201 1060 1 3 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.855 -0.009 19201 1061 1 3 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.169 -0.208 19201 1062 1 3 . 1 1 54 54 GLU H H 54 8.613 8.613 8.831 -0.218 19201 1063 1 3 . 1 1 55 55 ARG N N 55 119.023 119.023 117.853 1.170 19201 1064 1 3 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.141 -0.134 19201 1065 1 3 . 1 1 55 55 ARG C C 55 178.908 178.908 178.718 0.190 19201 1066 1 3 . 1 1 55 55 ARG CA C 55 59.150 59.150 57.885 1.265 19201 1067 1 3 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.544 0.302 19201 1068 1 3 . 1 1 55 55 ARG H H 55 8.006 8.006 7.942 0.064 19201 1069 1 3 . 1 1 56 56 HIS N N 56 119.517 119.517 120.750 -1.233 19201 1070 1 3 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.313 -0.201 19201 1071 1 3 . 1 1 56 56 HIS C C 56 178.078 178.078 177.896 0.182 19201 1072 1 3 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.505 0.852 19201 1073 1 3 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.358 -2.541 19201 1074 1 3 . 1 1 56 56 HIS H H 56 7.921 7.921 8.061 -0.140 19201 1075 1 3 . 1 1 57 57 VAL N N 57 121.280 121.280 121.324 -0.044 19201 1076 1 3 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.767 -0.323 19201 1077 1 3 . 1 1 57 57 VAL C C 57 177.845 177.845 178.200 -0.355 19201 1078 1 3 . 1 1 57 57 VAL CA C 57 67.388 67.388 66.393 0.995 19201 1079 1 3 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.242 0.507 19201 1080 1 3 . 1 1 57 57 VAL H H 57 8.131 8.131 7.975 0.156 19201 1081 1 3 . 1 1 58 58 GLN N N 58 115.274 115.274 116.074 -0.800 19201 1082 1 3 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.016 -0.018 19201 1083 1 3 . 1 1 58 58 GLN C C 58 178.690 178.690 178.462 0.228 19201 1084 1 3 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.155 -0.204 19201 1085 1 3 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.084 0.176 19201 1086 1 3 . 1 1 58 58 GLN H H 58 7.745 7.745 7.793 -0.048 19201 1087 1 3 . 1 1 59 59 THR N N 59 112.271 112.271 112.593 -0.322 19201 1088 1 3 . 1 1 59 59 THR HA H 59 4.078 4.078 4.218 -0.140 19201 1089 1 3 . 1 1 59 59 THR C C 59 176.280 176.280 176.131 0.149 19201 1090 1 3 . 1 1 59 59 THR CA C 59 65.185 65.185 66.141 -0.956 19201 1091 1 3 . 1 1 59 59 THR CB C 59 69.186 69.186 69.047 0.138 19201 1092 1 3 . 1 1 59 59 THR H H 59 7.658 7.658 7.981 -0.323 19201 1093 1 3 . 1 1 60 60 HIS N N 60 117.387 117.387 117.321 0.066 19201 1094 1 3 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.619 -0.257 19201 1095 1 3 . 1 1 60 60 HIS C C 60 175.307 175.307 176.800 -1.493 19201 1096 1 3 . 1 1 60 60 HIS CA C 60 57.055 57.055 57.015 0.040 19201 1097 1 3 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.274 -1.088 19201 1098 1 3 . 1 1 60 60 HIS H H 60 7.226 7.226 7.827 -0.601 19201 1099 1 3 . 1 1 61 61 PHE N N 61 118.105 118.105 119.167 -1.062 19201 1100 1 3 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.343 0.304 19201 1101 1 3 . 1 1 61 61 PHE C C 61 175.798 175.798 176.668 -0.870 19201 1102 1 3 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.549 -2.798 19201 1103 1 3 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.144 0.425 19201 1104 1 3 . 1 1 61 61 PHE H H 61 7.601 7.601 7.963 -0.362 19201 1105 1 3 . 1 1 62 62 ASP N N 62 120.979 120.979 118.917 2.062 19201 1106 1 3 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.595 -0.018 19201 1107 1 3 . 1 1 62 62 ASP C C 62 176.531 176.531 177.157 -0.626 19201 1108 1 3 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.275 -1.387 19201 1109 1 3 . 1 1 62 62 ASP CB C 62 41.210 41.210 42.068 -0.858 19201 1110 1 3 . 1 1 62 62 ASP H H 62 8.021 8.021 7.661 0.360 19201 1111 1 3 . 1 1 63 63 GLN N N 63 120.043 120.043 114.930 5.113 19201 1112 1 3 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.989 0.282 19201 1113 1 3 . 1 1 63 63 GLN C C 63 175.955 175.955 174.558 1.397 19201 1114 1 3 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.025 -0.878 19201 1115 1 3 . 1 1 63 63 GLN CB C 63 29.184 29.184 26.866 2.318 19201 1116 1 3 . 1 1 63 63 GLN H H 63 8.274 8.274 8.729 -0.455 19201 1117 1 3 . 1 1 64 64 ASN N N 64 119.150 119.150 112.391 6.759 19201 1118 1 3 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.527 0.141 19201 1119 1 3 . 1 1 64 64 ASN C C 64 175.159 175.159 175.086 0.073 19201 1120 1 3 . 1 1 64 64 ASN CA C 64 53.645 53.645 54.306 -0.661 19201 1121 1 3 . 1 1 64 64 ASN CB C 64 38.855 38.855 36.854 2.001 19201 1122 1 3 . 1 1 64 64 ASN H H 64 8.406 8.406 8.160 0.246 19201 1123 1 3 . 1 1 65 65 VAL N N 65 119.684 119.684 117.740 1.944 19201 1124 1 3 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.992 0.047 19201 1125 1 3 . 1 1 65 65 VAL C C 65 175.835 175.835 175.453 0.382 19201 1126 1 3 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.359 -0.836 19201 1127 1 3 . 1 1 65 65 VAL CB C 65 32.584 32.584 32.748 -0.164 19201 1128 1 3 . 1 1 65 65 VAL H H 65 7.904 7.904 7.733 0.171 19201 1129 1 3 . 1 1 66 66 LEU N N 66 124.819 124.819 121.567 3.252 19201 1130 1 3 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.313 -0.046 19201 1131 1 3 . 1 1 66 66 LEU C C 66 176.316 176.316 176.127 0.189 19201 1132 1 3 . 1 1 66 66 LEU CA C 66 54.899 54.899 55.179 -0.280 19201 1133 1 3 . 1 1 66 66 LEU CB C 66 42.404 42.404 39.685 2.719 19201 1134 1 3 . 1 1 66 66 LEU H H 66 8.115 8.115 7.841 0.274 19201 1135 1 3 . 1 1 67 67 ASN N N 67 119.012 119.012 122.708 -3.696 19201 1136 1 3 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.770 -0.135 19201 1137 1 3 . 1 1 67 67 ASN C C 67 174.316 174.316 176.028 -1.712 19201 1138 1 3 . 1 1 67 67 ASN CA C 67 52.964 52.964 54.325 -1.361 19201 1139 1 3 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.618 -0.042 19201 1140 1 3 . 1 1 67 67 ASN H H 67 8.057 8.057 8.149 -0.092 19201 1141 1 3 . 1 1 68 68 PHE N N 68 121.187 121.187 120.046 1.141 19201 1142 1 3 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.508 0.146 19201 1143 1 3 . 1 1 68 68 PHE C C 68 174.610 174.610 175.982 -1.372 19201 1144 1 3 . 1 1 68 68 PHE CA C 68 57.397 57.397 59.139 -1.742 19201 1145 1 3 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.680 0.044 19201 1146 1 3 . 1 1 68 68 PHE H H 68 8.208 8.208 8.589 -0.381 19201 1147 1 4 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.713 -0.282 19201 1148 1 4 . 1 1 2 2 PRO C C 2 176.542 176.542 176.634 -0.092 19201 1149 1 4 . 1 1 2 2 PRO CA C 2 62.968 62.968 62.436 0.532 19201 1150 1 4 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.947 -0.648 19201 1151 1 4 . 1 1 3 3 HIS N N 3 119.528 119.528 118.374 1.154 19201 1152 1 4 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.467 0.176 19201 1153 1 4 . 1 1 3 3 HIS C C 3 174.598 174.598 174.859 -0.261 19201 1154 1 4 . 1 1 3 3 HIS CA C 3 55.726 55.726 57.363 -1.637 19201 1155 1 4 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.554 -1.059 19201 1156 1 4 . 1 1 3 3 HIS H H 3 8.651 8.651 8.464 0.187 19201 1157 1 4 . 1 1 4 4 MET N N 4 122.541 122.541 120.259 2.282 19201 1158 1 4 . 1 1 4 4 MET HA H 4 4.474 4.474 4.416 0.058 19201 1159 1 4 . 1 1 4 4 MET C C 4 175.419 175.419 174.700 0.719 19201 1160 1 4 . 1 1 4 4 MET CA C 4 55.207 55.207 54.372 0.835 19201 1161 1 4 . 1 1 4 4 MET CB C 4 33.158 33.158 34.328 -1.170 19201 1162 1 4 . 1 1 4 4 MET H H 4 8.403 8.403 7.652 0.751 19201 1163 1 4 . 1 1 5 5 ASP N N 5 122.333 122.333 126.225 -3.892 19201 1164 1 4 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.354 0.271 19201 1165 1 4 . 1 1 5 5 ASP C C 5 175.734 175.734 175.457 0.277 19201 1166 1 4 . 1 1 5 5 ASP CA C 5 54.259 54.259 54.539 -0.280 19201 1167 1 4 . 1 1 5 5 ASP CB C 5 41.323 41.323 41.209 0.114 19201 1168 1 4 . 1 1 5 5 ASP H H 5 8.513 8.513 8.721 -0.208 19201 1169 1 4 . 1 1 6 6 VAL N N 6 118.762 118.762 125.026 -6.264 19201 1170 1 4 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.291 -0.146 19201 1171 1 4 . 1 1 6 6 VAL C C 6 175.686 175.686 175.173 0.513 19201 1172 1 4 . 1 1 6 6 VAL CA C 6 61.855 61.855 60.739 1.116 19201 1173 1 4 . 1 1 6 6 VAL CB C 6 32.997 32.997 31.079 1.918 19201 1174 1 4 . 1 1 6 6 VAL H H 6 8.011 8.011 7.728 0.283 19201 1175 1 4 . 1 1 7 7 HIS N N 7 121.430 121.430 118.799 2.631 19201 1176 1 4 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.570 -0.071 19201 1177 1 4 . 1 1 7 7 HIS C C 7 174.456 174.456 175.492 -1.036 19201 1178 1 4 . 1 1 7 7 HIS CA C 7 56.097 56.097 56.328 -0.231 19201 1179 1 4 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.046 0.578 19201 1180 1 4 . 1 1 7 7 HIS H H 7 8.323 8.323 7.714 0.609 19201 1181 1 4 . 1 1 8 8 LYS N N 8 122.591 122.591 121.669 0.922 19201 1182 1 4 . 1 1 8 8 LYS HA H 8 4.321 4.321 3.922 0.399 19201 1183 1 4 . 1 1 8 8 LYS C C 8 174.443 174.443 174.963 -0.520 19201 1184 1 4 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.444 1.452 19201 1185 1 4 . 1 1 8 8 LYS CB C 8 33.984 33.984 29.438 4.546 19201 1186 1 4 . 1 1 8 8 LYS H H 8 8.515 8.515 8.069 0.446 19201 1187 1 4 . 1 1 9 9 LYS N N 9 124.787 124.787 121.957 2.830 19201 1188 1 4 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.185 -0.007 19201 1189 1 4 . 1 1 9 9 LYS C C 9 176.374 176.374 176.747 -0.373 19201 1190 1 4 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.909 -0.339 19201 1191 1 4 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.161 1.325 19201 1192 1 4 . 1 1 9 9 LYS H H 9 8.383 8.383 8.045 0.338 19201 1193 1 4 . 1 1 10 10 CYS N N 10 129.698 129.698 126.771 2.927 19201 1194 1 4 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.809 0.007 19201 1195 1 4 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.241 0.719 19201 1196 1 4 . 1 1 10 10 CYS CB C 10 30.731 30.731 26.617 4.114 19201 1197 1 4 . 1 1 10 10 CYS H H 10 8.999 8.999 9.085 -0.086 19201 1198 1 4 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.426 0.156 19201 1199 1 4 . 1 1 11 11 PRO C C 11 177.219 177.219 176.420 0.799 19201 1200 1 4 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.189 -0.988 19201 1201 1 4 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.359 0.962 19201 1202 1 4 . 1 1 12 12 LEU N N 12 121.846 121.846 116.981 4.865 19201 1203 1 4 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.493 -0.087 19201 1204 1 4 . 1 1 12 12 LEU C C 12 176.492 176.492 177.627 -1.135 19201 1205 1 4 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.514 -0.370 19201 1206 1 4 . 1 1 12 12 LEU CB C 12 43.242 43.242 42.624 0.618 19201 1207 1 4 . 1 1 12 12 LEU H H 12 9.347 9.347 7.951 1.396 19201 1208 1 4 . 1 1 13 13 CYS N N 13 119.509 119.509 113.401 6.108 19201 1209 1 4 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.798 0.143 19201 1210 1 4 . 1 1 13 13 CYS C C 13 173.792 173.792 175.743 -1.951 19201 1211 1 4 . 1 1 13 13 CYS CA C 13 58.541 58.541 57.625 0.916 19201 1212 1 4 . 1 1 13 13 CYS CB C 13 30.889 30.889 30.163 0.726 19201 1213 1 4 . 1 1 13 13 CYS H H 13 7.879 7.879 7.967 -0.088 19201 1214 1 4 . 1 1 14 14 GLU N N 14 114.443 114.443 118.300 -3.857 19201 1215 1 4 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.051 0.113 19201 1216 1 4 . 1 1 14 14 GLU C C 14 175.831 175.831 175.613 0.218 19201 1217 1 4 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.141 0.258 19201 1218 1 4 . 1 1 14 14 GLU CB C 14 28.737 28.737 27.398 1.339 19201 1219 1 4 . 1 1 14 14 GLU H H 14 8.112 8.112 8.800 -0.688 19201 1220 1 4 . 1 1 15 15 LEU N N 15 124.338 124.338 121.123 3.215 19201 1221 1 4 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.272 -0.404 19201 1222 1 4 . 1 1 15 15 LEU C C 15 174.900 174.900 176.269 -1.369 19201 1223 1 4 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.520 1.585 19201 1224 1 4 . 1 1 15 15 LEU CB C 15 43.170 43.170 43.062 0.108 19201 1225 1 4 . 1 1 15 15 LEU H H 15 8.403 8.403 7.407 0.996 19201 1226 1 4 . 1 1 16 16 MET N N 16 121.138 121.138 124.889 -3.751 19201 1227 1 4 . 1 1 16 16 MET HA H 16 4.964 4.964 4.616 0.348 19201 1228 1 4 . 1 1 16 16 MET C C 16 175.457 175.457 175.268 0.189 19201 1229 1 4 . 1 1 16 16 MET CA C 16 53.699 53.699 55.488 -1.789 19201 1230 1 4 . 1 1 16 16 MET CB C 16 34.779 34.779 34.190 0.589 19201 1231 1 4 . 1 1 16 16 MET H H 16 7.738 7.738 8.145 -0.407 19201 1232 1 4 . 1 1 17 17 PHE N N 17 122.417 122.417 125.779 -3.362 19201 1233 1 4 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.919 -0.385 19201 1234 1 4 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.449 0.121 19201 1235 1 4 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.118 0.683 19201 1236 1 4 . 1 1 17 17 PHE H H 17 8.868 8.868 8.303 0.565 19201 1237 1 4 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.905 -0.348 19201 1238 1 4 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.960 0.636 19201 1239 1 4 . 1 1 18 18 PRO CB C 18 31.065 31.065 32.099 -1.034 19201 1240 1 4 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.577 -0.356 19201 1241 1 4 . 1 1 19 19 PRO C C 19 176.899 176.899 175.655 1.244 19201 1242 1 4 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.811 0.362 19201 1243 1 4 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.614 1.216 19201 1244 1 4 . 1 1 20 20 ASN N N 20 113.731 113.731 117.395 -3.664 19201 1245 1 4 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.762 -0.201 19201 1246 1 4 . 1 1 20 20 ASN C C 20 174.737 174.737 174.932 -0.195 19201 1247 1 4 . 1 1 20 20 ASN CA C 20 52.884 52.884 53.090 -0.206 19201 1248 1 4 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.989 -2.718 19201 1249 1 4 . 1 1 20 20 ASN H H 20 8.330 8.330 8.471 -0.141 19201 1250 1 4 . 1 1 21 21 TYR N N 21 121.548 121.548 121.207 0.341 19201 1251 1 4 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.682 -0.478 19201 1252 1 4 . 1 1 21 21 TYR C C 21 174.916 174.916 174.762 0.154 19201 1253 1 4 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.200 1.741 19201 1254 1 4 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.375 0.079 19201 1255 1 4 . 1 1 21 21 TYR H H 21 7.666 7.666 7.936 -0.270 19201 1256 1 4 . 1 1 22 22 ASP N N 22 126.191 126.191 121.065 5.126 19201 1257 1 4 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.538 -0.274 19201 1258 1 4 . 1 1 22 22 ASP C C 22 176.536 176.536 176.286 0.250 19201 1259 1 4 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.663 2.264 19201 1260 1 4 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.027 -0.700 19201 1261 1 4 . 1 1 22 22 ASP H H 22 7.832 7.832 8.438 -0.606 19201 1262 1 4 . 1 1 23 23 GLN N N 23 127.794 127.794 123.410 4.384 19201 1263 1 4 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.290 -0.300 19201 1264 1 4 . 1 1 23 23 GLN C C 23 178.011 178.011 177.987 0.024 19201 1265 1 4 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.179 -0.224 19201 1266 1 4 . 1 1 23 23 GLN CB C 23 27.982 27.982 29.066 -1.084 19201 1267 1 4 . 1 1 23 23 GLN H H 23 8.891 8.891 8.803 0.088 19201 1268 1 4 . 1 1 24 24 SER N N 24 115.542 115.542 114.584 0.958 19201 1269 1 4 . 1 1 24 24 SER HA H 24 4.298 4.298 4.267 0.031 19201 1270 1 4 . 1 1 24 24 SER C C 24 177.419 177.419 176.043 1.376 19201 1271 1 4 . 1 1 24 24 SER CA C 24 61.975 61.975 61.760 0.215 19201 1272 1 4 . 1 1 24 24 SER CB C 24 61.975 61.975 63.101 -1.126 19201 1273 1 4 . 1 1 24 24 SER H H 24 8.479 8.479 8.780 -0.301 19201 1274 1 4 . 1 1 25 25 LYS N N 25 123.099 123.099 122.143 0.956 19201 1275 1 4 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.191 -0.012 19201 1276 1 4 . 1 1 25 25 LYS C C 25 180.064 180.064 178.650 1.414 19201 1277 1 4 . 1 1 25 25 LYS CA C 25 58.305 58.305 57.895 0.410 19201 1278 1 4 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.860 -0.189 19201 1279 1 4 . 1 1 25 25 LYS H H 25 7.734 7.734 7.710 0.024 19201 1280 1 4 . 1 1 26 26 PHE N N 26 123.746 123.746 121.671 2.075 19201 1281 1 4 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.794 0.056 19201 1282 1 4 . 1 1 26 26 PHE C C 26 176.469 176.469 176.970 -0.501 19201 1283 1 4 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.108 0.651 19201 1284 1 4 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.617 0.546 19201 1285 1 4 . 1 1 26 26 PHE H H 26 8.414 8.414 8.280 0.134 19201 1286 1 4 . 1 1 27 27 GLU N N 27 118.957 118.957 118.169 0.788 19201 1287 1 4 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.594 0.147 19201 1288 1 4 . 1 1 27 27 GLU C C 27 178.777 178.777 178.510 0.267 19201 1289 1 4 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.483 0.134 19201 1290 1 4 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.231 -0.549 19201 1291 1 4 . 1 1 27 27 GLU H H 27 8.497 8.497 7.793 0.704 19201 1292 1 4 . 1 1 28 28 GLU N N 28 118.812 118.812 117.435 1.377 19201 1293 1 4 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.040 -0.119 19201 1294 1 4 . 1 1 28 28 GLU C C 28 179.241 179.241 177.705 1.536 19201 1295 1 4 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.759 0.486 19201 1296 1 4 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.430 0.329 19201 1297 1 4 . 1 1 28 28 GLU H H 28 7.967 7.967 7.728 0.239 19201 1298 1 4 . 1 1 29 29 HIS N N 29 118.117 118.117 118.456 -0.339 19201 1299 1 4 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.368 -0.225 19201 1300 1 4 . 1 1 29 29 HIS C C 29 178.484 178.484 177.102 1.382 19201 1301 1 4 . 1 1 29 29 HIS CA C 29 60.355 60.355 57.898 2.458 19201 1302 1 4 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.827 -3.766 19201 1303 1 4 . 1 1 29 29 HIS H H 29 7.791 7.791 7.325 0.466 19201 1304 1 4 . 1 1 30 30 VAL N N 30 122.416 122.416 120.251 2.165 19201 1305 1 4 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.586 -0.178 19201 1306 1 4 . 1 1 30 30 VAL C C 30 178.303 178.303 178.752 -0.449 19201 1307 1 4 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.132 1.744 19201 1308 1 4 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.674 0.093 19201 1309 1 4 . 1 1 30 30 VAL H H 30 8.202 8.202 7.770 0.432 19201 1310 1 4 . 1 1 31 31 GLU N N 31 115.746 115.746 117.786 -2.040 19201 1311 1 4 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.749 -0.024 19201 1312 1 4 . 1 1 31 31 GLU C C 31 178.071 178.071 177.813 0.258 19201 1313 1 4 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.081 -0.054 19201 1314 1 4 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.763 0.008 19201 1315 1 4 . 1 1 31 31 GLU H H 31 7.969 7.969 8.409 -0.440 19201 1316 1 4 . 1 1 32 32 SER N N 32 115.845 115.845 113.658 2.187 19201 1317 1 4 . 1 1 32 32 SER HA H 32 4.223 4.223 4.361 -0.138 19201 1318 1 4 . 1 1 32 32 SER C C 32 174.855 174.855 175.493 -0.638 19201 1319 1 4 . 1 1 32 32 SER CA C 32 60.645 60.645 59.457 1.188 19201 1320 1 4 . 1 1 32 32 SER CB C 32 62.815 62.815 63.243 -0.429 19201 1321 1 4 . 1 1 32 32 SER H H 32 7.584 7.584 7.490 0.094 19201 1322 1 4 . 1 1 33 33 HIS N N 33 118.635 118.635 119.348 -0.713 19201 1323 1 4 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.655 -0.206 19201 1324 1 4 . 1 1 33 33 HIS C C 33 175.524 175.524 175.776 -0.252 19201 1325 1 4 . 1 1 33 33 HIS CA C 33 57.026 57.026 57.924 -0.898 19201 1326 1 4 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.473 -1.169 19201 1327 1 4 . 1 1 33 33 HIS H H 33 7.286 7.286 7.787 -0.501 19201 1328 1 4 . 1 1 34 34 TRP N N 34 121.219 121.219 120.474 0.745 19201 1329 1 4 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.920 -0.584 19201 1330 1 4 . 1 1 34 34 TRP C C 34 175.644 175.644 176.659 -1.015 19201 1331 1 4 . 1 1 34 34 TRP CA C 34 58.324 58.324 56.899 1.425 19201 1332 1 4 . 1 1 34 34 TRP CB C 34 29.262 29.262 29.067 0.195 19201 1333 1 4 . 1 1 34 34 TRP H H 34 7.949 7.949 7.686 0.263 19201 1334 1 4 . 1 1 35 35 LYS N N 35 122.872 122.872 124.203 -1.331 19201 1335 1 4 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.190 0.150 19201 1336 1 4 . 1 1 35 35 LYS C C 35 175.286 175.286 175.718 -0.432 19201 1337 1 4 . 1 1 35 35 LYS CA C 35 55.606 55.606 55.115 0.491 19201 1338 1 4 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.313 2.072 19201 1339 1 4 . 1 1 35 35 LYS H H 35 8.581 8.581 8.584 -0.003 19201 1340 1 4 . 1 1 36 36 VAL N N 36 122.386 122.386 125.576 -3.190 19201 1341 1 4 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.693 0.238 19201 1342 1 4 . 1 1 36 36 VAL C C 36 176.320 176.320 175.871 0.449 19201 1343 1 4 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.235 0.120 19201 1344 1 4 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.154 1.454 19201 1345 1 4 . 1 1 36 36 VAL H H 36 8.313 8.313 8.207 0.106 19201 1346 1 4 . 1 1 37 37 CYS N N 37 130.378 130.378 128.893 1.485 19201 1347 1 4 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.303 -0.399 19201 1348 1 4 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.673 0.787 19201 1349 1 4 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.345 2.293 19201 1350 1 4 . 1 1 37 37 CYS H H 37 9.165 9.165 9.361 -0.196 19201 1351 1 4 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.495 0.088 19201 1352 1 4 . 1 1 38 38 PRO C C 38 176.933 176.933 176.530 0.403 19201 1353 1 4 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.228 -1.008 19201 1354 1 4 . 1 1 38 38 PRO CB C 38 32.315 32.315 32.010 0.305 19201 1355 1 4 . 1 1 39 39 MET N N 39 119.180 119.180 113.869 5.311 19201 1356 1 4 . 1 1 39 39 MET HA H 39 4.534 4.534 4.628 -0.094 19201 1357 1 4 . 1 1 39 39 MET C C 39 176.454 176.454 176.795 -0.341 19201 1358 1 4 . 1 1 39 39 MET CA C 39 55.971 55.971 56.068 -0.097 19201 1359 1 4 . 1 1 39 39 MET CB C 39 32.539 32.539 34.071 -1.532 19201 1360 1 4 . 1 1 39 39 MET H H 39 9.054 9.054 7.601 1.453 19201 1361 1 4 . 1 1 40 40 CYS N N 40 118.414 118.414 117.550 0.864 19201 1362 1 4 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.727 0.296 19201 1363 1 4 . 1 1 40 40 CYS C C 40 175.288 175.288 175.484 -0.196 19201 1364 1 4 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.203 0.367 19201 1365 1 4 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.723 2.978 19201 1366 1 4 . 1 1 40 40 CYS H H 40 8.096 8.096 7.921 0.175 19201 1367 1 4 . 1 1 41 41 SER N N 41 113.638 113.638 113.942 -0.304 19201 1368 1 4 . 1 1 41 41 SER HA H 41 4.291 4.291 4.322 -0.031 19201 1369 1 4 . 1 1 41 41 SER C C 41 173.193 173.193 173.136 0.057 19201 1370 1 4 . 1 1 41 41 SER CA C 41 60.401 60.401 60.111 0.290 19201 1371 1 4 . 1 1 41 41 SER CB C 41 62.177 62.177 62.253 -0.076 19201 1372 1 4 . 1 1 41 41 SER H H 41 7.916 7.916 8.473 -0.557 19201 1373 1 4 . 1 1 42 42 GLU N N 42 124.849 124.849 120.069 4.780 19201 1374 1 4 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.499 -0.580 19201 1375 1 4 . 1 1 42 42 GLU C C 42 174.373 174.373 175.183 -0.810 19201 1376 1 4 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.036 3.314 19201 1377 1 4 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.245 -1.593 19201 1378 1 4 . 1 1 42 42 GLU H H 42 8.483 8.483 8.196 0.287 19201 1379 1 4 . 1 1 43 43 GLN N N 43 122.061 122.061 122.961 -0.900 19201 1380 1 4 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.812 0.230 19201 1381 1 4 . 1 1 43 43 GLN C C 43 175.251 175.251 175.360 -0.109 19201 1382 1 4 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.127 -0.733 19201 1383 1 4 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.399 0.823 19201 1384 1 4 . 1 1 43 43 GLN H H 43 8.047 8.047 8.748 -0.701 19201 1385 1 4 . 1 1 44 44 PHE N N 44 122.827 122.827 124.199 -1.372 19201 1386 1 4 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.708 -0.030 19201 1387 1 4 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.721 -0.727 19201 1388 1 4 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.120 0.788 19201 1389 1 4 . 1 1 44 44 PHE H H 44 9.312 9.312 9.089 0.223 19201 1390 1 4 . 1 1 45 45 PRO HA H 45 3.531 3.531 3.380 0.151 19201 1391 1 4 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.430 -0.219 19201 1392 1 4 . 1 1 45 45 PRO CB C 45 30.889 30.889 30.313 0.576 19201 1393 1 4 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.397 -0.233 19201 1394 1 4 . 1 1 46 46 PRO C C 46 176.621 176.621 177.561 -0.940 19201 1395 1 4 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.385 -0.934 19201 1396 1 4 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.526 0.364 19201 1397 1 4 . 1 1 47 47 ASP N N 47 113.411 113.411 114.265 -0.854 19201 1398 1 4 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.446 0.030 19201 1399 1 4 . 1 1 47 47 ASP C C 47 175.831 175.831 175.230 0.601 19201 1400 1 4 . 1 1 47 47 ASP CA C 47 52.883 52.883 53.638 -0.755 19201 1401 1 4 . 1 1 47 47 ASP CB C 47 39.551 39.551 39.086 0.465 19201 1402 1 4 . 1 1 47 47 ASP H H 47 8.028 8.028 8.556 -0.528 19201 1403 1 4 . 1 1 48 48 TYR N N 48 122.527 122.527 121.916 0.611 19201 1404 1 4 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.290 -0.087 19201 1405 1 4 . 1 1 48 48 TYR C C 48 175.189 175.189 174.432 0.757 19201 1406 1 4 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.843 -0.034 19201 1407 1 4 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.114 0.193 19201 1408 1 4 . 1 1 48 48 TYR H H 48 7.812 7.812 7.596 0.216 19201 1409 1 4 . 1 1 49 49 ASP N N 49 125.426 125.426 125.034 0.392 19201 1410 1 4 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.613 -0.304 19201 1411 1 4 . 1 1 49 49 ASP C C 49 176.996 176.996 177.072 -0.076 19201 1412 1 4 . 1 1 49 49 ASP CA C 49 54.877 54.877 53.963 0.914 19201 1413 1 4 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.324 -1.019 19201 1414 1 4 . 1 1 49 49 ASP H H 49 8.012 8.012 8.216 -0.204 19201 1415 1 4 . 1 1 50 50 GLN N N 50 126.958 126.958 125.608 1.350 19201 1416 1 4 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.051 -0.062 19201 1417 1 4 . 1 1 50 50 GLN C C 50 177.779 177.779 177.981 -0.202 19201 1418 1 4 . 1 1 50 50 GLN CA C 50 58.918 58.918 58.815 0.103 19201 1419 1 4 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.584 -0.327 19201 1420 1 4 . 1 1 50 50 GLN H H 50 8.873 8.873 8.806 0.067 19201 1421 1 4 . 1 1 51 51 GLN N N 51 117.767 117.767 118.461 -0.694 19201 1422 1 4 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.169 -0.016 19201 1423 1 4 . 1 1 51 51 GLN C C 51 179.003 179.003 178.571 0.432 19201 1424 1 4 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.542 0.588 19201 1425 1 4 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.537 -0.167 19201 1426 1 4 . 1 1 51 51 GLN H H 51 8.425 8.425 8.812 -0.387 19201 1427 1 4 . 1 1 52 52 VAL N N 52 122.144 122.144 120.161 1.983 19201 1428 1 4 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.615 -0.052 19201 1429 1 4 . 1 1 52 52 VAL C C 52 179.252 179.252 178.013 1.239 19201 1430 1 4 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.918 0.612 19201 1431 1 4 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.420 0.195 19201 1432 1 4 . 1 1 52 52 VAL H H 52 7.864 7.864 7.521 0.343 19201 1433 1 4 . 1 1 53 53 PHE N N 53 122.104 122.104 120.734 1.370 19201 1434 1 4 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.209 -0.433 19201 1435 1 4 . 1 1 53 53 PHE C C 53 176.497 176.497 177.036 -0.539 19201 1436 1 4 . 1 1 53 53 PHE CA C 53 61.517 61.517 60.936 0.581 19201 1437 1 4 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.102 0.001 19201 1438 1 4 . 1 1 53 53 PHE H H 53 8.291 8.291 8.664 -0.373 19201 1439 1 4 . 1 1 54 54 GLU N N 54 118.755 118.755 119.394 -0.639 19201 1440 1 4 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.913 -0.223 19201 1441 1 4 . 1 1 54 54 GLU C C 54 179.450 179.450 179.377 0.073 19201 1442 1 4 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.789 0.057 19201 1443 1 4 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.804 0.157 19201 1444 1 4 . 1 1 54 54 GLU H H 54 8.613 8.613 8.393 0.220 19201 1445 1 4 . 1 1 55 55 ARG N N 55 119.023 119.023 118.239 0.784 19201 1446 1 4 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.154 -0.147 19201 1447 1 4 . 1 1 55 55 ARG C C 55 178.908 178.908 178.914 -0.006 19201 1448 1 4 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.224 0.926 19201 1449 1 4 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.759 0.087 19201 1450 1 4 . 1 1 55 55 ARG H H 55 8.006 8.006 7.754 0.252 19201 1451 1 4 . 1 1 56 56 HIS N N 56 119.517 119.517 119.871 -0.354 19201 1452 1 4 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.245 -0.133 19201 1453 1 4 . 1 1 56 56 HIS C C 56 178.078 178.078 177.300 0.778 19201 1454 1 4 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.359 0.998 19201 1455 1 4 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.466 -2.649 19201 1456 1 4 . 1 1 56 56 HIS H H 56 7.921 7.921 7.648 0.273 19201 1457 1 4 . 1 1 57 57 VAL N N 57 121.280 121.280 119.139 2.141 19201 1458 1 4 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.650 -0.206 19201 1459 1 4 . 1 1 57 57 VAL C C 57 177.845 177.845 178.391 -0.546 19201 1460 1 4 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.216 2.172 19201 1461 1 4 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.474 0.275 19201 1462 1 4 . 1 1 57 57 VAL H H 57 8.131 8.131 7.959 0.172 19201 1463 1 4 . 1 1 58 58 GLN N N 58 115.274 115.274 115.619 -0.345 19201 1464 1 4 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.434 -0.436 19201 1465 1 4 . 1 1 58 58 GLN C C 58 178.690 178.690 177.690 1.000 19201 1466 1 4 . 1 1 58 58 GLN CA C 58 57.951 57.951 57.374 0.577 19201 1467 1 4 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.486 -0.226 19201 1468 1 4 . 1 1 58 58 GLN H H 58 7.745 7.745 8.264 -0.519 19201 1469 1 4 . 1 1 59 59 THR N N 59 112.271 112.271 116.240 -3.969 19201 1470 1 4 . 1 1 59 59 THR HA H 59 4.078 4.078 4.234 -0.156 19201 1471 1 4 . 1 1 59 59 THR C C 59 176.280 176.280 176.315 -0.035 19201 1472 1 4 . 1 1 59 59 THR CA C 59 65.185 65.185 64.275 0.910 19201 1473 1 4 . 1 1 59 59 THR CB C 59 69.186 69.186 68.883 0.303 19201 1474 1 4 . 1 1 59 59 THR H H 59 7.658 7.658 7.870 -0.212 19201 1475 1 4 . 1 1 60 60 HIS N N 60 117.387 117.387 119.452 -2.065 19201 1476 1 4 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.513 -0.151 19201 1477 1 4 . 1 1 60 60 HIS C C 60 175.307 175.307 176.590 -1.283 19201 1478 1 4 . 1 1 60 60 HIS CA C 60 57.055 57.055 57.904 -0.849 19201 1479 1 4 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.302 -1.116 19201 1480 1 4 . 1 1 60 60 HIS H H 60 7.226 7.226 7.743 -0.517 19201 1481 1 4 . 1 1 61 61 PHE N N 61 118.105 118.105 116.764 1.341 19201 1482 1 4 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.462 0.185 19201 1483 1 4 . 1 1 61 61 PHE C C 61 175.798 175.798 176.736 -0.938 19201 1484 1 4 . 1 1 61 61 PHE CA C 61 57.751 57.751 59.732 -1.981 19201 1485 1 4 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.421 0.148 19201 1486 1 4 . 1 1 61 61 PHE H H 61 7.601 7.601 7.762 -0.161 19201 1487 1 4 . 1 1 62 62 ASP N N 62 120.979 120.979 117.189 3.790 19201 1488 1 4 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.602 -0.025 19201 1489 1 4 . 1 1 62 62 ASP C C 62 176.531 176.531 177.637 -1.106 19201 1490 1 4 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.313 -1.425 19201 1491 1 4 . 1 1 62 62 ASP CB C 62 41.210 41.210 42.175 -0.965 19201 1492 1 4 . 1 1 62 62 ASP H H 62 8.021 8.021 7.892 0.129 19201 1493 1 4 . 1 1 63 63 GLN N N 63 120.043 120.043 114.011 6.032 19201 1494 1 4 . 1 1 63 63 GLN HA H 63 4.271 4.271 4.027 0.244 19201 1495 1 4 . 1 1 63 63 GLN C C 63 175.955 175.955 175.657 0.298 19201 1496 1 4 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.606 -1.459 19201 1497 1 4 . 1 1 63 63 GLN CB C 63 29.184 29.184 26.411 2.773 19201 1498 1 4 . 1 1 63 63 GLN H H 63 8.274 8.274 8.492 -0.218 19201 1499 1 4 . 1 1 64 64 ASN N N 64 119.150 119.150 113.608 5.542 19201 1500 1 4 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.401 0.267 19201 1501 1 4 . 1 1 64 64 ASN C C 64 175.159 175.159 175.124 0.035 19201 1502 1 4 . 1 1 64 64 ASN CA C 64 53.645 53.645 54.738 -1.093 19201 1503 1 4 . 1 1 64 64 ASN CB C 64 38.855 38.855 37.865 0.990 19201 1504 1 4 . 1 1 64 64 ASN H H 64 8.406 8.406 8.855 -0.449 19201 1505 1 4 . 1 1 65 65 VAL N N 65 119.684 119.684 109.855 9.829 19201 1506 1 4 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.573 0.466 19201 1507 1 4 . 1 1 65 65 VAL C C 65 175.835 175.835 174.853 0.982 19201 1508 1 4 . 1 1 65 65 VAL CA C 65 62.523 62.523 64.377 -1.854 19201 1509 1 4 . 1 1 65 65 VAL CB C 65 32.584 32.584 29.748 2.836 19201 1510 1 4 . 1 1 65 65 VAL H H 65 7.904 7.904 7.848 0.056 19201 1511 1 4 . 1 1 66 66 LEU N N 66 124.819 124.819 122.501 2.318 19201 1512 1 4 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.388 -0.121 19201 1513 1 4 . 1 1 66 66 LEU C C 66 176.316 176.316 175.353 0.963 19201 1514 1 4 . 1 1 66 66 LEU CA C 66 54.899 54.899 53.917 0.982 19201 1515 1 4 . 1 1 66 66 LEU CB C 66 42.404 42.404 42.722 -0.318 19201 1516 1 4 . 1 1 66 66 LEU H H 66 8.115 8.115 7.690 0.425 19201 1517 1 4 . 1 1 67 67 ASN N N 67 119.012 119.012 120.275 -1.263 19201 1518 1 4 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.841 -0.206 19201 1519 1 4 . 1 1 67 67 ASN C C 67 174.316 174.316 174.361 -0.045 19201 1520 1 4 . 1 1 67 67 ASN CA C 67 52.964 52.964 52.269 0.695 19201 1521 1 4 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.224 0.352 19201 1522 1 4 . 1 1 67 67 ASN H H 67 8.057 8.057 8.310 -0.253 19201 1523 1 4 . 1 1 68 68 PHE N N 68 121.187 121.187 120.427 0.760 19201 1524 1 4 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.709 -0.055 19201 1525 1 4 . 1 1 68 68 PHE C C 68 174.610 174.610 175.626 -1.016 19201 1526 1 4 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.202 -0.805 19201 1527 1 4 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.426 0.298 19201 1528 1 4 . 1 1 68 68 PHE H H 68 8.208 8.208 8.798 -0.590 19201 1529 1 5 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.373 0.058 19201 1530 1 5 . 1 1 2 2 PRO C C 2 176.542 176.542 176.328 0.214 19201 1531 1 5 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.862 -0.894 19201 1532 1 5 . 1 1 2 2 PRO CB C 2 32.299 32.299 31.974 0.326 19201 1533 1 5 . 1 1 3 3 HIS N N 3 119.528 119.528 114.825 4.703 19201 1534 1 5 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.692 -0.049 19201 1535 1 5 . 1 1 3 3 HIS C C 3 174.598 174.598 173.232 1.366 19201 1536 1 5 . 1 1 3 3 HIS CA C 3 55.726 55.726 55.248 0.478 19201 1537 1 5 . 1 1 3 3 HIS CB C 3 29.495 29.495 31.712 -2.217 19201 1538 1 5 . 1 1 3 3 HIS H H 3 8.651 8.651 7.505 1.146 19201 1539 1 5 . 1 1 4 4 MET N N 4 122.541 122.541 123.559 -1.018 19201 1540 1 5 . 1 1 4 4 MET HA H 4 4.474 4.474 4.676 -0.202 19201 1541 1 5 . 1 1 4 4 MET C C 4 175.419 175.419 174.636 0.783 19201 1542 1 5 . 1 1 4 4 MET CA C 4 55.207 55.207 55.646 -0.439 19201 1543 1 5 . 1 1 4 4 MET CB C 4 33.158 33.158 34.044 -0.886 19201 1544 1 5 . 1 1 4 4 MET H H 4 8.403 8.403 8.686 -0.283 19201 1545 1 5 . 1 1 5 5 ASP N N 5 122.333 122.333 125.134 -2.801 19201 1546 1 5 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.921 -0.296 19201 1547 1 5 . 1 1 5 5 ASP C C 5 175.734 175.734 174.595 1.139 19201 1548 1 5 . 1 1 5 5 ASP CA C 5 54.259 54.259 53.507 0.752 19201 1549 1 5 . 1 1 5 5 ASP CB C 5 41.323 41.323 43.995 -2.672 19201 1550 1 5 . 1 1 5 5 ASP H H 5 8.513 8.513 8.381 0.132 19201 1551 1 5 . 1 1 6 6 VAL N N 6 118.762 118.762 118.539 0.223 19201 1552 1 5 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.219 -0.074 19201 1553 1 5 . 1 1 6 6 VAL C C 6 175.686 175.686 175.882 -0.196 19201 1554 1 5 . 1 1 6 6 VAL CA C 6 61.855 61.855 62.151 -0.296 19201 1555 1 5 . 1 1 6 6 VAL CB C 6 32.997 32.997 32.540 0.457 19201 1556 1 5 . 1 1 6 6 VAL H H 6 8.011 8.011 8.384 -0.373 19201 1557 1 5 . 1 1 7 7 HIS N N 7 121.430 121.430 120.162 1.268 19201 1558 1 5 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.748 -0.249 19201 1559 1 5 . 1 1 7 7 HIS C C 7 174.456 174.456 174.562 -0.106 19201 1560 1 5 . 1 1 7 7 HIS CA C 7 56.097 56.097 55.007 1.090 19201 1561 1 5 . 1 1 7 7 HIS CB C 7 30.624 30.624 28.335 2.289 19201 1562 1 5 . 1 1 7 7 HIS H H 7 8.323 8.323 8.135 0.188 19201 1563 1 5 . 1 1 8 8 LYS N N 8 122.591 122.591 124.321 -1.730 19201 1564 1 5 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.342 -0.021 19201 1565 1 5 . 1 1 8 8 LYS C C 8 174.443 174.443 175.356 -0.913 19201 1566 1 5 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.149 0.747 19201 1567 1 5 . 1 1 8 8 LYS CB C 8 33.984 33.984 31.161 2.823 19201 1568 1 5 . 1 1 8 8 LYS H H 8 8.515 8.515 8.324 0.191 19201 1569 1 5 . 1 1 9 9 LYS N N 9 124.787 124.787 124.110 0.677 19201 1570 1 5 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.014 0.164 19201 1571 1 5 . 1 1 9 9 LYS C C 9 176.374 176.374 176.281 0.093 19201 1572 1 5 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.748 -0.178 19201 1573 1 5 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.101 1.386 19201 1574 1 5 . 1 1 9 9 LYS H H 9 8.383 8.383 7.962 0.421 19201 1575 1 5 . 1 1 10 10 CYS N N 10 129.698 129.698 125.790 3.908 19201 1576 1 5 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.868 -0.052 19201 1577 1 5 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.577 0.383 19201 1578 1 5 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.065 3.666 19201 1579 1 5 . 1 1 10 10 CYS H H 10 8.999 8.999 9.123 -0.124 19201 1580 1 5 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.430 0.152 19201 1581 1 5 . 1 1 11 11 PRO C C 11 177.219 177.219 176.334 0.885 19201 1582 1 5 . 1 1 11 11 PRO CA C 11 64.201 64.201 64.976 -0.775 19201 1583 1 5 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.730 0.591 19201 1584 1 5 . 1 1 12 12 LEU N N 12 121.846 121.846 114.246 7.600 19201 1585 1 5 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.474 -0.068 19201 1586 1 5 . 1 1 12 12 LEU C C 12 176.492 176.492 177.156 -0.664 19201 1587 1 5 . 1 1 12 12 LEU CA C 12 55.144 55.144 54.975 0.169 19201 1588 1 5 . 1 1 12 12 LEU CB C 12 43.242 43.242 42.486 0.756 19201 1589 1 5 . 1 1 12 12 LEU H H 12 9.347 9.347 7.825 1.522 19201 1590 1 5 . 1 1 13 13 CYS N N 13 119.509 119.509 112.584 6.925 19201 1591 1 5 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.853 0.088 19201 1592 1 5 . 1 1 13 13 CYS C C 13 173.792 173.792 175.604 -1.812 19201 1593 1 5 . 1 1 13 13 CYS CA C 13 58.541 58.541 57.566 0.975 19201 1594 1 5 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.956 0.933 19201 1595 1 5 . 1 1 13 13 CYS H H 13 7.879 7.879 7.842 0.037 19201 1596 1 5 . 1 1 14 14 GLU N N 14 114.443 114.443 117.989 -3.546 19201 1597 1 5 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.099 0.065 19201 1598 1 5 . 1 1 14 14 GLU C C 14 175.831 175.831 175.582 0.249 19201 1599 1 5 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.392 0.007 19201 1600 1 5 . 1 1 14 14 GLU CB C 14 28.737 28.737 27.281 1.456 19201 1601 1 5 . 1 1 14 14 GLU H H 14 8.112 8.112 8.945 -0.833 19201 1602 1 5 . 1 1 15 15 LEU N N 15 124.338 124.338 121.060 3.278 19201 1603 1 5 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.309 -0.441 19201 1604 1 5 . 1 1 15 15 LEU C C 15 174.900 174.900 176.154 -1.254 19201 1605 1 5 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.365 1.740 19201 1606 1 5 . 1 1 15 15 LEU CB C 15 43.170 43.170 42.985 0.185 19201 1607 1 5 . 1 1 15 15 LEU H H 15 8.403 8.403 7.457 0.946 19201 1608 1 5 . 1 1 16 16 MET N N 16 121.138 121.138 124.298 -3.160 19201 1609 1 5 . 1 1 16 16 MET HA H 16 4.964 4.964 5.260 -0.296 19201 1610 1 5 . 1 1 16 16 MET C C 16 175.457 175.457 176.186 -0.729 19201 1611 1 5 . 1 1 16 16 MET CA C 16 53.699 53.699 55.488 -1.789 19201 1612 1 5 . 1 1 16 16 MET CB C 16 34.779 34.779 33.807 0.972 19201 1613 1 5 . 1 1 16 16 MET H H 16 7.738 7.738 8.361 -0.623 19201 1614 1 5 . 1 1 17 17 PHE N N 17 122.417 122.417 122.588 -0.171 19201 1615 1 5 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.031 -0.497 19201 1616 1 5 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.656 -0.086 19201 1617 1 5 . 1 1 17 17 PHE CB C 17 39.801 39.801 40.827 -1.026 19201 1618 1 5 . 1 1 17 17 PHE H H 17 8.868 8.868 9.058 -0.190 19201 1619 1 5 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.054 -0.497 19201 1620 1 5 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.855 0.742 19201 1621 1 5 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.830 -0.765 19201 1622 1 5 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.273 -0.052 19201 1623 1 5 . 1 1 19 19 PRO C C 19 176.899 176.899 177.228 -0.329 19201 1624 1 5 . 1 1 19 19 PRO CA C 19 64.173 64.173 65.124 -0.951 19201 1625 1 5 . 1 1 19 19 PRO CB C 19 31.830 31.830 32.019 -0.189 19201 1626 1 5 . 1 1 20 20 ASN N N 20 113.731 113.731 113.862 -0.131 19201 1627 1 5 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.644 -0.083 19201 1628 1 5 . 1 1 20 20 ASN C C 20 174.737 174.737 175.368 -0.631 19201 1629 1 5 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.457 0.427 19201 1630 1 5 . 1 1 20 20 ASN CB C 20 37.271 37.271 38.685 -1.414 19201 1631 1 5 . 1 1 20 20 ASN H H 20 8.330 8.330 8.214 0.116 19201 1632 1 5 . 1 1 21 21 TYR N N 21 121.548 121.548 119.524 2.024 19201 1633 1 5 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.574 -0.370 19201 1634 1 5 . 1 1 21 21 TYR C C 21 174.916 174.916 174.847 0.069 19201 1635 1 5 . 1 1 21 21 TYR CA C 21 58.941 58.941 56.467 2.474 19201 1636 1 5 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.193 0.261 19201 1637 1 5 . 1 1 21 21 TYR H H 21 7.666 7.666 8.171 -0.505 19201 1638 1 5 . 1 1 22 22 ASP N N 22 126.191 126.191 122.055 4.136 19201 1639 1 5 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.662 -0.398 19201 1640 1 5 . 1 1 22 22 ASP C C 22 176.536 176.536 176.954 -0.418 19201 1641 1 5 . 1 1 22 22 ASP CA C 22 54.927 54.927 53.269 1.658 19201 1642 1 5 . 1 1 22 22 ASP CB C 22 42.327 42.327 42.909 -0.582 19201 1643 1 5 . 1 1 22 22 ASP H H 22 7.832 7.832 8.493 -0.661 19201 1644 1 5 . 1 1 23 23 GLN N N 23 127.794 127.794 125.028 2.766 19201 1645 1 5 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.192 -0.202 19201 1646 1 5 . 1 1 23 23 GLN C C 23 178.011 178.011 177.817 0.194 19201 1647 1 5 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.086 -0.131 19201 1648 1 5 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.576 -0.595 19201 1649 1 5 . 1 1 23 23 GLN H H 23 8.891 8.891 8.909 -0.018 19201 1650 1 5 . 1 1 24 24 SER N N 24 115.542 115.542 115.410 0.132 19201 1651 1 5 . 1 1 24 24 SER HA H 24 4.298 4.298 4.166 0.132 19201 1652 1 5 . 1 1 24 24 SER C C 24 177.419 177.419 176.175 1.244 19201 1653 1 5 . 1 1 24 24 SER CA C 24 61.975 61.975 62.165 -0.190 19201 1654 1 5 . 1 1 24 24 SER CB C 24 61.975 61.975 62.610 -0.635 19201 1655 1 5 . 1 1 24 24 SER H H 24 8.479 8.479 8.965 -0.486 19201 1656 1 5 . 1 1 25 25 LYS N N 25 123.099 123.099 122.597 0.502 19201 1657 1 5 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.129 0.050 19201 1658 1 5 . 1 1 25 25 LYS C C 25 180.064 180.064 178.900 1.164 19201 1659 1 5 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.446 -0.141 19201 1660 1 5 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.049 -0.378 19201 1661 1 5 . 1 1 25 25 LYS H H 25 7.734 7.734 7.550 0.184 19201 1662 1 5 . 1 1 26 26 PHE N N 26 123.746 123.746 122.013 1.733 19201 1663 1 5 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.688 0.162 19201 1664 1 5 . 1 1 26 26 PHE C C 26 176.469 176.469 176.988 -0.519 19201 1665 1 5 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.023 0.736 19201 1666 1 5 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.796 0.367 19201 1667 1 5 . 1 1 26 26 PHE H H 26 8.414 8.414 8.710 -0.296 19201 1668 1 5 . 1 1 27 27 GLU N N 27 118.957 118.957 118.207 0.750 19201 1669 1 5 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.710 0.031 19201 1670 1 5 . 1 1 27 27 GLU C C 27 178.777 178.777 179.171 -0.394 19201 1671 1 5 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.270 0.347 19201 1672 1 5 . 1 1 27 27 GLU CB C 27 28.682 28.682 28.751 -0.069 19201 1673 1 5 . 1 1 27 27 GLU H H 27 8.497 8.497 7.896 0.601 19201 1674 1 5 . 1 1 28 28 GLU N N 28 118.812 118.812 118.417 0.395 19201 1675 1 5 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.925 -0.004 19201 1676 1 5 . 1 1 28 28 GLU C C 28 179.241 179.241 178.550 0.691 19201 1677 1 5 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.664 -0.419 19201 1678 1 5 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.186 0.573 19201 1679 1 5 . 1 1 28 28 GLU H H 28 7.967 7.967 8.452 -0.485 19201 1680 1 5 . 1 1 29 29 HIS N N 29 118.117 118.117 119.035 -0.918 19201 1681 1 5 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.302 -0.159 19201 1682 1 5 . 1 1 29 29 HIS C C 29 178.484 178.484 177.692 0.792 19201 1683 1 5 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.293 2.062 19201 1684 1 5 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.236 -3.175 19201 1685 1 5 . 1 1 29 29 HIS H H 29 7.791 7.791 7.332 0.459 19201 1686 1 5 . 1 1 30 30 VAL N N 30 122.416 122.416 118.537 3.879 19201 1687 1 5 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.533 -0.125 19201 1688 1 5 . 1 1 30 30 VAL C C 30 178.303 178.303 177.505 0.798 19201 1689 1 5 . 1 1 30 30 VAL CA C 30 67.875 67.875 65.910 1.965 19201 1690 1 5 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.697 0.070 19201 1691 1 5 . 1 1 30 30 VAL H H 30 8.202 8.202 7.718 0.484 19201 1692 1 5 . 1 1 31 31 GLU N N 31 115.746 115.746 119.032 -3.286 19201 1693 1 5 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.213 0.512 19201 1694 1 5 . 1 1 31 31 GLU C C 31 178.071 178.071 178.627 -0.556 19201 1695 1 5 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.495 -0.468 19201 1696 1 5 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.847 -0.076 19201 1697 1 5 . 1 1 31 31 GLU H H 31 7.969 7.969 8.402 -0.433 19201 1698 1 5 . 1 1 32 32 SER N N 32 115.845 115.845 114.303 1.542 19201 1699 1 5 . 1 1 32 32 SER HA H 32 4.223 4.223 4.417 -0.194 19201 1700 1 5 . 1 1 32 32 SER C C 32 174.855 174.855 174.600 0.255 19201 1701 1 5 . 1 1 32 32 SER CA C 32 60.645 60.645 59.717 0.928 19201 1702 1 5 . 1 1 32 32 SER CB C 32 62.815 62.815 63.271 -0.456 19201 1703 1 5 . 1 1 32 32 SER H H 32 7.584 7.584 7.701 -0.117 19201 1704 1 5 . 1 1 33 33 HIS N N 33 118.635 118.635 119.139 -0.504 19201 1705 1 5 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.627 -0.178 19201 1706 1 5 . 1 1 33 33 HIS C C 33 175.524 175.524 175.295 0.229 19201 1707 1 5 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.188 -1.163 19201 1708 1 5 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.662 -1.359 19201 1709 1 5 . 1 1 33 33 HIS H H 33 7.286 7.286 7.343 -0.057 19201 1710 1 5 . 1 1 34 34 TRP N N 34 121.219 121.219 119.906 1.313 19201 1711 1 5 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.979 -0.643 19201 1712 1 5 . 1 1 34 34 TRP C C 34 175.644 175.644 176.670 -1.026 19201 1713 1 5 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.478 2.846 19201 1714 1 5 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.903 0.359 19201 1715 1 5 . 1 1 34 34 TRP H H 34 7.949 7.949 7.469 0.480 19201 1716 1 5 . 1 1 35 35 LYS N N 35 122.872 122.872 123.844 -0.972 19201 1717 1 5 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.079 0.261 19201 1718 1 5 . 1 1 35 35 LYS C C 35 175.286 175.286 175.551 -0.265 19201 1719 1 5 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.537 1.069 19201 1720 1 5 . 1 1 35 35 LYS CB C 35 33.385 33.385 30.822 2.563 19201 1721 1 5 . 1 1 35 35 LYS H H 35 8.581 8.581 8.542 0.039 19201 1722 1 5 . 1 1 36 36 VAL N N 36 122.386 122.386 124.685 -2.299 19201 1723 1 5 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.664 0.267 19201 1724 1 5 . 1 1 36 36 VAL C C 36 176.320 176.320 175.755 0.565 19201 1725 1 5 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.345 0.010 19201 1726 1 5 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.544 1.062 19201 1727 1 5 . 1 1 36 36 VAL H H 36 8.313 8.313 8.207 0.105 19201 1728 1 5 . 1 1 37 37 CYS N N 37 130.378 130.378 129.067 1.311 19201 1729 1 5 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.121 -0.217 19201 1730 1 5 . 1 1 37 37 CYS CA C 37 57.460 57.460 55.897 1.563 19201 1731 1 5 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.255 2.383 19201 1732 1 5 . 1 1 37 37 CYS H H 37 9.165 9.165 9.302 -0.137 19201 1733 1 5 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.476 0.107 19201 1734 1 5 . 1 1 38 38 PRO C C 38 176.933 176.933 176.525 0.408 19201 1735 1 5 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.574 -1.354 19201 1736 1 5 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.797 0.517 19201 1737 1 5 . 1 1 39 39 MET N N 39 119.180 119.180 115.158 4.022 19201 1738 1 5 . 1 1 39 39 MET HA H 39 4.534 4.534 4.479 0.055 19201 1739 1 5 . 1 1 39 39 MET C C 39 176.454 176.454 177.262 -0.808 19201 1740 1 5 . 1 1 39 39 MET CA C 39 55.971 55.971 56.292 -0.321 19201 1741 1 5 . 1 1 39 39 MET CB C 39 32.539 32.539 32.895 -0.356 19201 1742 1 5 . 1 1 39 39 MET H H 39 9.054 9.054 7.825 1.229 19201 1743 1 5 . 1 1 40 40 CYS N N 40 118.414 118.414 117.496 0.918 19201 1744 1 5 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.626 0.397 19201 1745 1 5 . 1 1 40 40 CYS C C 40 175.288 175.288 176.002 -0.714 19201 1746 1 5 . 1 1 40 40 CYS CA C 40 58.570 58.570 59.252 -0.682 19201 1747 1 5 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.374 3.327 19201 1748 1 5 . 1 1 40 40 CYS H H 40 8.096 8.096 7.535 0.561 19201 1749 1 5 . 1 1 41 41 SER N N 41 113.638 113.638 115.397 -1.759 19201 1750 1 5 . 1 1 41 41 SER HA H 41 4.291 4.291 4.206 0.085 19201 1751 1 5 . 1 1 41 41 SER C C 41 173.193 173.193 173.355 -0.162 19201 1752 1 5 . 1 1 41 41 SER CA C 41 60.401 60.401 60.152 0.249 19201 1753 1 5 . 1 1 41 41 SER CB C 41 62.177 62.177 61.901 0.276 19201 1754 1 5 . 1 1 41 41 SER H H 41 7.916 7.916 8.590 -0.674 19201 1755 1 5 . 1 1 42 42 GLU N N 42 124.849 124.849 120.080 4.769 19201 1756 1 5 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.632 -0.713 19201 1757 1 5 . 1 1 42 42 GLU C C 42 174.373 174.373 174.948 -0.575 19201 1758 1 5 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.095 3.255 19201 1759 1 5 . 1 1 42 42 GLU CB C 42 29.652 29.652 32.356 -2.704 19201 1760 1 5 . 1 1 42 42 GLU H H 42 8.483 8.483 7.848 0.635 19201 1761 1 5 . 1 1 43 43 GLN N N 43 122.061 122.061 122.298 -0.237 19201 1762 1 5 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.901 0.141 19201 1763 1 5 . 1 1 43 43 GLN C C 43 175.251 175.251 175.237 0.014 19201 1764 1 5 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.690 -0.296 19201 1765 1 5 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.959 0.263 19201 1766 1 5 . 1 1 43 43 GLN H H 43 8.047 8.047 8.751 -0.704 19201 1767 1 5 . 1 1 44 44 PHE N N 44 122.827 122.827 123.858 -1.031 19201 1768 1 5 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.664 0.014 19201 1769 1 5 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.885 -0.890 19201 1770 1 5 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.201 0.707 19201 1771 1 5 . 1 1 44 44 PHE H H 44 9.312 9.312 8.960 0.352 19201 1772 1 5 . 1 1 45 45 PRO HA H 45 3.531 3.531 3.976 -0.445 19201 1773 1 5 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.723 -0.512 19201 1774 1 5 . 1 1 45 45 PRO CB C 45 30.889 30.889 30.538 0.351 19201 1775 1 5 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.521 -0.357 19201 1776 1 5 . 1 1 46 46 PRO C C 46 176.621 176.621 177.728 -1.107 19201 1777 1 5 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.527 -1.076 19201 1778 1 5 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.684 0.206 19201 1779 1 5 . 1 1 47 47 ASP N N 47 113.411 113.411 115.221 -1.810 19201 1780 1 5 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.504 -0.028 19201 1781 1 5 . 1 1 47 47 ASP C C 47 175.831 175.831 175.393 0.438 19201 1782 1 5 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.457 -1.574 19201 1783 1 5 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.412 -0.861 19201 1784 1 5 . 1 1 47 47 ASP H H 47 8.028 8.028 8.329 -0.301 19201 1785 1 5 . 1 1 48 48 TYR N N 48 122.527 122.527 121.785 0.742 19201 1786 1 5 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.298 -0.095 19201 1787 1 5 . 1 1 48 48 TYR C C 48 175.189 175.189 174.773 0.416 19201 1788 1 5 . 1 1 48 48 TYR CA C 48 58.809 58.809 59.165 -0.356 19201 1789 1 5 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.172 0.135 19201 1790 1 5 . 1 1 48 48 TYR H H 48 7.812 7.812 7.670 0.142 19201 1791 1 5 . 1 1 49 49 ASP N N 49 125.426 125.426 126.400 -0.974 19201 1792 1 5 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.536 -0.227 19201 1793 1 5 . 1 1 49 49 ASP C C 49 176.996 176.996 177.402 -0.406 19201 1794 1 5 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.414 0.463 19201 1795 1 5 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.587 -0.282 19201 1796 1 5 . 1 1 49 49 ASP H H 49 8.012 8.012 8.308 -0.296 19201 1797 1 5 . 1 1 50 50 GLN N N 50 126.958 126.958 124.347 2.611 19201 1798 1 5 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.113 -0.124 19201 1799 1 5 . 1 1 50 50 GLN C C 50 177.779 177.779 178.409 -0.630 19201 1800 1 5 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.888 -0.970 19201 1801 1 5 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.802 -0.544 19201 1802 1 5 . 1 1 50 50 GLN H H 50 8.873 8.873 8.816 0.057 19201 1803 1 5 . 1 1 51 51 GLN N N 51 117.767 117.767 117.976 -0.209 19201 1804 1 5 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.202 -0.050 19201 1805 1 5 . 1 1 51 51 GLN C C 51 179.003 179.003 178.670 0.333 19201 1806 1 5 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.378 0.752 19201 1807 1 5 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.753 -0.383 19201 1808 1 5 . 1 1 51 51 GLN H H 51 8.425 8.425 8.406 0.019 19201 1809 1 5 . 1 1 52 52 VAL N N 52 122.144 122.144 121.158 0.986 19201 1810 1 5 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.784 -0.221 19201 1811 1 5 . 1 1 52 52 VAL C C 52 179.252 179.252 177.534 1.718 19201 1812 1 5 . 1 1 52 52 VAL CA C 52 66.530 66.530 66.241 0.289 19201 1813 1 5 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.541 0.074 19201 1814 1 5 . 1 1 52 52 VAL H H 52 7.864 7.864 7.722 0.142 19201 1815 1 5 . 1 1 53 53 PHE N N 53 122.104 122.104 121.558 0.546 19201 1816 1 5 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.190 -0.414 19201 1817 1 5 . 1 1 53 53 PHE C C 53 176.497 176.497 176.903 -0.406 19201 1818 1 5 . 1 1 53 53 PHE CA C 53 61.517 61.517 60.445 1.072 19201 1819 1 5 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.386 -0.283 19201 1820 1 5 . 1 1 53 53 PHE H H 53 8.291 8.291 8.702 -0.411 19201 1821 1 5 . 1 1 54 54 GLU N N 54 118.755 118.755 119.145 -0.390 19201 1822 1 5 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.857 -0.167 19201 1823 1 5 . 1 1 54 54 GLU C C 54 179.450 179.450 179.098 0.352 19201 1824 1 5 . 1 1 54 54 GLU CA C 54 59.846 59.846 60.292 -0.446 19201 1825 1 5 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.784 0.177 19201 1826 1 5 . 1 1 54 54 GLU H H 54 8.613 8.613 8.595 0.018 19201 1827 1 5 . 1 1 55 55 ARG N N 55 119.023 119.023 117.859 1.164 19201 1828 1 5 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.149 -0.142 19201 1829 1 5 . 1 1 55 55 ARG C C 55 178.908 178.908 178.813 0.095 19201 1830 1 5 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.846 0.304 19201 1831 1 5 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.567 0.279 19201 1832 1 5 . 1 1 55 55 ARG H H 55 8.006 8.006 7.774 0.232 19201 1833 1 5 . 1 1 56 56 HIS N N 56 119.517 119.517 119.160 0.357 19201 1834 1 5 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.388 -0.276 19201 1835 1 5 . 1 1 56 56 HIS C C 56 178.078 178.078 177.396 0.682 19201 1836 1 5 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.558 0.799 19201 1837 1 5 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.450 -2.633 19201 1838 1 5 . 1 1 56 56 HIS H H 56 7.921 7.921 7.405 0.516 19201 1839 1 5 . 1 1 57 57 VAL N N 57 121.280 121.280 119.537 1.743 19201 1840 1 5 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.459 -0.015 19201 1841 1 5 . 1 1 57 57 VAL C C 57 177.845 177.845 178.433 -0.588 19201 1842 1 5 . 1 1 57 57 VAL CA C 57 67.388 67.388 66.014 1.374 19201 1843 1 5 . 1 1 57 57 VAL CB C 57 31.749 31.749 30.709 1.040 19201 1844 1 5 . 1 1 57 57 VAL H H 57 8.131 8.131 7.915 0.216 19201 1845 1 5 . 1 1 58 58 GLN N N 58 115.274 115.274 117.932 -2.658 19201 1846 1 5 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.257 -0.259 19201 1847 1 5 . 1 1 58 58 GLN C C 58 178.690 178.690 178.900 -0.210 19201 1848 1 5 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.804 -0.853 19201 1849 1 5 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.071 0.189 19201 1850 1 5 . 1 1 58 58 GLN H H 58 7.745 7.745 8.637 -0.892 19201 1851 1 5 . 1 1 59 59 THR N N 59 112.271 112.271 113.581 -1.310 19201 1852 1 5 . 1 1 59 59 THR HA H 59 4.078 4.078 4.178 -0.100 19201 1853 1 5 . 1 1 59 59 THR C C 59 176.280 176.280 175.843 0.437 19201 1854 1 5 . 1 1 59 59 THR CA C 59 65.185 65.185 64.502 0.683 19201 1855 1 5 . 1 1 59 59 THR CB C 59 69.186 69.186 68.446 0.740 19201 1856 1 5 . 1 1 59 59 THR H H 59 7.658 7.658 7.680 -0.022 19201 1857 1 5 . 1 1 60 60 HIS N N 60 117.387 117.387 119.757 -2.370 19201 1858 1 5 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.294 0.068 19201 1859 1 5 . 1 1 60 60 HIS C C 60 175.307 175.307 176.783 -1.476 19201 1860 1 5 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.783 -1.728 19201 1861 1 5 . 1 1 60 60 HIS CB C 60 28.186 28.186 30.026 -1.840 19201 1862 1 5 . 1 1 60 60 HIS H H 60 7.226 7.226 7.738 -0.512 19201 1863 1 5 . 1 1 61 61 PHE N N 61 118.105 118.105 117.042 1.063 19201 1864 1 5 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.454 0.193 19201 1865 1 5 . 1 1 61 61 PHE C C 61 175.798 175.798 176.758 -0.960 19201 1866 1 5 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.339 -2.588 19201 1867 1 5 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.010 0.560 19201 1868 1 5 . 1 1 61 61 PHE H H 61 7.601 7.601 7.767 -0.166 19201 1869 1 5 . 1 1 62 62 ASP N N 62 120.979 120.979 120.033 0.946 19201 1870 1 5 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.504 0.073 19201 1871 1 5 . 1 1 62 62 ASP C C 62 176.531 176.531 177.011 -0.480 19201 1872 1 5 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.103 -1.215 19201 1873 1 5 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.521 -0.311 19201 1874 1 5 . 1 1 62 62 ASP H H 62 8.021 8.021 7.981 0.040 19201 1875 1 5 . 1 1 63 63 GLN N N 63 120.043 120.043 113.778 6.265 19201 1876 1 5 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.858 0.413 19201 1877 1 5 . 1 1 63 63 GLN C C 63 175.955 175.955 175.466 0.489 19201 1878 1 5 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.379 -1.232 19201 1879 1 5 . 1 1 63 63 GLN CB C 63 29.184 29.184 27.113 2.071 19201 1880 1 5 . 1 1 63 63 GLN H H 63 8.274 8.274 8.194 0.080 19201 1881 1 5 . 1 1 64 64 ASN N N 64 119.150 119.150 117.125 2.025 19201 1882 1 5 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.772 -0.104 19201 1883 1 5 . 1 1 64 64 ASN C C 64 175.159 175.159 175.067 0.092 19201 1884 1 5 . 1 1 64 64 ASN CA C 64 53.645 53.645 52.685 0.960 19201 1885 1 5 . 1 1 64 64 ASN CB C 64 38.855 38.855 39.307 -0.452 19201 1886 1 5 . 1 1 64 64 ASN H H 64 8.406 8.406 8.569 -0.163 19201 1887 1 5 . 1 1 65 65 VAL N N 65 119.684 119.684 113.609 6.075 19201 1888 1 5 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.616 0.423 19201 1889 1 5 . 1 1 65 65 VAL C C 65 175.835 175.835 174.661 1.174 19201 1890 1 5 . 1 1 65 65 VAL CA C 65 62.523 62.523 62.824 -0.301 19201 1891 1 5 . 1 1 65 65 VAL CB C 65 32.584 32.584 29.026 3.558 19201 1892 1 5 . 1 1 65 65 VAL H H 65 7.904 7.904 7.381 0.523 19201 1893 1 5 . 1 1 66 66 LEU N N 66 124.819 124.819 122.279 2.540 19201 1894 1 5 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.183 0.084 19201 1895 1 5 . 1 1 66 66 LEU C C 66 176.316 176.316 175.442 0.874 19201 1896 1 5 . 1 1 66 66 LEU CA C 66 54.899 54.899 56.118 -1.219 19201 1897 1 5 . 1 1 66 66 LEU CB C 66 42.404 42.404 40.211 2.193 19201 1898 1 5 . 1 1 66 66 LEU H H 66 8.115 8.115 8.599 -0.484 19201 1899 1 5 . 1 1 67 67 ASN N N 67 119.012 119.012 123.216 -4.204 19201 1900 1 5 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.696 -0.061 19201 1901 1 5 . 1 1 67 67 ASN C C 67 174.316 174.316 174.944 -0.628 19201 1902 1 5 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.648 -0.684 19201 1903 1 5 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.926 -0.350 19201 1904 1 5 . 1 1 67 67 ASN H H 67 8.057 8.057 8.118 -0.061 19201 1905 1 5 . 1 1 68 68 PHE N N 68 121.187 121.187 122.394 -1.207 19201 1906 1 5 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.123 0.531 19201 1907 1 5 . 1 1 68 68 PHE C C 68 174.610 174.610 175.161 -0.551 19201 1908 1 5 . 1 1 68 68 PHE CA C 68 57.397 57.397 59.316 -1.919 19201 1909 1 5 . 1 1 68 68 PHE CB C 68 39.724 39.724 37.986 1.738 19201 1910 1 5 . 1 1 68 68 PHE H H 68 8.208 8.208 8.108 0.100 19201 1911 1 6 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.271 0.160 19201 1912 1 6 . 1 1 2 2 PRO C C 2 176.542 176.542 176.613 -0.071 19201 1913 1 6 . 1 1 2 2 PRO CA C 2 62.968 62.968 64.493 -1.524 19201 1914 1 6 . 1 1 2 2 PRO CB C 2 32.299 32.299 31.967 0.332 19201 1915 1 6 . 1 1 3 3 HIS N N 3 119.528 119.528 109.894 9.634 19201 1916 1 6 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.643 -0.000 19201 1917 1 6 . 1 1 3 3 HIS C C 3 174.598 174.598 173.621 0.977 19201 1918 1 6 . 1 1 3 3 HIS CA C 3 55.726 55.726 55.333 0.393 19201 1919 1 6 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.892 -1.397 19201 1920 1 6 . 1 1 3 3 HIS H H 3 8.651 8.651 7.809 0.842 19201 1921 1 6 . 1 1 4 4 MET N N 4 122.541 122.541 121.733 0.808 19201 1922 1 6 . 1 1 4 4 MET HA H 4 4.474 4.474 4.625 -0.151 19201 1923 1 6 . 1 1 4 4 MET C C 4 175.419 175.419 174.588 0.831 19201 1924 1 6 . 1 1 4 4 MET CA C 4 55.207 55.207 54.897 0.310 19201 1925 1 6 . 1 1 4 4 MET CB C 4 33.158 33.158 32.972 0.186 19201 1926 1 6 . 1 1 4 4 MET H H 4 8.403 8.403 7.568 0.835 19201 1927 1 6 . 1 1 5 5 ASP N N 5 122.333 122.333 125.718 -3.385 19201 1928 1 6 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.790 -0.165 19201 1929 1 6 . 1 1 5 5 ASP C C 5 175.734 175.734 173.925 1.809 19201 1930 1 6 . 1 1 5 5 ASP CA C 5 54.259 54.259 54.941 -0.682 19201 1931 1 6 . 1 1 5 5 ASP CB C 5 41.323 41.323 42.459 -1.136 19201 1932 1 6 . 1 1 5 5 ASP H H 5 8.513 8.513 8.683 -0.170 19201 1933 1 6 . 1 1 6 6 VAL N N 6 118.762 118.762 123.869 -5.107 19201 1934 1 6 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.821 -0.676 19201 1935 1 6 . 1 1 6 6 VAL C C 6 175.686 175.686 174.747 0.939 19201 1936 1 6 . 1 1 6 6 VAL CA C 6 61.855 61.855 59.970 1.885 19201 1937 1 6 . 1 1 6 6 VAL CB C 6 32.997 32.997 32.301 0.696 19201 1938 1 6 . 1 1 6 6 VAL H H 6 8.011 8.011 8.476 -0.465 19201 1939 1 6 . 1 1 7 7 HIS N N 7 121.430 121.430 117.996 3.434 19201 1940 1 6 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.644 -0.145 19201 1941 1 6 . 1 1 7 7 HIS C C 7 174.456 174.456 174.782 -0.326 19201 1942 1 6 . 1 1 7 7 HIS CA C 7 56.097 56.097 55.811 0.286 19201 1943 1 6 . 1 1 7 7 HIS CB C 7 30.624 30.624 29.691 0.933 19201 1944 1 6 . 1 1 7 7 HIS H H 7 8.323 8.323 7.881 0.442 19201 1945 1 6 . 1 1 8 8 LYS N N 8 122.591 122.591 122.084 0.507 19201 1946 1 6 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.486 -0.165 19201 1947 1 6 . 1 1 8 8 LYS C C 8 174.443 174.443 174.970 -0.527 19201 1948 1 6 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.694 1.202 19201 1949 1 6 . 1 1 8 8 LYS CB C 8 33.984 33.984 31.016 2.968 19201 1950 1 6 . 1 1 8 8 LYS H H 8 8.515 8.515 7.726 0.789 19201 1951 1 6 . 1 1 9 9 LYS N N 9 124.787 124.787 122.751 2.036 19201 1952 1 6 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.139 0.039 19201 1953 1 6 . 1 1 9 9 LYS C C 9 176.374 176.374 176.622 -0.248 19201 1954 1 6 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.001 -0.431 19201 1955 1 6 . 1 1 9 9 LYS CB C 9 35.487 35.487 33.388 2.099 19201 1956 1 6 . 1 1 9 9 LYS H H 9 8.383 8.383 8.207 0.176 19201 1957 1 6 . 1 1 10 10 CYS N N 10 129.698 129.698 126.765 2.933 19201 1958 1 6 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.507 0.309 19201 1959 1 6 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.182 0.778 19201 1960 1 6 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.498 3.233 19201 1961 1 6 . 1 1 10 10 CYS H H 10 8.999 8.999 8.945 0.054 19201 1962 1 6 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.330 0.252 19201 1963 1 6 . 1 1 11 11 PRO C C 11 177.219 177.219 176.223 0.996 19201 1964 1 6 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.028 -0.827 19201 1965 1 6 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.471 0.850 19201 1966 1 6 . 1 1 12 12 LEU N N 12 121.846 121.846 117.380 4.466 19201 1967 1 6 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.417 -0.011 19201 1968 1 6 . 1 1 12 12 LEU C C 12 176.492 176.492 177.995 -1.503 19201 1969 1 6 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.813 -0.669 19201 1970 1 6 . 1 1 12 12 LEU CB C 12 43.242 43.242 41.124 2.118 19201 1971 1 6 . 1 1 12 12 LEU H H 12 9.347 9.347 8.055 1.292 19201 1972 1 6 . 1 1 13 13 CYS N N 13 119.509 119.509 112.008 7.501 19201 1973 1 6 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.725 0.216 19201 1974 1 6 . 1 1 13 13 CYS C C 13 173.792 173.792 175.248 -1.456 19201 1975 1 6 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.183 0.358 19201 1976 1 6 . 1 1 13 13 CYS CB C 13 30.889 30.889 30.615 0.274 19201 1977 1 6 . 1 1 13 13 CYS H H 13 7.879 7.879 7.682 0.197 19201 1978 1 6 . 1 1 14 14 GLU N N 14 114.443 114.443 117.719 -3.276 19201 1979 1 6 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.033 0.131 19201 1980 1 6 . 1 1 14 14 GLU C C 14 175.831 175.831 175.152 0.679 19201 1981 1 6 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.257 0.142 19201 1982 1 6 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.801 1.936 19201 1983 1 6 . 1 1 14 14 GLU H H 14 8.112 8.112 8.555 -0.443 19201 1984 1 6 . 1 1 15 15 LEU N N 15 124.338 124.338 120.900 3.438 19201 1985 1 6 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.245 -0.377 19201 1986 1 6 . 1 1 15 15 LEU C C 15 174.900 174.900 175.729 -0.829 19201 1987 1 6 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.426 1.679 19201 1988 1 6 . 1 1 15 15 LEU CB C 15 43.170 43.170 42.951 0.219 19201 1989 1 6 . 1 1 15 15 LEU H H 15 8.403 8.403 7.439 0.964 19201 1990 1 6 . 1 1 16 16 MET N N 16 121.138 121.138 120.727 0.411 19201 1991 1 6 . 1 1 16 16 MET HA H 16 4.964 4.964 5.459 -0.495 19201 1992 1 6 . 1 1 16 16 MET C C 16 175.457 175.457 175.143 0.314 19201 1993 1 6 . 1 1 16 16 MET CA C 16 53.699 53.699 54.100 -0.401 19201 1994 1 6 . 1 1 16 16 MET CB C 16 34.779 34.779 34.981 -0.202 19201 1995 1 6 . 1 1 16 16 MET H H 16 7.738 7.738 7.829 -0.091 19201 1996 1 6 . 1 1 17 17 PHE N N 17 122.417 122.417 122.150 0.267 19201 1997 1 6 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.058 -0.524 19201 1998 1 6 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.530 0.040 19201 1999 1 6 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.700 0.101 19201 2000 1 6 . 1 1 17 17 PHE H H 17 8.868 8.868 9.192 -0.324 19201 2001 1 6 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.352 -0.795 19201 2002 1 6 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.358 1.238 19201 2003 1 6 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.471 -0.406 19201 2004 1 6 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.306 -0.085 19201 2005 1 6 . 1 1 19 19 PRO C C 19 176.899 176.899 177.124 -0.225 19201 2006 1 6 . 1 1 19 19 PRO CA C 19 64.173 64.173 65.573 -1.400 19201 2007 1 6 . 1 1 19 19 PRO CB C 19 31.830 31.830 31.922 -0.092 19201 2008 1 6 . 1 1 20 20 ASN N N 20 113.731 113.731 113.868 -0.137 19201 2009 1 6 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.669 -0.108 19201 2010 1 6 . 1 1 20 20 ASN C C 20 174.737 174.737 175.416 -0.679 19201 2011 1 6 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.196 0.688 19201 2012 1 6 . 1 1 20 20 ASN CB C 20 37.271 37.271 38.560 -1.289 19201 2013 1 6 . 1 1 20 20 ASN H H 20 8.330 8.330 8.275 0.055 19201 2014 1 6 . 1 1 21 21 TYR N N 21 121.548 121.548 120.159 1.389 19201 2015 1 6 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.549 -0.345 19201 2016 1 6 . 1 1 21 21 TYR C C 21 174.916 174.916 174.797 0.119 19201 2017 1 6 . 1 1 21 21 TYR CA C 21 58.941 58.941 56.985 1.956 19201 2018 1 6 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.183 0.271 19201 2019 1 6 . 1 1 21 21 TYR H H 21 7.666 7.666 8.289 -0.623 19201 2020 1 6 . 1 1 22 22 ASP N N 22 126.191 126.191 121.995 4.196 19201 2021 1 6 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.626 -0.362 19201 2022 1 6 . 1 1 22 22 ASP C C 22 176.536 176.536 176.700 -0.164 19201 2023 1 6 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.768 2.159 19201 2024 1 6 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.545 -1.218 19201 2025 1 6 . 1 1 22 22 ASP H H 22 7.832 7.832 8.438 -0.606 19201 2026 1 6 . 1 1 23 23 GLN N N 23 127.794 127.794 123.777 4.017 19201 2027 1 6 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.104 -0.114 19201 2028 1 6 . 1 1 23 23 GLN C C 23 178.011 178.011 178.278 -0.267 19201 2029 1 6 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.220 -0.265 19201 2030 1 6 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.714 -0.732 19201 2031 1 6 . 1 1 23 23 GLN H H 23 8.891 8.891 8.805 0.086 19201 2032 1 6 . 1 1 24 24 SER N N 24 115.542 115.542 114.946 0.596 19201 2033 1 6 . 1 1 24 24 SER HA H 24 4.298 4.298 4.172 0.126 19201 2034 1 6 . 1 1 24 24 SER C C 24 177.419 177.419 176.118 1.301 19201 2035 1 6 . 1 1 24 24 SER CA C 24 61.975 61.975 62.478 -0.503 19201 2036 1 6 . 1 1 24 24 SER CB C 24 61.975 61.975 62.774 -0.799 19201 2037 1 6 . 1 1 24 24 SER H H 24 8.479 8.479 9.081 -0.602 19201 2038 1 6 . 1 1 25 25 LYS N N 25 123.099 123.099 121.273 1.826 19201 2039 1 6 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.212 -0.033 19201 2040 1 6 . 1 1 25 25 LYS C C 25 180.064 180.064 178.759 1.305 19201 2041 1 6 . 1 1 25 25 LYS CA C 25 58.305 58.305 57.972 0.333 19201 2042 1 6 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.825 -0.154 19201 2043 1 6 . 1 1 25 25 LYS H H 25 7.734 7.734 7.850 -0.116 19201 2044 1 6 . 1 1 26 26 PHE N N 26 123.746 123.746 121.167 2.579 19201 2045 1 6 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.944 -0.094 19201 2046 1 6 . 1 1 26 26 PHE C C 26 176.469 176.469 176.599 -0.130 19201 2047 1 6 . 1 1 26 26 PHE CA C 26 61.759 61.759 60.791 0.968 19201 2048 1 6 . 1 1 26 26 PHE CB C 26 39.163 39.163 39.581 -0.418 19201 2049 1 6 . 1 1 26 26 PHE H H 26 8.414 8.414 8.072 0.342 19201 2050 1 6 . 1 1 27 27 GLU N N 27 118.957 118.957 119.439 -0.482 19201 2051 1 6 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.844 -0.103 19201 2052 1 6 . 1 1 27 27 GLU C C 27 178.777 178.777 178.924 -0.147 19201 2053 1 6 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.453 0.164 19201 2054 1 6 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.414 -0.732 19201 2055 1 6 . 1 1 27 27 GLU H H 27 8.497 8.497 8.388 0.109 19201 2056 1 6 . 1 1 28 28 GLU N N 28 118.812 118.812 119.136 -0.324 19201 2057 1 6 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.924 -0.003 19201 2058 1 6 . 1 1 28 28 GLU C C 28 179.241 179.241 178.619 0.622 19201 2059 1 6 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.558 -0.313 19201 2060 1 6 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.373 0.386 19201 2061 1 6 . 1 1 28 28 GLU H H 28 7.967 7.967 8.615 -0.648 19201 2062 1 6 . 1 1 29 29 HIS N N 29 118.117 118.117 119.510 -1.393 19201 2063 1 6 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.404 -0.261 19201 2064 1 6 . 1 1 29 29 HIS C C 29 178.484 178.484 177.338 1.146 19201 2065 1 6 . 1 1 29 29 HIS CA C 29 60.355 60.355 59.166 1.190 19201 2066 1 6 . 1 1 29 29 HIS CB C 29 27.061 27.061 29.961 -2.900 19201 2067 1 6 . 1 1 29 29 HIS H H 29 7.791 7.791 7.373 0.418 19201 2068 1 6 . 1 1 30 30 VAL N N 30 122.416 122.416 120.259 2.157 19201 2069 1 6 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.456 -0.048 19201 2070 1 6 . 1 1 30 30 VAL C C 30 178.303 178.303 177.416 0.887 19201 2071 1 6 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.093 1.782 19201 2072 1 6 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.462 0.305 19201 2073 1 6 . 1 1 30 30 VAL H H 30 8.202 8.202 7.725 0.477 19201 2074 1 6 . 1 1 31 31 GLU N N 31 115.746 115.746 117.034 -1.288 19201 2075 1 6 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.836 0.889 19201 2076 1 6 . 1 1 31 31 GLU C C 31 178.071 178.071 177.191 0.880 19201 2077 1 6 . 1 1 31 31 GLU CA C 31 58.027 58.027 57.892 0.135 19201 2078 1 6 . 1 1 31 31 GLU CB C 31 28.771 28.771 29.072 -0.301 19201 2079 1 6 . 1 1 31 31 GLU H H 31 7.969 7.969 8.052 -0.083 19201 2080 1 6 . 1 1 32 32 SER N N 32 115.845 115.845 111.973 3.872 19201 2081 1 6 . 1 1 32 32 SER HA H 32 4.223 4.223 4.216 0.007 19201 2082 1 6 . 1 1 32 32 SER C C 32 174.855 174.855 174.874 -0.019 19201 2083 1 6 . 1 1 32 32 SER CA C 32 60.645 60.645 60.562 0.083 19201 2084 1 6 . 1 1 32 32 SER CB C 32 62.815 62.815 63.421 -0.606 19201 2085 1 6 . 1 1 32 32 SER H H 32 7.584 7.584 7.240 0.344 19201 2086 1 6 . 1 1 33 33 HIS N N 33 118.635 118.635 118.025 0.610 19201 2087 1 6 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.398 0.051 19201 2088 1 6 . 1 1 33 33 HIS C C 33 175.524 175.524 175.510 0.014 19201 2089 1 6 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.099 -1.073 19201 2090 1 6 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.441 -1.138 19201 2091 1 6 . 1 1 33 33 HIS H H 33 7.286 7.286 7.419 -0.133 19201 2092 1 6 . 1 1 34 34 TRP N N 34 121.219 121.219 119.662 1.557 19201 2093 1 6 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.877 -0.541 19201 2094 1 6 . 1 1 34 34 TRP C C 34 175.644 175.644 176.784 -1.140 19201 2095 1 6 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.094 3.230 19201 2096 1 6 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.511 0.751 19201 2097 1 6 . 1 1 34 34 TRP H H 34 7.949 7.949 7.432 0.517 19201 2098 1 6 . 1 1 35 35 LYS N N 35 122.872 122.872 123.641 -0.769 19201 2099 1 6 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.322 0.018 19201 2100 1 6 . 1 1 35 35 LYS C C 35 175.286 175.286 175.829 -0.543 19201 2101 1 6 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.775 0.831 19201 2102 1 6 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.924 1.461 19201 2103 1 6 . 1 1 35 35 LYS H H 35 8.581 8.581 8.854 -0.273 19201 2104 1 6 . 1 1 36 36 VAL N N 36 122.386 122.386 125.743 -3.357 19201 2105 1 6 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.812 0.119 19201 2106 1 6 . 1 1 36 36 VAL C C 36 176.320 176.320 175.866 0.454 19201 2107 1 6 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.103 0.252 19201 2108 1 6 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.294 1.313 19201 2109 1 6 . 1 1 36 36 VAL H H 36 8.313 8.313 8.383 -0.070 19201 2110 1 6 . 1 1 37 37 CYS N N 37 130.378 130.378 129.202 1.176 19201 2111 1 6 . 1 1 37 37 CYS HA H 37 4.904 4.904 4.963 -0.059 19201 2112 1 6 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.523 0.937 19201 2113 1 6 . 1 1 37 37 CYS CB C 37 30.638 30.638 27.892 2.747 19201 2114 1 6 . 1 1 37 37 CYS H H 37 9.165 9.165 9.281 -0.116 19201 2115 1 6 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.321 0.262 19201 2116 1 6 . 1 1 38 38 PRO C C 38 176.933 176.933 176.882 0.051 19201 2117 1 6 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.941 -1.721 19201 2118 1 6 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.848 0.467 19201 2119 1 6 . 1 1 39 39 MET N N 39 119.180 119.180 114.249 4.931 19201 2120 1 6 . 1 1 39 39 MET HA H 39 4.534 4.534 4.362 0.172 19201 2121 1 6 . 1 1 39 39 MET C C 39 176.454 176.454 177.644 -1.190 19201 2122 1 6 . 1 1 39 39 MET CA C 39 55.971 55.971 56.982 -1.011 19201 2123 1 6 . 1 1 39 39 MET CB C 39 32.539 32.539 32.119 0.420 19201 2124 1 6 . 1 1 39 39 MET H H 39 9.054 9.054 8.107 0.947 19201 2125 1 6 . 1 1 40 40 CYS N N 40 118.414 118.414 116.258 2.156 19201 2126 1 6 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.544 0.479 19201 2127 1 6 . 1 1 40 40 CYS C C 40 175.288 175.288 175.503 -0.215 19201 2128 1 6 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.691 -0.121 19201 2129 1 6 . 1 1 40 40 CYS CB C 40 31.701 31.701 27.747 3.954 19201 2130 1 6 . 1 1 40 40 CYS H H 40 8.096 8.096 7.426 0.670 19201 2131 1 6 . 1 1 41 41 SER N N 41 113.638 113.638 113.179 0.459 19201 2132 1 6 . 1 1 41 41 SER HA H 41 4.291 4.291 4.188 0.103 19201 2133 1 6 . 1 1 41 41 SER C C 41 173.193 173.193 173.009 0.184 19201 2134 1 6 . 1 1 41 41 SER CA C 41 60.401 60.401 59.720 0.681 19201 2135 1 6 . 1 1 41 41 SER CB C 41 62.177 62.177 61.432 0.745 19201 2136 1 6 . 1 1 41 41 SER H H 41 7.916 7.916 8.572 -0.656 19201 2137 1 6 . 1 1 42 42 GLU N N 42 124.849 124.849 119.951 4.898 19201 2138 1 6 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.499 -0.580 19201 2139 1 6 . 1 1 42 42 GLU C C 42 174.373 174.373 175.050 -0.677 19201 2140 1 6 . 1 1 42 42 GLU CA C 42 58.350 58.350 54.915 3.435 19201 2141 1 6 . 1 1 42 42 GLU CB C 42 29.652 29.652 32.060 -2.408 19201 2142 1 6 . 1 1 42 42 GLU H H 42 8.483 8.483 7.723 0.760 19201 2143 1 6 . 1 1 43 43 GLN N N 43 122.061 122.061 122.808 -0.747 19201 2144 1 6 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.450 0.592 19201 2145 1 6 . 1 1 43 43 GLN C C 43 175.251 175.251 175.102 0.149 19201 2146 1 6 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.266 -0.872 19201 2147 1 6 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.167 1.055 19201 2148 1 6 . 1 1 43 43 GLN H H 43 8.047 8.047 8.660 -0.613 19201 2149 1 6 . 1 1 44 44 PHE N N 44 122.827 122.827 124.545 -1.718 19201 2150 1 6 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.639 0.039 19201 2151 1 6 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.934 -0.940 19201 2152 1 6 . 1 1 44 44 PHE CB C 44 39.908 39.908 40.517 -0.609 19201 2153 1 6 . 1 1 44 44 PHE H H 44 9.312 9.312 8.953 0.359 19201 2154 1 6 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.195 -0.664 19201 2155 1 6 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.626 -0.415 19201 2156 1 6 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.398 -0.508 19201 2157 1 6 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.435 -0.271 19201 2158 1 6 . 1 1 46 46 PRO C C 46 176.621 176.621 177.204 -0.583 19201 2159 1 6 . 1 1 46 46 PRO CA C 46 64.451 64.451 64.645 -0.194 19201 2160 1 6 . 1 1 46 46 PRO CB C 46 31.890 31.890 32.057 -0.167 19201 2161 1 6 . 1 1 47 47 ASP N N 47 113.411 113.411 115.768 -2.357 19201 2162 1 6 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.599 -0.123 19201 2163 1 6 . 1 1 47 47 ASP C C 47 175.831 175.831 176.111 -0.280 19201 2164 1 6 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.200 -1.317 19201 2165 1 6 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.953 -1.402 19201 2166 1 6 . 1 1 47 47 ASP H H 47 8.028 8.028 8.388 -0.360 19201 2167 1 6 . 1 1 48 48 TYR N N 48 122.527 122.527 119.705 2.822 19201 2168 1 6 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.435 -0.232 19201 2169 1 6 . 1 1 48 48 TYR C C 48 175.189 175.189 175.131 0.058 19201 2170 1 6 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.260 0.549 19201 2171 1 6 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.828 -0.521 19201 2172 1 6 . 1 1 48 48 TYR H H 48 7.812 7.812 7.655 0.157 19201 2173 1 6 . 1 1 49 49 ASP N N 49 125.426 125.426 119.774 5.652 19201 2174 1 6 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.755 -0.446 19201 2175 1 6 . 1 1 49 49 ASP C C 49 176.996 176.996 176.835 0.161 19201 2176 1 6 . 1 1 49 49 ASP CA C 49 54.877 54.877 53.510 1.367 19201 2177 1 6 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.072 0.233 19201 2178 1 6 . 1 1 49 49 ASP H H 49 8.012 8.012 8.167 -0.155 19201 2179 1 6 . 1 1 50 50 GLN N N 50 126.958 126.958 125.946 1.012 19201 2180 1 6 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.109 -0.120 19201 2181 1 6 . 1 1 50 50 GLN C C 50 177.779 177.779 177.643 0.136 19201 2182 1 6 . 1 1 50 50 GLN CA C 50 58.918 58.918 58.975 -0.057 19201 2183 1 6 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.500 -0.242 19201 2184 1 6 . 1 1 50 50 GLN H H 50 8.873 8.873 8.955 -0.082 19201 2185 1 6 . 1 1 51 51 GLN N N 51 117.767 117.767 119.367 -1.600 19201 2186 1 6 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.139 0.014 19201 2187 1 6 . 1 1 51 51 GLN C C 51 179.003 179.003 178.500 0.503 19201 2188 1 6 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.602 0.528 19201 2189 1 6 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.637 -0.267 19201 2190 1 6 . 1 1 51 51 GLN H H 51 8.425 8.425 8.046 0.379 19201 2191 1 6 . 1 1 52 52 VAL N N 52 122.144 122.144 120.057 2.087 19201 2192 1 6 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.728 -0.165 19201 2193 1 6 . 1 1 52 52 VAL C C 52 179.252 179.252 177.938 1.314 19201 2194 1 6 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.716 0.814 19201 2195 1 6 . 1 1 52 52 VAL CB C 52 31.615 31.615 30.894 0.721 19201 2196 1 6 . 1 1 52 52 VAL H H 52 7.864 7.864 7.817 0.047 19201 2197 1 6 . 1 1 53 53 PHE N N 53 122.104 122.104 122.160 -0.056 19201 2198 1 6 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.025 -0.249 19201 2199 1 6 . 1 1 53 53 PHE C C 53 176.497 176.497 176.837 -0.340 19201 2200 1 6 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.428 0.089 19201 2201 1 6 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.109 -0.006 19201 2202 1 6 . 1 1 53 53 PHE H H 53 8.291 8.291 8.173 0.118 19201 2203 1 6 . 1 1 54 54 GLU N N 54 118.755 118.755 119.613 -0.858 19201 2204 1 6 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.837 -0.147 19201 2205 1 6 . 1 1 54 54 GLU C C 54 179.450 179.450 179.398 0.052 19201 2206 1 6 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.828 0.019 19201 2207 1 6 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.890 0.072 19201 2208 1 6 . 1 1 54 54 GLU H H 54 8.613 8.613 8.807 -0.194 19201 2209 1 6 . 1 1 55 55 ARG N N 55 119.023 119.023 118.466 0.557 19201 2210 1 6 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.126 -0.119 19201 2211 1 6 . 1 1 55 55 ARG C C 55 178.908 178.908 178.772 0.136 19201 2212 1 6 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.262 0.888 19201 2213 1 6 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.719 0.127 19201 2214 1 6 . 1 1 55 55 ARG H H 55 8.006 8.006 8.465 -0.459 19201 2215 1 6 . 1 1 56 56 HIS N N 56 119.517 119.517 120.334 -0.817 19201 2216 1 6 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.372 -0.260 19201 2217 1 6 . 1 1 56 56 HIS C C 56 178.078 178.078 177.978 0.100 19201 2218 1 6 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.468 0.889 19201 2219 1 6 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.425 -2.608 19201 2220 1 6 . 1 1 56 56 HIS H H 56 7.921 7.921 7.740 0.181 19201 2221 1 6 . 1 1 57 57 VAL N N 57 121.280 121.280 120.573 0.707 19201 2222 1 6 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.348 0.096 19201 2223 1 6 . 1 1 57 57 VAL C C 57 177.845 177.845 178.265 -0.420 19201 2224 1 6 . 1 1 57 57 VAL CA C 57 67.388 67.388 66.161 1.227 19201 2225 1 6 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.363 0.386 19201 2226 1 6 . 1 1 57 57 VAL H H 57 8.131 8.131 8.345 -0.214 19201 2227 1 6 . 1 1 58 58 GLN N N 58 115.274 115.274 118.588 -3.314 19201 2228 1 6 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.249 -0.251 19201 2229 1 6 . 1 1 58 58 GLN C C 58 178.690 178.690 178.718 -0.028 19201 2230 1 6 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.828 -0.877 19201 2231 1 6 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.191 0.069 19201 2232 1 6 . 1 1 58 58 GLN H H 58 7.745 7.745 8.423 -0.678 19201 2233 1 6 . 1 1 59 59 THR N N 59 112.271 112.271 111.256 1.015 19201 2234 1 6 . 1 1 59 59 THR HA H 59 4.078 4.078 4.049 0.029 19201 2235 1 6 . 1 1 59 59 THR C C 59 176.280 176.280 175.624 0.656 19201 2236 1 6 . 1 1 59 59 THR CA C 59 65.185 65.185 65.464 -0.279 19201 2237 1 6 . 1 1 59 59 THR CB C 59 69.186 69.186 68.273 0.913 19201 2238 1 6 . 1 1 59 59 THR H H 59 7.658 7.658 7.959 -0.301 19201 2239 1 6 . 1 1 60 60 HIS N N 60 117.387 117.387 119.663 -2.276 19201 2240 1 6 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.235 0.127 19201 2241 1 6 . 1 1 60 60 HIS C C 60 175.307 175.307 176.343 -1.036 19201 2242 1 6 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.505 -1.450 19201 2243 1 6 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.759 -1.573 19201 2244 1 6 . 1 1 60 60 HIS H H 60 7.226 7.226 7.613 -0.387 19201 2245 1 6 . 1 1 61 61 PHE N N 61 118.105 118.105 118.174 -0.069 19201 2246 1 6 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.444 0.203 19201 2247 1 6 . 1 1 61 61 PHE C C 61 175.798 175.798 176.936 -1.138 19201 2248 1 6 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.051 -2.300 19201 2249 1 6 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.381 0.188 19201 2250 1 6 . 1 1 61 61 PHE H H 61 7.601 7.601 7.689 -0.088 19201 2251 1 6 . 1 1 62 62 ASP N N 62 120.979 120.979 119.955 1.024 19201 2252 1 6 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.522 0.055 19201 2253 1 6 . 1 1 62 62 ASP C C 62 176.531 176.531 177.078 -0.547 19201 2254 1 6 . 1 1 62 62 ASP CA C 62 54.888 54.888 55.916 -1.028 19201 2255 1 6 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.832 -0.622 19201 2256 1 6 . 1 1 62 62 ASP H H 62 8.021 8.021 8.424 -0.403 19201 2257 1 6 . 1 1 63 63 GLN N N 63 120.043 120.043 116.295 3.748 19201 2258 1 6 . 1 1 63 63 GLN HA H 63 4.271 4.271 4.138 0.133 19201 2259 1 6 . 1 1 63 63 GLN C C 63 175.955 175.955 174.811 1.144 19201 2260 1 6 . 1 1 63 63 GLN CA C 63 56.147 56.147 56.888 -0.741 19201 2261 1 6 . 1 1 63 63 GLN CB C 63 29.184 29.184 26.865 2.319 19201 2262 1 6 . 1 1 63 63 GLN H H 63 8.274 8.274 8.113 0.161 19201 2263 1 6 . 1 1 64 64 ASN N N 64 119.150 119.150 115.412 3.738 19201 2264 1 6 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.955 -0.287 19201 2265 1 6 . 1 1 64 64 ASN C C 64 175.159 175.159 175.270 -0.111 19201 2266 1 6 . 1 1 64 64 ASN CA C 64 53.645 53.645 53.639 0.006 19201 2267 1 6 . 1 1 64 64 ASN CB C 64 38.855 38.855 40.893 -2.038 19201 2268 1 6 . 1 1 64 64 ASN H H 64 8.406 8.406 8.475 -0.069 19201 2269 1 6 . 1 1 65 65 VAL N N 65 119.684 119.684 123.386 -3.702 19201 2270 1 6 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.756 0.283 19201 2271 1 6 . 1 1 65 65 VAL C C 65 175.835 175.835 175.446 0.389 19201 2272 1 6 . 1 1 65 65 VAL CA C 65 62.523 62.523 64.466 -1.944 19201 2273 1 6 . 1 1 65 65 VAL CB C 65 32.584 32.584 30.245 2.339 19201 2274 1 6 . 1 1 65 65 VAL H H 65 7.904 7.904 9.000 -1.096 19201 2275 1 6 . 1 1 66 66 LEU N N 66 124.819 124.819 120.365 4.454 19201 2276 1 6 . 1 1 66 66 LEU HA H 66 4.267 4.267 3.946 0.321 19201 2277 1 6 . 1 1 66 66 LEU C C 66 176.316 176.316 176.358 -0.042 19201 2278 1 6 . 1 1 66 66 LEU CA C 66 54.899 54.899 55.647 -0.748 19201 2279 1 6 . 1 1 66 66 LEU CB C 66 42.404 42.404 38.922 3.482 19201 2280 1 6 . 1 1 66 66 LEU H H 66 8.115 8.115 8.051 0.064 19201 2281 1 6 . 1 1 67 67 ASN N N 67 119.012 119.012 116.957 2.055 19201 2282 1 6 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.430 0.205 19201 2283 1 6 . 1 1 67 67 ASN C C 67 174.316 174.316 175.933 -1.617 19201 2284 1 6 . 1 1 67 67 ASN CA C 67 52.964 52.964 55.507 -2.543 19201 2285 1 6 . 1 1 67 67 ASN CB C 67 39.576 39.576 38.978 0.598 19201 2286 1 6 . 1 1 67 67 ASN H H 67 8.057 8.057 7.606 0.451 19201 2287 1 6 . 1 1 68 68 PHE N N 68 121.187 121.187 119.883 1.304 19201 2288 1 6 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.636 0.018 19201 2289 1 6 . 1 1 68 68 PHE C C 68 174.610 174.610 175.244 -0.634 19201 2290 1 6 . 1 1 68 68 PHE CA C 68 57.397 57.397 57.507 -0.110 19201 2291 1 6 . 1 1 68 68 PHE CB C 68 39.724 39.724 37.930 1.794 19201 2292 1 6 . 1 1 68 68 PHE H H 68 8.208 8.208 7.829 0.379 19201 2293 1 7 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.283 0.148 19201 2294 1 7 . 1 1 2 2 PRO C C 2 176.542 176.542 176.426 0.116 19201 2295 1 7 . 1 1 2 2 PRO CA C 2 62.968 62.968 64.207 -1.239 19201 2296 1 7 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.025 0.274 19201 2297 1 7 . 1 1 3 3 HIS N N 3 119.528 119.528 114.330 5.198 19201 2298 1 7 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.587 0.056 19201 2299 1 7 . 1 1 3 3 HIS C C 3 174.598 174.598 175.524 -0.926 19201 2300 1 7 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.346 -0.619 19201 2301 1 7 . 1 1 3 3 HIS CB C 3 29.495 29.495 31.398 -1.903 19201 2302 1 7 . 1 1 3 3 HIS H H 3 8.651 8.651 8.205 0.446 19201 2303 1 7 . 1 1 4 4 MET N N 4 122.541 122.541 114.408 8.133 19201 2304 1 7 . 1 1 4 4 MET HA H 4 4.474 4.474 4.435 0.039 19201 2305 1 7 . 1 1 4 4 MET C C 4 175.419 175.419 174.369 1.050 19201 2306 1 7 . 1 1 4 4 MET CA C 4 55.207 55.207 56.549 -1.342 19201 2307 1 7 . 1 1 4 4 MET CB C 4 33.158 33.158 34.202 -1.044 19201 2308 1 7 . 1 1 4 4 MET H H 4 8.403 8.403 8.281 0.122 19201 2309 1 7 . 1 1 5 5 ASP N N 5 122.333 122.333 121.048 1.285 19201 2310 1 7 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.774 -0.149 19201 2311 1 7 . 1 1 5 5 ASP C C 5 175.734 175.734 174.783 0.951 19201 2312 1 7 . 1 1 5 5 ASP CA C 5 54.259 54.259 53.402 0.857 19201 2313 1 7 . 1 1 5 5 ASP CB C 5 41.323 41.323 43.112 -1.789 19201 2314 1 7 . 1 1 5 5 ASP H H 5 8.513 8.513 8.285 0.228 19201 2315 1 7 . 1 1 6 6 VAL N N 6 118.762 118.762 121.164 -2.402 19201 2316 1 7 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.320 -0.175 19201 2317 1 7 . 1 1 6 6 VAL C C 6 175.686 175.686 175.422 0.264 19201 2318 1 7 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.668 0.187 19201 2319 1 7 . 1 1 6 6 VAL CB C 6 32.997 32.997 31.852 1.145 19201 2320 1 7 . 1 1 6 6 VAL H H 6 8.011 8.011 8.140 -0.129 19201 2321 1 7 . 1 1 7 7 HIS N N 7 121.430 121.430 119.536 1.894 19201 2322 1 7 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.659 -0.160 19201 2323 1 7 . 1 1 7 7 HIS C C 7 174.456 174.456 174.453 0.003 19201 2324 1 7 . 1 1 7 7 HIS CA C 7 56.097 56.097 57.016 -0.919 19201 2325 1 7 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.634 -0.009 19201 2326 1 7 . 1 1 7 7 HIS H H 7 8.323 8.323 8.722 -0.399 19201 2327 1 7 . 1 1 8 8 LYS N N 8 122.591 122.591 120.656 1.935 19201 2328 1 7 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.462 -0.141 19201 2329 1 7 . 1 1 8 8 LYS C C 8 174.443 174.443 174.154 0.289 19201 2330 1 7 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.309 0.587 19201 2331 1 7 . 1 1 8 8 LYS CB C 8 33.984 33.984 34.064 -0.080 19201 2332 1 7 . 1 1 8 8 LYS H H 8 8.515 8.515 7.732 0.783 19201 2333 1 7 . 1 1 9 9 LYS N N 9 124.787 124.787 122.997 1.790 19201 2334 1 7 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.549 -0.371 19201 2335 1 7 . 1 1 9 9 LYS C C 9 176.374 176.374 175.923 0.451 19201 2336 1 7 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.326 0.244 19201 2337 1 7 . 1 1 9 9 LYS CB C 9 35.487 35.487 35.127 0.360 19201 2338 1 7 . 1 1 9 9 LYS H H 9 8.383 8.383 8.203 0.180 19201 2339 1 7 . 1 1 10 10 CYS N N 10 129.698 129.698 125.026 4.672 19201 2340 1 7 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.570 0.246 19201 2341 1 7 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.354 0.606 19201 2342 1 7 . 1 1 10 10 CYS CB C 10 30.731 30.731 26.492 4.239 19201 2343 1 7 . 1 1 10 10 CYS H H 10 8.999 8.999 8.932 0.067 19201 2344 1 7 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.614 -0.032 19201 2345 1 7 . 1 1 11 11 PRO C C 11 177.219 177.219 176.111 1.108 19201 2346 1 7 . 1 1 11 11 PRO CA C 11 64.201 64.201 64.738 -0.537 19201 2347 1 7 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.622 0.699 19201 2348 1 7 . 1 1 12 12 LEU N N 12 121.846 121.846 117.556 4.290 19201 2349 1 7 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.432 -0.026 19201 2350 1 7 . 1 1 12 12 LEU C C 12 176.492 176.492 178.316 -1.824 19201 2351 1 7 . 1 1 12 12 LEU CA C 12 55.144 55.144 56.063 -0.919 19201 2352 1 7 . 1 1 12 12 LEU CB C 12 43.242 43.242 40.723 2.519 19201 2353 1 7 . 1 1 12 12 LEU H H 12 9.347 9.347 7.901 1.446 19201 2354 1 7 . 1 1 13 13 CYS N N 13 119.509 119.509 112.915 6.594 19201 2355 1 7 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.751 0.190 19201 2356 1 7 . 1 1 13 13 CYS C C 13 173.792 173.792 175.259 -1.467 19201 2357 1 7 . 1 1 13 13 CYS CA C 13 58.541 58.541 57.660 0.881 19201 2358 1 7 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.973 0.916 19201 2359 1 7 . 1 1 13 13 CYS H H 13 7.879 7.879 7.546 0.333 19201 2360 1 7 . 1 1 14 14 GLU N N 14 114.443 114.443 120.488 -6.045 19201 2361 1 7 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.115 0.049 19201 2362 1 7 . 1 1 14 14 GLU C C 14 175.831 175.831 174.988 0.843 19201 2363 1 7 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.161 0.238 19201 2364 1 7 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.875 1.862 19201 2365 1 7 . 1 1 14 14 GLU H H 14 8.112 8.112 8.475 -0.363 19201 2366 1 7 . 1 1 15 15 LEU N N 15 124.338 124.338 121.685 2.653 19201 2367 1 7 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.787 -0.919 19201 2368 1 7 . 1 1 15 15 LEU C C 15 174.900 174.900 175.189 -0.289 19201 2369 1 7 . 1 1 15 15 LEU CA C 15 57.105 57.105 53.536 3.569 19201 2370 1 7 . 1 1 15 15 LEU CB C 15 43.170 43.170 45.746 -2.576 19201 2371 1 7 . 1 1 15 15 LEU H H 15 8.403 8.403 7.963 0.440 19201 2372 1 7 . 1 1 16 16 MET N N 16 121.138 121.138 124.899 -3.761 19201 2373 1 7 . 1 1 16 16 MET HA H 16 4.964 4.964 4.727 0.237 19201 2374 1 7 . 1 1 16 16 MET C C 16 175.457 175.457 175.183 0.274 19201 2375 1 7 . 1 1 16 16 MET CA C 16 53.699 53.699 55.546 -1.847 19201 2376 1 7 . 1 1 16 16 MET CB C 16 34.779 34.779 33.587 1.192 19201 2377 1 7 . 1 1 16 16 MET H H 16 7.738 7.738 8.488 -0.750 19201 2378 1 7 . 1 1 17 17 PHE N N 17 122.417 122.417 127.106 -4.689 19201 2379 1 7 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.055 -0.521 19201 2380 1 7 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.920 -0.350 19201 2381 1 7 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.267 0.534 19201 2382 1 7 . 1 1 17 17 PHE H H 17 8.868 8.868 8.773 0.095 19201 2383 1 7 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.876 -0.319 19201 2384 1 7 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.461 1.135 19201 2385 1 7 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.189 -0.123 19201 2386 1 7 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.513 -0.292 19201 2387 1 7 . 1 1 19 19 PRO C C 19 176.899 176.899 175.850 1.049 19201 2388 1 7 . 1 1 19 19 PRO CA C 19 64.173 64.173 64.050 0.123 19201 2389 1 7 . 1 1 19 19 PRO CB C 19 31.830 31.830 31.607 0.223 19201 2390 1 7 . 1 1 20 20 ASN N N 20 113.731 113.731 116.088 -2.357 19201 2391 1 7 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.724 -0.163 19201 2392 1 7 . 1 1 20 20 ASN C C 20 174.737 174.737 174.614 0.123 19201 2393 1 7 . 1 1 20 20 ASN CA C 20 52.884 52.884 53.005 -0.122 19201 2394 1 7 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.254 -1.983 19201 2395 1 7 . 1 1 20 20 ASN H H 20 8.330 8.330 8.213 0.117 19201 2396 1 7 . 1 1 21 21 TYR N N 21 121.548 121.548 120.960 0.588 19201 2397 1 7 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.646 -0.442 19201 2398 1 7 . 1 1 21 21 TYR C C 21 174.916 174.916 174.538 0.378 19201 2399 1 7 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.432 1.509 19201 2400 1 7 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.492 -0.039 19201 2401 1 7 . 1 1 21 21 TYR H H 21 7.666 7.666 7.826 -0.160 19201 2402 1 7 . 1 1 22 22 ASP N N 22 126.191 126.191 121.714 4.477 19201 2403 1 7 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.641 -0.377 19201 2404 1 7 . 1 1 22 22 ASP C C 22 176.536 176.536 176.628 -0.092 19201 2405 1 7 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.563 2.364 19201 2406 1 7 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.376 -1.048 19201 2407 1 7 . 1 1 22 22 ASP H H 22 7.832 7.832 8.482 -0.650 19201 2408 1 7 . 1 1 23 23 GLN N N 23 127.794 127.794 123.376 4.418 19201 2409 1 7 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.139 -0.149 19201 2410 1 7 . 1 1 23 23 GLN C C 23 178.011 178.011 178.260 -0.249 19201 2411 1 7 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.014 -0.059 19201 2412 1 7 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.696 -0.714 19201 2413 1 7 . 1 1 23 23 GLN H H 23 8.891 8.891 8.841 0.050 19201 2414 1 7 . 1 1 24 24 SER N N 24 115.542 115.542 113.951 1.591 19201 2415 1 7 . 1 1 24 24 SER HA H 24 4.298 4.298 4.238 0.060 19201 2416 1 7 . 1 1 24 24 SER C C 24 177.419 177.419 176.346 1.073 19201 2417 1 7 . 1 1 24 24 SER CA C 24 61.975 61.975 60.978 0.997 19201 2418 1 7 . 1 1 24 24 SER CB C 24 61.975 61.975 62.939 -0.964 19201 2419 1 7 . 1 1 24 24 SER H H 24 8.479 8.479 8.935 -0.456 19201 2420 1 7 . 1 1 25 25 LYS N N 25 123.099 123.099 121.080 2.019 19201 2421 1 7 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.389 -0.210 19201 2422 1 7 . 1 1 25 25 LYS C C 25 180.064 180.064 179.272 0.792 19201 2423 1 7 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.471 -0.166 19201 2424 1 7 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.994 -0.323 19201 2425 1 7 . 1 1 25 25 LYS H H 25 7.734 7.734 7.884 -0.150 19201 2426 1 7 . 1 1 26 26 PHE N N 26 123.746 123.746 121.089 2.657 19201 2427 1 7 . 1 1 26 26 PHE HA H 26 3.850 3.850 4.388 -0.538 19201 2428 1 7 . 1 1 26 26 PHE C C 26 176.469 176.469 176.782 -0.313 19201 2429 1 7 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.102 0.657 19201 2430 1 7 . 1 1 26 26 PHE CB C 26 39.163 39.163 39.188 -0.025 19201 2431 1 7 . 1 1 26 26 PHE H H 26 8.414 8.414 8.425 -0.011 19201 2432 1 7 . 1 1 27 27 GLU N N 27 118.957 118.957 118.987 -0.030 19201 2433 1 7 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.677 0.064 19201 2434 1 7 . 1 1 27 27 GLU C C 27 178.777 178.777 178.750 0.027 19201 2435 1 7 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.413 0.204 19201 2436 1 7 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.261 -0.579 19201 2437 1 7 . 1 1 27 27 GLU H H 27 8.497 8.497 7.918 0.579 19201 2438 1 7 . 1 1 28 28 GLU N N 28 118.812 118.812 117.313 1.499 19201 2439 1 7 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.165 -0.244 19201 2440 1 7 . 1 1 28 28 GLU C C 28 179.241 179.241 177.573 1.668 19201 2441 1 7 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.555 0.690 19201 2442 1 7 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.542 0.217 19201 2443 1 7 . 1 1 28 28 GLU H H 28 7.967 7.967 7.932 0.035 19201 2444 1 7 . 1 1 29 29 HIS N N 29 118.117 118.117 118.391 -0.274 19201 2445 1 7 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.444 -0.301 19201 2446 1 7 . 1 1 29 29 HIS C C 29 178.484 178.484 177.264 1.220 19201 2447 1 7 . 1 1 29 29 HIS CA C 29 60.355 60.355 57.824 2.531 19201 2448 1 7 . 1 1 29 29 HIS CB C 29 27.061 27.061 31.130 -4.069 19201 2449 1 7 . 1 1 29 29 HIS H H 29 7.791 7.791 7.447 0.344 19201 2450 1 7 . 1 1 30 30 VAL N N 30 122.416 122.416 119.438 2.978 19201 2451 1 7 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.420 -0.012 19201 2452 1 7 . 1 1 30 30 VAL C C 30 178.303 178.303 178.030 0.273 19201 2453 1 7 . 1 1 30 30 VAL CA C 30 67.875 67.875 65.838 2.037 19201 2454 1 7 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.695 0.072 19201 2455 1 7 . 1 1 30 30 VAL H H 30 8.202 8.202 7.835 0.367 19201 2456 1 7 . 1 1 31 31 GLU N N 31 115.746 115.746 116.992 -1.246 19201 2457 1 7 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.147 0.578 19201 2458 1 7 . 1 1 31 31 GLU C C 31 178.071 178.071 176.893 1.178 19201 2459 1 7 . 1 1 31 31 GLU CA C 31 58.027 58.027 57.839 0.188 19201 2460 1 7 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.442 0.329 19201 2461 1 7 . 1 1 31 31 GLU H H 31 7.969 7.969 8.257 -0.288 19201 2462 1 7 . 1 1 32 32 SER N N 32 115.845 115.845 113.749 2.096 19201 2463 1 7 . 1 1 32 32 SER HA H 32 4.223 4.223 4.271 -0.048 19201 2464 1 7 . 1 1 32 32 SER C C 32 174.855 174.855 175.704 -0.849 19201 2465 1 7 . 1 1 32 32 SER CA C 32 60.645 60.645 60.109 0.536 19201 2466 1 7 . 1 1 32 32 SER CB C 32 62.815 62.815 63.563 -0.748 19201 2467 1 7 . 1 1 32 32 SER H H 32 7.584 7.584 7.300 0.284 19201 2468 1 7 . 1 1 33 33 HIS N N 33 118.635 118.635 120.231 -1.596 19201 2469 1 7 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.550 -0.101 19201 2470 1 7 . 1 1 33 33 HIS C C 33 175.524 175.524 176.573 -1.049 19201 2471 1 7 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.582 -1.556 19201 2472 1 7 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.549 -1.246 19201 2473 1 7 . 1 1 33 33 HIS H H 33 7.286 7.286 7.774 -0.488 19201 2474 1 7 . 1 1 34 34 TRP N N 34 121.219 121.219 121.140 0.079 19201 2475 1 7 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.933 -0.597 19201 2476 1 7 . 1 1 34 34 TRP C C 34 175.644 175.644 176.631 -0.987 19201 2477 1 7 . 1 1 34 34 TRP CA C 34 58.324 58.324 56.065 2.259 19201 2478 1 7 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.187 1.075 19201 2479 1 7 . 1 1 34 34 TRP H H 34 7.949 7.949 7.680 0.269 19201 2480 1 7 . 1 1 35 35 LYS N N 35 122.872 122.872 124.367 -1.495 19201 2481 1 7 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.383 -0.043 19201 2482 1 7 . 1 1 35 35 LYS C C 35 175.286 175.286 175.704 -0.418 19201 2483 1 7 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.454 1.152 19201 2484 1 7 . 1 1 35 35 LYS CB C 35 33.385 33.385 32.503 0.882 19201 2485 1 7 . 1 1 35 35 LYS H H 35 8.581 8.581 8.938 -0.357 19201 2486 1 7 . 1 1 36 36 VAL N N 36 122.386 122.386 125.205 -2.819 19201 2487 1 7 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.926 0.005 19201 2488 1 7 . 1 1 36 36 VAL C C 36 176.320 176.320 176.040 0.280 19201 2489 1 7 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.024 0.331 19201 2490 1 7 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.407 1.200 19201 2491 1 7 . 1 1 36 36 VAL H H 36 8.313 8.313 8.511 -0.198 19201 2492 1 7 . 1 1 37 37 CYS N N 37 130.378 130.378 128.748 1.630 19201 2493 1 7 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.004 -0.100 19201 2494 1 7 . 1 1 37 37 CYS CA C 37 57.460 57.460 55.688 1.772 19201 2495 1 7 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.025 2.613 19201 2496 1 7 . 1 1 37 37 CYS H H 37 9.165 9.165 9.167 -0.002 19201 2497 1 7 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.471 0.112 19201 2498 1 7 . 1 1 38 38 PRO C C 38 176.933 176.933 176.412 0.521 19201 2499 1 7 . 1 1 38 38 PRO CA C 38 64.220 64.220 64.636 -0.416 19201 2500 1 7 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.712 0.603 19201 2501 1 7 . 1 1 39 39 MET N N 39 119.180 119.180 114.223 4.957 19201 2502 1 7 . 1 1 39 39 MET HA H 39 4.534 4.534 4.624 -0.090 19201 2503 1 7 . 1 1 39 39 MET C C 39 176.454 176.454 175.579 0.875 19201 2504 1 7 . 1 1 39 39 MET CA C 39 55.971 55.971 55.613 0.358 19201 2505 1 7 . 1 1 39 39 MET CB C 39 32.539 32.539 33.443 -0.904 19201 2506 1 7 . 1 1 39 39 MET H H 39 9.054 9.054 7.577 1.477 19201 2507 1 7 . 1 1 40 40 CYS N N 40 118.414 118.414 117.364 1.050 19201 2508 1 7 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.656 0.367 19201 2509 1 7 . 1 1 40 40 CYS C C 40 175.288 175.288 175.228 0.060 19201 2510 1 7 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.643 -0.073 19201 2511 1 7 . 1 1 40 40 CYS CB C 40 31.701 31.701 29.549 2.152 19201 2512 1 7 . 1 1 40 40 CYS H H 40 8.096 8.096 7.876 0.220 19201 2513 1 7 . 1 1 41 41 SER N N 41 113.638 113.638 113.874 -0.236 19201 2514 1 7 . 1 1 41 41 SER HA H 41 4.291 4.291 4.205 0.086 19201 2515 1 7 . 1 1 41 41 SER C C 41 173.193 173.193 173.171 0.022 19201 2516 1 7 . 1 1 41 41 SER CA C 41 60.401 60.401 59.881 0.520 19201 2517 1 7 . 1 1 41 41 SER CB C 41 62.177 62.177 61.498 0.679 19201 2518 1 7 . 1 1 41 41 SER H H 41 7.916 7.916 8.689 -0.773 19201 2519 1 7 . 1 1 42 42 GLU N N 42 124.849 124.849 120.031 4.818 19201 2520 1 7 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.440 -0.521 19201 2521 1 7 . 1 1 42 42 GLU C C 42 174.373 174.373 174.949 -0.576 19201 2522 1 7 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.076 3.274 19201 2523 1 7 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.569 -1.917 19201 2524 1 7 . 1 1 42 42 GLU H H 42 8.483 8.483 7.879 0.604 19201 2525 1 7 . 1 1 43 43 GLN N N 43 122.061 122.061 122.533 -0.472 19201 2526 1 7 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.685 0.357 19201 2527 1 7 . 1 1 43 43 GLN C C 43 175.251 175.251 174.988 0.263 19201 2528 1 7 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.879 -0.485 19201 2529 1 7 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.634 0.589 19201 2530 1 7 . 1 1 43 43 GLN H H 43 8.047 8.047 8.613 -0.566 19201 2531 1 7 . 1 1 44 44 PHE N N 44 122.827 122.827 123.809 -0.982 19201 2532 1 7 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.619 0.059 19201 2533 1 7 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.608 -0.615 19201 2534 1 7 . 1 1 44 44 PHE CB C 44 39.908 39.908 40.901 -0.993 19201 2535 1 7 . 1 1 44 44 PHE H H 44 9.312 9.312 9.048 0.264 19201 2536 1 7 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.269 -0.738 19201 2537 1 7 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.736 -0.525 19201 2538 1 7 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.299 -0.409 19201 2539 1 7 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.403 -0.239 19201 2540 1 7 . 1 1 46 46 PRO C C 46 176.621 176.621 176.238 0.383 19201 2541 1 7 . 1 1 46 46 PRO CA C 46 64.451 64.451 64.894 -0.444 19201 2542 1 7 . 1 1 46 46 PRO CB C 46 31.890 31.890 32.065 -0.175 19201 2543 1 7 . 1 1 47 47 ASP N N 47 113.411 113.411 116.942 -3.531 19201 2544 1 7 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.645 -0.169 19201 2545 1 7 . 1 1 47 47 ASP C C 47 175.831 175.831 175.483 0.348 19201 2546 1 7 . 1 1 47 47 ASP CA C 47 52.883 52.883 53.856 -0.973 19201 2547 1 7 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.492 -0.941 19201 2548 1 7 . 1 1 47 47 ASP H H 47 8.028 8.028 8.161 -0.133 19201 2549 1 7 . 1 1 48 48 TYR N N 48 122.527 122.527 121.331 1.196 19201 2550 1 7 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.405 -0.202 19201 2551 1 7 . 1 1 48 48 TYR C C 48 175.189 175.189 174.914 0.275 19201 2552 1 7 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.961 -0.152 19201 2553 1 7 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.526 -0.219 19201 2554 1 7 . 1 1 48 48 TYR H H 48 7.812 7.812 7.581 0.231 19201 2555 1 7 . 1 1 49 49 ASP N N 49 125.426 125.426 124.598 0.828 19201 2556 1 7 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.599 -0.290 19201 2557 1 7 . 1 1 49 49 ASP C C 49 176.996 176.996 177.191 -0.195 19201 2558 1 7 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.460 0.417 19201 2559 1 7 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.567 -0.262 19201 2560 1 7 . 1 1 49 49 ASP H H 49 8.012 8.012 8.088 -0.076 19201 2561 1 7 . 1 1 50 50 GLN N N 50 126.958 126.958 125.769 1.189 19201 2562 1 7 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.095 -0.106 19201 2563 1 7 . 1 1 50 50 GLN C C 50 177.779 177.779 177.812 -0.033 19201 2564 1 7 . 1 1 50 50 GLN CA C 50 58.918 58.918 58.727 0.191 19201 2565 1 7 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.616 -0.358 19201 2566 1 7 . 1 1 50 50 GLN H H 50 8.873 8.873 8.771 0.102 19201 2567 1 7 . 1 1 51 51 GLN N N 51 117.767 117.767 119.801 -2.034 19201 2568 1 7 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.138 0.015 19201 2569 1 7 . 1 1 51 51 GLN C C 51 179.003 179.003 178.346 0.657 19201 2570 1 7 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.693 0.437 19201 2571 1 7 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.081 0.289 19201 2572 1 7 . 1 1 51 51 GLN H H 51 8.425 8.425 8.865 -0.440 19201 2573 1 7 . 1 1 52 52 VAL N N 52 122.144 122.144 119.790 2.354 19201 2574 1 7 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.793 -0.230 19201 2575 1 7 . 1 1 52 52 VAL C C 52 179.252 179.252 178.343 0.909 19201 2576 1 7 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.731 0.799 19201 2577 1 7 . 1 1 52 52 VAL CB C 52 31.615 31.615 30.611 1.004 19201 2578 1 7 . 1 1 52 52 VAL H H 52 7.864 7.864 7.836 0.028 19201 2579 1 7 . 1 1 53 53 PHE N N 53 122.104 122.104 122.167 -0.063 19201 2580 1 7 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.118 -0.342 19201 2581 1 7 . 1 1 53 53 PHE C C 53 176.497 176.497 177.091 -0.594 19201 2582 1 7 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.840 -0.323 19201 2583 1 7 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.224 -0.121 19201 2584 1 7 . 1 1 53 53 PHE H H 53 8.291 8.291 8.749 -0.458 19201 2585 1 7 . 1 1 54 54 GLU N N 54 118.755 118.755 119.572 -0.817 19201 2586 1 7 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.855 -0.165 19201 2587 1 7 . 1 1 54 54 GLU C C 54 179.450 179.450 179.162 0.288 19201 2588 1 7 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.977 -0.131 19201 2589 1 7 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.387 -0.426 19201 2590 1 7 . 1 1 54 54 GLU H H 54 8.613 8.613 8.946 -0.333 19201 2591 1 7 . 1 1 55 55 ARG N N 55 119.023 119.023 118.346 0.677 19201 2592 1 7 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.167 -0.160 19201 2593 1 7 . 1 1 55 55 ARG C C 55 178.908 178.908 178.851 0.057 19201 2594 1 7 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.153 0.997 19201 2595 1 7 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.641 0.205 19201 2596 1 7 . 1 1 55 55 ARG H H 55 8.006 8.006 8.217 -0.211 19201 2597 1 7 . 1 1 56 56 HIS N N 56 119.517 119.517 120.325 -0.808 19201 2598 1 7 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.346 -0.234 19201 2599 1 7 . 1 1 56 56 HIS C C 56 178.078 178.078 177.641 0.437 19201 2600 1 7 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.801 0.556 19201 2601 1 7 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.675 -2.858 19201 2602 1 7 . 1 1 56 56 HIS H H 56 7.921 7.921 8.044 -0.123 19201 2603 1 7 . 1 1 57 57 VAL N N 57 121.280 121.280 119.363 1.917 19201 2604 1 7 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.385 0.059 19201 2605 1 7 . 1 1 57 57 VAL C C 57 177.845 177.845 178.342 -0.497 19201 2606 1 7 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.851 1.537 19201 2607 1 7 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.531 0.218 19201 2608 1 7 . 1 1 57 57 VAL H H 57 8.131 8.131 8.158 -0.027 19201 2609 1 7 . 1 1 58 58 GLN N N 58 115.274 115.274 117.407 -2.133 19201 2610 1 7 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.301 -0.303 19201 2611 1 7 . 1 1 58 58 GLN C C 58 178.690 178.690 178.402 0.288 19201 2612 1 7 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.369 -0.418 19201 2613 1 7 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.136 0.124 19201 2614 1 7 . 1 1 58 58 GLN H H 58 7.745 7.745 8.415 -0.670 19201 2615 1 7 . 1 1 59 59 THR N N 59 112.271 112.271 114.649 -2.378 19201 2616 1 7 . 1 1 59 59 THR HA H 59 4.078 4.078 4.152 -0.074 19201 2617 1 7 . 1 1 59 59 THR C C 59 176.280 176.280 176.309 -0.029 19201 2618 1 7 . 1 1 59 59 THR CA C 59 65.185 65.185 64.447 0.738 19201 2619 1 7 . 1 1 59 59 THR CB C 59 69.186 69.186 68.776 0.410 19201 2620 1 7 . 1 1 59 59 THR H H 59 7.658 7.658 8.069 -0.411 19201 2621 1 7 . 1 1 60 60 HIS N N 60 117.387 117.387 119.561 -2.174 19201 2622 1 7 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.303 0.059 19201 2623 1 7 . 1 1 60 60 HIS C C 60 175.307 175.307 176.081 -0.774 19201 2624 1 7 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.761 -1.706 19201 2625 1 7 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.901 -1.714 19201 2626 1 7 . 1 1 60 60 HIS H H 60 7.226 7.226 7.735 -0.509 19201 2627 1 7 . 1 1 61 61 PHE N N 61 118.105 118.105 118.078 0.027 19201 2628 1 7 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.491 0.156 19201 2629 1 7 . 1 1 61 61 PHE C C 61 175.798 175.798 177.084 -1.286 19201 2630 1 7 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.628 -2.877 19201 2631 1 7 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.303 0.266 19201 2632 1 7 . 1 1 61 61 PHE H H 61 7.601 7.601 7.455 0.146 19201 2633 1 7 . 1 1 62 62 ASP N N 62 120.979 120.979 119.742 1.237 19201 2634 1 7 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.395 0.182 19201 2635 1 7 . 1 1 62 62 ASP C C 62 176.531 176.531 177.072 -0.541 19201 2636 1 7 . 1 1 62 62 ASP CA C 62 54.888 54.888 57.133 -2.245 19201 2637 1 7 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.540 -0.330 19201 2638 1 7 . 1 1 62 62 ASP H H 62 8.021 8.021 8.451 -0.430 19201 2639 1 7 . 1 1 63 63 GLN N N 63 120.043 120.043 113.904 6.139 19201 2640 1 7 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.957 0.314 19201 2641 1 7 . 1 1 63 63 GLN C C 63 175.955 175.955 174.559 1.396 19201 2642 1 7 . 1 1 63 63 GLN CA C 63 56.147 56.147 56.926 -0.779 19201 2643 1 7 . 1 1 63 63 GLN CB C 63 29.184 29.184 27.037 2.147 19201 2644 1 7 . 1 1 63 63 GLN H H 63 8.274 8.274 8.294 -0.020 19201 2645 1 7 . 1 1 64 64 ASN N N 64 119.150 119.150 112.870 6.280 19201 2646 1 7 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.481 0.186 19201 2647 1 7 . 1 1 64 64 ASN C C 64 175.159 175.159 175.520 -0.361 19201 2648 1 7 . 1 1 64 64 ASN CA C 64 53.645 53.645 53.991 -0.346 19201 2649 1 7 . 1 1 64 64 ASN CB C 64 38.855 38.855 37.704 1.151 19201 2650 1 7 . 1 1 64 64 ASN H H 64 8.406 8.406 8.327 0.079 19201 2651 1 7 . 1 1 65 65 VAL N N 65 119.684 119.684 110.924 8.760 19201 2652 1 7 . 1 1 65 65 VAL HA H 65 4.039 4.039 4.063 -0.024 19201 2653 1 7 . 1 1 65 65 VAL C C 65 175.835 175.835 175.713 0.122 19201 2654 1 7 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.301 -0.778 19201 2655 1 7 . 1 1 65 65 VAL CB C 65 32.584 32.584 31.579 1.005 19201 2656 1 7 . 1 1 65 65 VAL H H 65 7.904 7.904 7.827 0.077 19201 2657 1 7 . 1 1 66 66 LEU N N 66 124.819 124.819 123.653 1.166 19201 2658 1 7 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.503 -0.236 19201 2659 1 7 . 1 1 66 66 LEU C C 66 176.316 176.316 176.629 -0.313 19201 2660 1 7 . 1 1 66 66 LEU CA C 66 54.899 54.899 54.111 0.787 19201 2661 1 7 . 1 1 66 66 LEU CB C 66 42.404 42.404 39.857 2.547 19201 2662 1 7 . 1 1 66 66 LEU H H 66 8.115 8.115 7.857 0.258 19201 2663 1 7 . 1 1 67 67 ASN N N 67 119.012 119.012 122.860 -3.848 19201 2664 1 7 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.697 -0.062 19201 2665 1 7 . 1 1 67 67 ASN C C 67 174.316 174.316 175.497 -1.181 19201 2666 1 7 . 1 1 67 67 ASN CA C 67 52.964 52.964 52.955 0.009 19201 2667 1 7 . 1 1 67 67 ASN CB C 67 39.576 39.576 37.829 1.747 19201 2668 1 7 . 1 1 67 67 ASN H H 67 8.057 8.057 8.726 -0.669 19201 2669 1 7 . 1 1 68 68 PHE N N 68 121.187 121.187 120.437 0.750 19201 2670 1 7 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.483 0.171 19201 2671 1 7 . 1 1 68 68 PHE C C 68 174.610 174.610 175.325 -0.715 19201 2672 1 7 . 1 1 68 68 PHE CA C 68 57.397 57.397 59.080 -1.683 19201 2673 1 7 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.659 0.065 19201 2674 1 7 . 1 1 68 68 PHE H H 68 8.208 8.208 8.139 0.069 19201 2675 1 8 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.397 0.034 19201 2676 1 8 . 1 1 2 2 PRO C C 2 176.542 176.542 176.130 0.412 19201 2677 1 8 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.208 -0.240 19201 2678 1 8 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.192 0.107 19201 2679 1 8 . 1 1 3 3 HIS N N 3 119.528 119.528 121.729 -2.201 19201 2680 1 8 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.493 0.150 19201 2681 1 8 . 1 1 3 3 HIS C C 3 174.598 174.598 175.618 -1.020 19201 2682 1 8 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.656 -0.930 19201 2683 1 8 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.516 -1.021 19201 2684 1 8 . 1 1 3 3 HIS H H 3 8.651 8.651 8.189 0.462 19201 2685 1 8 . 1 1 4 4 MET N N 4 122.541 122.541 120.887 1.654 19201 2686 1 8 . 1 1 4 4 MET HA H 4 4.474 4.474 4.504 -0.030 19201 2687 1 8 . 1 1 4 4 MET C C 4 175.419 175.419 175.414 0.005 19201 2688 1 8 . 1 1 4 4 MET CA C 4 55.207 55.207 54.321 0.886 19201 2689 1 8 . 1 1 4 4 MET CB C 4 33.158 33.158 30.575 2.583 19201 2690 1 8 . 1 1 4 4 MET H H 4 8.403 8.403 7.956 0.447 19201 2691 1 8 . 1 1 5 5 ASP N N 5 122.333 122.333 125.625 -3.292 19201 2692 1 8 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.824 -0.199 19201 2693 1 8 . 1 1 5 5 ASP C C 5 175.734 175.734 174.652 1.082 19201 2694 1 8 . 1 1 5 5 ASP CA C 5 54.259 54.259 53.747 0.512 19201 2695 1 8 . 1 1 5 5 ASP CB C 5 41.323 41.323 41.640 -0.317 19201 2696 1 8 . 1 1 5 5 ASP H H 5 8.513 8.513 8.222 0.291 19201 2697 1 8 . 1 1 6 6 VAL N N 6 118.762 118.762 125.315 -6.553 19201 2698 1 8 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.684 -0.539 19201 2699 1 8 . 1 1 6 6 VAL C C 6 175.686 175.686 175.033 0.653 19201 2700 1 8 . 1 1 6 6 VAL CA C 6 61.855 61.855 60.529 1.326 19201 2701 1 8 . 1 1 6 6 VAL CB C 6 32.997 32.997 33.102 -0.105 19201 2702 1 8 . 1 1 6 6 VAL H H 6 8.011 8.011 8.539 -0.528 19201 2703 1 8 . 1 1 7 7 HIS N N 7 121.430 121.430 117.377 4.053 19201 2704 1 8 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.753 -0.254 19201 2705 1 8 . 1 1 7 7 HIS C C 7 174.456 174.456 175.038 -0.582 19201 2706 1 8 . 1 1 7 7 HIS CA C 7 56.097 56.097 55.414 0.683 19201 2707 1 8 . 1 1 7 7 HIS CB C 7 30.624 30.624 29.967 0.657 19201 2708 1 8 . 1 1 7 7 HIS H H 7 8.323 8.323 7.461 0.862 19201 2709 1 8 . 1 1 8 8 LYS N N 8 122.591 122.591 122.023 0.568 19201 2710 1 8 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.322 -0.001 19201 2711 1 8 . 1 1 8 8 LYS C C 8 174.443 174.443 174.935 -0.492 19201 2712 1 8 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.571 1.325 19201 2713 1 8 . 1 1 8 8 LYS CB C 8 33.984 33.984 31.386 2.598 19201 2714 1 8 . 1 1 8 8 LYS H H 8 8.515 8.515 8.005 0.510 19201 2715 1 8 . 1 1 9 9 LYS N N 9 124.787 124.787 121.894 2.893 19201 2716 1 8 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.304 -0.126 19201 2717 1 8 . 1 1 9 9 LYS C C 9 176.374 176.374 176.940 -0.566 19201 2718 1 8 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.523 0.047 19201 2719 1 8 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.654 0.833 19201 2720 1 8 . 1 1 9 9 LYS H H 9 8.383 8.383 8.216 0.167 19201 2721 1 8 . 1 1 10 10 CYS N N 10 129.698 129.698 124.190 5.508 19201 2722 1 8 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.613 0.203 19201 2723 1 8 . 1 1 10 10 CYS CA C 10 57.960 57.960 59.777 -1.817 19201 2724 1 8 . 1 1 10 10 CYS CB C 10 30.731 30.731 25.895 4.836 19201 2725 1 8 . 1 1 10 10 CYS H H 10 8.999 8.999 8.850 0.149 19201 2726 1 8 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.407 0.175 19201 2727 1 8 . 1 1 11 11 PRO C C 11 177.219 177.219 176.708 0.511 19201 2728 1 8 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.114 -0.913 19201 2729 1 8 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.896 0.424 19201 2730 1 8 . 1 1 12 12 LEU N N 12 121.846 121.846 115.326 6.520 19201 2731 1 8 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.419 -0.013 19201 2732 1 8 . 1 1 12 12 LEU C C 12 176.492 176.492 177.405 -0.913 19201 2733 1 8 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.275 -0.131 19201 2734 1 8 . 1 1 12 12 LEU CB C 12 43.242 43.242 41.692 1.550 19201 2735 1 8 . 1 1 12 12 LEU H H 12 9.347 9.347 8.179 1.168 19201 2736 1 8 . 1 1 13 13 CYS N N 13 119.509 119.509 117.524 1.985 19201 2737 1 8 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.690 0.251 19201 2738 1 8 . 1 1 13 13 CYS C C 13 173.792 173.792 174.704 -0.912 19201 2739 1 8 . 1 1 13 13 CYS CA C 13 58.541 58.541 59.196 -0.655 19201 2740 1 8 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.846 1.044 19201 2741 1 8 . 1 1 13 13 CYS H H 13 7.879 7.879 7.635 0.244 19201 2742 1 8 . 1 1 14 14 GLU N N 14 114.443 114.443 118.749 -4.306 19201 2743 1 8 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.069 0.095 19201 2744 1 8 . 1 1 14 14 GLU C C 14 175.831 175.831 174.895 0.936 19201 2745 1 8 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.355 0.044 19201 2746 1 8 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.885 1.852 19201 2747 1 8 . 1 1 14 14 GLU H H 14 8.112 8.112 8.638 -0.526 19201 2748 1 8 . 1 1 15 15 LEU N N 15 124.338 124.338 120.511 3.827 19201 2749 1 8 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.707 -0.839 19201 2750 1 8 . 1 1 15 15 LEU C C 15 174.900 174.900 175.252 -0.352 19201 2751 1 8 . 1 1 15 15 LEU CA C 15 57.105 57.105 53.208 3.897 19201 2752 1 8 . 1 1 15 15 LEU CB C 15 43.170 43.170 45.303 -2.133 19201 2753 1 8 . 1 1 15 15 LEU H H 15 8.403 8.403 7.889 0.514 19201 2754 1 8 . 1 1 16 16 MET N N 16 121.138 121.138 124.822 -3.684 19201 2755 1 8 . 1 1 16 16 MET HA H 16 4.964 4.964 4.589 0.375 19201 2756 1 8 . 1 1 16 16 MET C C 16 175.457 175.457 174.639 0.818 19201 2757 1 8 . 1 1 16 16 MET CA C 16 53.699 53.699 55.400 -1.701 19201 2758 1 8 . 1 1 16 16 MET CB C 16 34.779 34.779 33.425 1.354 19201 2759 1 8 . 1 1 16 16 MET H H 16 7.738 7.738 8.447 -0.709 19201 2760 1 8 . 1 1 17 17 PHE N N 17 122.417 122.417 127.096 -4.679 19201 2761 1 8 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.980 -0.446 19201 2762 1 8 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.178 0.392 19201 2763 1 8 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.751 0.050 19201 2764 1 8 . 1 1 17 17 PHE H H 17 8.868 8.868 8.310 0.558 19201 2765 1 8 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.902 -0.345 19201 2766 1 8 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.675 0.921 19201 2767 1 8 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.485 -0.420 19201 2768 1 8 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.502 -0.281 19201 2769 1 8 . 1 1 19 19 PRO C C 19 176.899 176.899 176.213 0.686 19201 2770 1 8 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.950 0.223 19201 2771 1 8 . 1 1 19 19 PRO CB C 19 31.830 31.830 31.106 0.724 19201 2772 1 8 . 1 1 20 20 ASN N N 20 113.731 113.731 115.056 -1.325 19201 2773 1 8 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.633 -0.072 19201 2774 1 8 . 1 1 20 20 ASN C C 20 174.737 174.737 175.586 -0.849 19201 2775 1 8 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.720 0.164 19201 2776 1 8 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.248 -1.977 19201 2777 1 8 . 1 1 20 20 ASN H H 20 8.330 8.330 8.080 0.250 19201 2778 1 8 . 1 1 21 21 TYR N N 21 121.548 121.548 122.094 -0.546 19201 2779 1 8 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.571 -0.367 19201 2780 1 8 . 1 1 21 21 TYR C C 21 174.916 174.916 174.592 0.324 19201 2781 1 8 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.244 1.697 19201 2782 1 8 . 1 1 21 21 TYR CB C 21 39.454 39.454 38.989 0.465 19201 2783 1 8 . 1 1 21 21 TYR H H 21 7.666 7.666 8.073 -0.407 19201 2784 1 8 . 1 1 22 22 ASP N N 22 126.191 126.191 121.500 4.691 19201 2785 1 8 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.667 -0.403 19201 2786 1 8 . 1 1 22 22 ASP C C 22 176.536 176.536 176.972 -0.436 19201 2787 1 8 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.710 2.217 19201 2788 1 8 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.405 -1.078 19201 2789 1 8 . 1 1 22 22 ASP H H 22 7.832 7.832 8.425 -0.593 19201 2790 1 8 . 1 1 23 23 GLN N N 23 127.794 127.794 123.614 4.180 19201 2791 1 8 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.108 -0.118 19201 2792 1 8 . 1 1 23 23 GLN C C 23 178.011 178.011 178.219 -0.208 19201 2793 1 8 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.082 -0.127 19201 2794 1 8 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.496 -0.514 19201 2795 1 8 . 1 1 23 23 GLN H H 23 8.891 8.891 8.857 0.034 19201 2796 1 8 . 1 1 24 24 SER N N 24 115.542 115.542 113.059 2.483 19201 2797 1 8 . 1 1 24 24 SER HA H 24 4.298 4.298 4.278 0.020 19201 2798 1 8 . 1 1 24 24 SER C C 24 177.419 177.419 176.269 1.150 19201 2799 1 8 . 1 1 24 24 SER CA C 24 61.975 61.975 61.859 0.116 19201 2800 1 8 . 1 1 24 24 SER CB C 24 61.975 61.975 62.852 -0.877 19201 2801 1 8 . 1 1 24 24 SER H H 24 8.479 8.479 8.772 -0.293 19201 2802 1 8 . 1 1 25 25 LYS N N 25 123.099 123.099 122.171 0.928 19201 2803 1 8 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.164 0.015 19201 2804 1 8 . 1 1 25 25 LYS C C 25 180.064 180.064 179.265 0.799 19201 2805 1 8 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.227 0.078 19201 2806 1 8 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.944 -0.273 19201 2807 1 8 . 1 1 25 25 LYS H H 25 7.734 7.734 7.536 0.198 19201 2808 1 8 . 1 1 26 26 PHE N N 26 123.746 123.746 122.302 1.444 19201 2809 1 8 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.836 0.014 19201 2810 1 8 . 1 1 26 26 PHE C C 26 176.469 176.469 176.761 -0.292 19201 2811 1 8 . 1 1 26 26 PHE CA C 26 61.759 61.759 60.851 0.908 19201 2812 1 8 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.767 0.396 19201 2813 1 8 . 1 1 26 26 PHE H H 26 8.414 8.414 8.568 -0.154 19201 2814 1 8 . 1 1 27 27 GLU N N 27 118.957 118.957 118.803 0.154 19201 2815 1 8 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.605 0.136 19201 2816 1 8 . 1 1 27 27 GLU C C 27 178.777 178.777 178.835 -0.058 19201 2817 1 8 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.492 0.125 19201 2818 1 8 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.184 -0.502 19201 2819 1 8 . 1 1 27 27 GLU H H 27 8.497 8.497 7.850 0.647 19201 2820 1 8 . 1 1 28 28 GLU N N 28 118.812 118.812 118.056 0.756 19201 2821 1 8 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.932 -0.011 19201 2822 1 8 . 1 1 28 28 GLU C C 28 179.241 179.241 178.564 0.677 19201 2823 1 8 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.300 -0.055 19201 2824 1 8 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.176 0.583 19201 2825 1 8 . 1 1 28 28 GLU H H 28 7.967 7.967 8.576 -0.610 19201 2826 1 8 . 1 1 29 29 HIS N N 29 118.117 118.117 118.942 -0.825 19201 2827 1 8 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.350 -0.207 19201 2828 1 8 . 1 1 29 29 HIS C C 29 178.484 178.484 177.524 0.960 19201 2829 1 8 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.221 2.134 19201 2830 1 8 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.352 -3.291 19201 2831 1 8 . 1 1 29 29 HIS H H 29 7.791 7.791 7.282 0.509 19201 2832 1 8 . 1 1 30 30 VAL N N 30 122.416 122.416 120.364 2.052 19201 2833 1 8 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.654 -0.246 19201 2834 1 8 . 1 1 30 30 VAL C C 30 178.303 178.303 177.546 0.757 19201 2835 1 8 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.316 1.559 19201 2836 1 8 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.492 0.275 19201 2837 1 8 . 1 1 30 30 VAL H H 30 8.202 8.202 7.941 0.261 19201 2838 1 8 . 1 1 31 31 GLU N N 31 115.746 115.746 118.820 -3.074 19201 2839 1 8 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.764 0.961 19201 2840 1 8 . 1 1 31 31 GLU C C 31 178.071 178.071 178.075 -0.004 19201 2841 1 8 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.240 -0.213 19201 2842 1 8 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.890 -0.119 19201 2843 1 8 . 1 1 31 31 GLU H H 31 7.969 7.969 8.347 -0.378 19201 2844 1 8 . 1 1 32 32 SER N N 32 115.845 115.845 114.831 1.014 19201 2845 1 8 . 1 1 32 32 SER HA H 32 4.223 4.223 4.215 0.008 19201 2846 1 8 . 1 1 32 32 SER C C 32 174.855 174.855 175.712 -0.857 19201 2847 1 8 . 1 1 32 32 SER CA C 32 60.645 60.645 60.346 0.299 19201 2848 1 8 . 1 1 32 32 SER CB C 32 62.815 62.815 63.058 -0.243 19201 2849 1 8 . 1 1 32 32 SER H H 32 7.584 7.584 7.453 0.131 19201 2850 1 8 . 1 1 33 33 HIS N N 33 118.635 118.635 119.778 -1.143 19201 2851 1 8 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.467 -0.018 19201 2852 1 8 . 1 1 33 33 HIS C C 33 175.524 175.524 176.411 -0.887 19201 2853 1 8 . 1 1 33 33 HIS CA C 33 57.026 57.026 59.024 -1.998 19201 2854 1 8 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.419 -1.116 19201 2855 1 8 . 1 1 33 33 HIS H H 33 7.286 7.286 8.022 -0.736 19201 2856 1 8 . 1 1 34 34 TRP N N 34 121.219 121.219 119.784 1.435 19201 2857 1 8 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.687 -0.351 19201 2858 1 8 . 1 1 34 34 TRP C C 34 175.644 175.644 176.703 -1.059 19201 2859 1 8 . 1 1 34 34 TRP CA C 34 58.324 58.324 56.161 2.163 19201 2860 1 8 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.089 1.173 19201 2861 1 8 . 1 1 34 34 TRP H H 34 7.949 7.949 7.479 0.470 19201 2862 1 8 . 1 1 35 35 LYS N N 35 122.872 122.872 123.666 -0.794 19201 2863 1 8 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.179 0.161 19201 2864 1 8 . 1 1 35 35 LYS C C 35 175.286 175.286 175.983 -0.697 19201 2865 1 8 . 1 1 35 35 LYS CA C 35 55.606 55.606 55.063 0.542 19201 2866 1 8 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.846 1.539 19201 2867 1 8 . 1 1 35 35 LYS H H 35 8.581 8.581 8.137 0.444 19201 2868 1 8 . 1 1 36 36 VAL N N 36 122.386 122.386 125.606 -3.220 19201 2869 1 8 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.618 0.313 19201 2870 1 8 . 1 1 36 36 VAL C C 36 176.320 176.320 176.362 -0.042 19201 2871 1 8 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.953 -0.598 19201 2872 1 8 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.783 0.824 19201 2873 1 8 . 1 1 36 36 VAL H H 36 8.313 8.313 8.272 0.041 19201 2874 1 8 . 1 1 37 37 CYS N N 37 130.378 130.378 129.294 1.084 19201 2875 1 8 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.193 -0.289 19201 2876 1 8 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.728 0.731 19201 2877 1 8 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.294 2.344 19201 2878 1 8 . 1 1 37 37 CYS H H 37 9.165 9.165 9.168 -0.003 19201 2879 1 8 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.319 0.264 19201 2880 1 8 . 1 1 38 38 PRO C C 38 176.933 176.933 177.980 -1.047 19201 2881 1 8 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.930 -1.710 19201 2882 1 8 . 1 1 38 38 PRO CB C 38 32.315 32.315 32.036 0.279 19201 2883 1 8 . 1 1 39 39 MET N N 39 119.180 119.180 115.703 3.477 19201 2884 1 8 . 1 1 39 39 MET HA H 39 4.534 4.534 4.455 0.079 19201 2885 1 8 . 1 1 39 39 MET C C 39 176.454 176.454 177.341 -0.887 19201 2886 1 8 . 1 1 39 39 MET CA C 39 55.971 55.971 57.430 -1.459 19201 2887 1 8 . 1 1 39 39 MET CB C 39 32.539 32.539 32.865 -0.326 19201 2888 1 8 . 1 1 39 39 MET H H 39 9.054 9.054 8.255 0.799 19201 2889 1 8 . 1 1 40 40 CYS N N 40 118.414 118.414 116.547 1.867 19201 2890 1 8 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.579 0.444 19201 2891 1 8 . 1 1 40 40 CYS C C 40 175.288 175.288 175.657 -0.369 19201 2892 1 8 . 1 1 40 40 CYS CA C 40 58.570 58.570 59.112 -0.542 19201 2893 1 8 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.564 3.137 19201 2894 1 8 . 1 1 40 40 CYS H H 40 8.096 8.096 8.029 0.067 19201 2895 1 8 . 1 1 41 41 SER N N 41 113.638 113.638 113.461 0.177 19201 2896 1 8 . 1 1 41 41 SER HA H 41 4.291 4.291 4.343 -0.052 19201 2897 1 8 . 1 1 41 41 SER C C 41 173.193 173.193 173.099 0.094 19201 2898 1 8 . 1 1 41 41 SER CA C 41 60.401 60.401 59.891 0.510 19201 2899 1 8 . 1 1 41 41 SER CB C 41 62.177 62.177 61.557 0.620 19201 2900 1 8 . 1 1 41 41 SER H H 41 7.916 7.916 8.724 -0.808 19201 2901 1 8 . 1 1 42 42 GLU N N 42 124.849 124.849 120.119 4.730 19201 2902 1 8 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.523 -0.604 19201 2903 1 8 . 1 1 42 42 GLU C C 42 174.373 174.373 175.372 -0.999 19201 2904 1 8 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.007 3.343 19201 2905 1 8 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.243 -1.591 19201 2906 1 8 . 1 1 42 42 GLU H H 42 8.483 8.483 8.283 0.200 19201 2907 1 8 . 1 1 43 43 GLN N N 43 122.061 122.061 123.403 -1.342 19201 2908 1 8 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.632 0.410 19201 2909 1 8 . 1 1 43 43 GLN C C 43 175.251 175.251 175.329 -0.078 19201 2910 1 8 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.629 -1.235 19201 2911 1 8 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.087 1.135 19201 2912 1 8 . 1 1 43 43 GLN H H 43 8.047 8.047 8.810 -0.763 19201 2913 1 8 . 1 1 44 44 PHE N N 44 122.827 122.827 124.880 -2.053 19201 2914 1 8 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.624 0.054 19201 2915 1 8 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.606 -0.612 19201 2916 1 8 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.964 -0.056 19201 2917 1 8 . 1 1 44 44 PHE H H 44 9.312 9.312 8.988 0.324 19201 2918 1 8 . 1 1 45 45 PRO HA H 45 3.531 3.531 3.961 -0.430 19201 2919 1 8 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.594 -0.384 19201 2920 1 8 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.286 -0.397 19201 2921 1 8 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.358 -0.194 19201 2922 1 8 . 1 1 46 46 PRO C C 46 176.621 176.621 176.769 -0.148 19201 2923 1 8 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.030 -0.579 19201 2924 1 8 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.849 0.041 19201 2925 1 8 . 1 1 47 47 ASP N N 47 113.411 113.411 116.550 -3.139 19201 2926 1 8 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.622 -0.146 19201 2927 1 8 . 1 1 47 47 ASP C C 47 175.831 175.831 175.406 0.425 19201 2928 1 8 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.114 -1.231 19201 2929 1 8 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.365 -0.814 19201 2930 1 8 . 1 1 47 47 ASP H H 47 8.028 8.028 8.254 -0.226 19201 2931 1 8 . 1 1 48 48 TYR N N 48 122.527 122.527 120.757 1.770 19201 2932 1 8 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.493 -0.290 19201 2933 1 8 . 1 1 48 48 TYR C C 48 175.189 175.189 174.724 0.465 19201 2934 1 8 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.454 0.355 19201 2935 1 8 . 1 1 48 48 TYR CB C 48 39.307 39.307 40.132 -0.825 19201 2936 1 8 . 1 1 48 48 TYR H H 48 7.812 7.812 7.573 0.239 19201 2937 1 8 . 1 1 49 49 ASP N N 49 125.426 125.426 125.845 -0.419 19201 2938 1 8 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.642 -0.333 19201 2939 1 8 . 1 1 49 49 ASP C C 49 176.996 176.996 177.001 -0.005 19201 2940 1 8 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.298 0.579 19201 2941 1 8 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.370 -0.064 19201 2942 1 8 . 1 1 49 49 ASP H H 49 8.012 8.012 8.210 -0.198 19201 2943 1 8 . 1 1 50 50 GLN N N 50 126.958 126.958 124.852 2.106 19201 2944 1 8 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.127 -0.138 19201 2945 1 8 . 1 1 50 50 GLN C C 50 177.779 177.779 178.271 -0.492 19201 2946 1 8 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.657 -0.739 19201 2947 1 8 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.784 -0.526 19201 2948 1 8 . 1 1 50 50 GLN H H 50 8.873 8.873 8.925 -0.052 19201 2949 1 8 . 1 1 51 51 GLN N N 51 117.767 117.767 118.078 -0.311 19201 2950 1 8 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.189 -0.036 19201 2951 1 8 . 1 1 51 51 GLN C C 51 179.003 179.003 178.514 0.489 19201 2952 1 8 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.573 0.557 19201 2953 1 8 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.379 -0.009 19201 2954 1 8 . 1 1 51 51 GLN H H 51 8.425 8.425 8.567 -0.142 19201 2955 1 8 . 1 1 52 52 VAL N N 52 122.144 122.144 120.185 1.959 19201 2956 1 8 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.770 -0.207 19201 2957 1 8 . 1 1 52 52 VAL C C 52 179.252 179.252 178.244 1.008 19201 2958 1 8 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.521 1.009 19201 2959 1 8 . 1 1 52 52 VAL CB C 52 31.615 31.615 30.932 0.683 19201 2960 1 8 . 1 1 52 52 VAL H H 52 7.864 7.864 7.569 0.295 19201 2961 1 8 . 1 1 53 53 PHE N N 53 122.104 122.104 122.492 -0.388 19201 2962 1 8 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.025 -0.249 19201 2963 1 8 . 1 1 53 53 PHE C C 53 176.497 176.497 176.917 -0.420 19201 2964 1 8 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.595 -0.078 19201 2965 1 8 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.038 0.065 19201 2966 1 8 . 1 1 53 53 PHE H H 53 8.291 8.291 8.882 -0.591 19201 2967 1 8 . 1 1 54 54 GLU N N 54 118.755 118.755 119.154 -0.399 19201 2968 1 8 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.735 -0.045 19201 2969 1 8 . 1 1 54 54 GLU C C 54 179.450 179.450 179.339 0.111 19201 2970 1 8 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.781 0.065 19201 2971 1 8 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.895 0.066 19201 2972 1 8 . 1 1 54 54 GLU H H 54 8.613 8.613 8.777 -0.164 19201 2973 1 8 . 1 1 55 55 ARG N N 55 119.023 119.023 118.159 0.864 19201 2974 1 8 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.129 -0.122 19201 2975 1 8 . 1 1 55 55 ARG C C 55 178.908 178.908 178.907 0.001 19201 2976 1 8 . 1 1 55 55 ARG CA C 55 59.150 59.150 57.921 1.229 19201 2977 1 8 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.744 0.102 19201 2978 1 8 . 1 1 55 55 ARG H H 55 8.006 8.006 8.364 -0.358 19201 2979 1 8 . 1 1 56 56 HIS N N 56 119.517 119.517 120.700 -1.183 19201 2980 1 8 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.313 -0.201 19201 2981 1 8 . 1 1 56 56 HIS C C 56 178.078 178.078 177.351 0.727 19201 2982 1 8 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.291 1.066 19201 2983 1 8 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.444 -2.627 19201 2984 1 8 . 1 1 56 56 HIS H H 56 7.921 7.921 7.897 0.024 19201 2985 1 8 . 1 1 57 57 VAL N N 57 121.280 121.280 119.451 1.829 19201 2986 1 8 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.844 -0.400 19201 2987 1 8 . 1 1 57 57 VAL C C 57 177.845 177.845 178.535 -0.690 19201 2988 1 8 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.739 1.649 19201 2989 1 8 . 1 1 57 57 VAL CB C 57 31.749 31.749 30.833 0.916 19201 2990 1 8 . 1 1 57 57 VAL H H 57 8.131 8.131 7.912 0.219 19201 2991 1 8 . 1 1 58 58 GLN N N 58 115.274 115.274 116.597 -1.323 19201 2992 1 8 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.080 -0.082 19201 2993 1 8 . 1 1 58 58 GLN C C 58 178.690 178.690 178.507 0.183 19201 2994 1 8 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.099 -0.148 19201 2995 1 8 . 1 1 58 58 GLN CB C 58 28.260 28.260 27.982 0.278 19201 2996 1 8 . 1 1 58 58 GLN H H 58 7.745 7.745 8.335 -0.590 19201 2997 1 8 . 1 1 59 59 THR N N 59 112.271 112.271 112.316 -0.045 19201 2998 1 8 . 1 1 59 59 THR HA H 59 4.078 4.078 4.126 -0.048 19201 2999 1 8 . 1 1 59 59 THR C C 59 176.280 176.280 176.390 -0.110 19201 3000 1 8 . 1 1 59 59 THR CA C 59 65.185 65.185 66.102 -0.917 19201 3001 1 8 . 1 1 59 59 THR CB C 59 69.186 69.186 69.093 0.093 19201 3002 1 8 . 1 1 59 59 THR H H 59 7.658 7.658 7.833 -0.175 19201 3003 1 8 . 1 1 60 60 HIS N N 60 117.387 117.387 118.810 -1.423 19201 3004 1 8 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.445 -0.083 19201 3005 1 8 . 1 1 60 60 HIS C C 60 175.307 175.307 176.570 -1.263 19201 3006 1 8 . 1 1 60 60 HIS CA C 60 57.055 57.055 57.644 -0.589 19201 3007 1 8 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.165 -0.979 19201 3008 1 8 . 1 1 60 60 HIS H H 60 7.226 7.226 7.963 -0.737 19201 3009 1 8 . 1 1 61 61 PHE N N 61 118.105 118.105 119.290 -1.185 19201 3010 1 8 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.326 0.321 19201 3011 1 8 . 1 1 61 61 PHE C C 61 175.798 175.798 176.956 -1.158 19201 3012 1 8 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.797 -3.046 19201 3013 1 8 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.097 0.472 19201 3014 1 8 . 1 1 61 61 PHE H H 61 7.601 7.601 7.784 -0.183 19201 3015 1 8 . 1 1 62 62 ASP N N 62 120.979 120.979 119.856 1.123 19201 3016 1 8 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.549 0.028 19201 3017 1 8 . 1 1 62 62 ASP C C 62 176.531 176.531 177.016 -0.485 19201 3018 1 8 . 1 1 62 62 ASP CA C 62 54.888 54.888 55.592 -0.704 19201 3019 1 8 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.820 -0.610 19201 3020 1 8 . 1 1 62 62 ASP H H 62 8.021 8.021 7.897 0.124 19201 3021 1 8 . 1 1 63 63 GLN N N 63 120.043 120.043 114.443 5.600 19201 3022 1 8 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.935 0.336 19201 3023 1 8 . 1 1 63 63 GLN C C 63 175.955 175.955 174.696 1.259 19201 3024 1 8 . 1 1 63 63 GLN CA C 63 56.147 56.147 56.411 -0.264 19201 3025 1 8 . 1 1 63 63 GLN CB C 63 29.184 29.184 26.222 2.962 19201 3026 1 8 . 1 1 63 63 GLN H H 63 8.274 8.274 8.514 -0.240 19201 3027 1 8 . 1 1 64 64 ASN N N 64 119.150 119.150 115.949 3.201 19201 3028 1 8 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.504 0.164 19201 3029 1 8 . 1 1 64 64 ASN C C 64 175.159 175.159 174.717 0.442 19201 3030 1 8 . 1 1 64 64 ASN CA C 64 53.645 53.645 53.923 -0.278 19201 3031 1 8 . 1 1 64 64 ASN CB C 64 38.855 38.855 37.864 0.991 19201 3032 1 8 . 1 1 64 64 ASN H H 64 8.406 8.406 8.304 0.102 19201 3033 1 8 . 1 1 65 65 VAL N N 65 119.684 119.684 120.537 -0.853 19201 3034 1 8 . 1 1 65 65 VAL HA H 65 4.039 4.039 4.267 -0.228 19201 3035 1 8 . 1 1 65 65 VAL C C 65 175.835 175.835 175.750 0.085 19201 3036 1 8 . 1 1 65 65 VAL CA C 65 62.523 62.523 61.179 1.343 19201 3037 1 8 . 1 1 65 65 VAL CB C 65 32.584 32.584 32.795 -0.211 19201 3038 1 8 . 1 1 65 65 VAL H H 65 7.904 7.904 8.828 -0.924 19201 3039 1 8 . 1 1 66 66 LEU N N 66 124.819 124.819 122.769 2.050 19201 3040 1 8 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.256 0.011 19201 3041 1 8 . 1 1 66 66 LEU C C 66 176.316 176.316 175.843 0.473 19201 3042 1 8 . 1 1 66 66 LEU CA C 66 54.899 54.899 56.203 -1.304 19201 3043 1 8 . 1 1 66 66 LEU CB C 66 42.404 42.404 42.216 0.188 19201 3044 1 8 . 1 1 66 66 LEU H H 66 8.115 8.115 7.426 0.689 19201 3045 1 8 . 1 1 67 67 ASN N N 67 119.012 119.012 122.370 -3.358 19201 3046 1 8 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.830 -0.195 19201 3047 1 8 . 1 1 67 67 ASN C C 67 174.316 174.316 174.563 -0.247 19201 3048 1 8 . 1 1 67 67 ASN CA C 67 52.964 52.964 52.643 0.321 19201 3049 1 8 . 1 1 67 67 ASN CB C 67 39.576 39.576 38.400 1.176 19201 3050 1 8 . 1 1 67 67 ASN H H 67 8.057 8.057 8.208 -0.151 19201 3051 1 8 . 1 1 68 68 PHE N N 68 121.187 121.187 121.361 -0.174 19201 3052 1 8 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.473 0.181 19201 3053 1 8 . 1 1 68 68 PHE C C 68 174.610 174.610 175.676 -1.066 19201 3054 1 8 . 1 1 68 68 PHE CA C 68 57.397 57.397 59.015 -1.618 19201 3055 1 8 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.709 0.014 19201 3056 1 8 . 1 1 68 68 PHE H H 68 8.208 8.208 8.490 -0.282 19201 3057 1 9 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.716 -0.285 19201 3058 1 9 . 1 1 2 2 PRO C C 2 176.542 176.542 175.922 0.620 19201 3059 1 9 . 1 1 2 2 PRO CA C 2 62.968 62.968 62.848 0.120 19201 3060 1 9 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.284 0.015 19201 3061 1 9 . 1 1 3 3 HIS N N 3 119.528 119.528 119.846 -0.318 19201 3062 1 9 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.591 0.052 19201 3063 1 9 . 1 1 3 3 HIS C C 3 174.598 174.598 174.466 0.132 19201 3064 1 9 . 1 1 3 3 HIS CA C 3 55.726 55.726 55.987 -0.261 19201 3065 1 9 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.310 -0.815 19201 3066 1 9 . 1 1 3 3 HIS H H 3 8.651 8.651 8.830 -0.179 19201 3067 1 9 . 1 1 4 4 MET N N 4 122.541 122.541 117.625 4.916 19201 3068 1 9 . 1 1 4 4 MET HA H 4 4.474 4.474 4.329 0.145 19201 3069 1 9 . 1 1 4 4 MET C C 4 175.419 175.419 175.443 -0.024 19201 3070 1 9 . 1 1 4 4 MET CA C 4 55.207 55.207 55.993 -0.786 19201 3071 1 9 . 1 1 4 4 MET CB C 4 33.158 33.158 31.171 1.987 19201 3072 1 9 . 1 1 4 4 MET H H 4 8.403 8.403 8.056 0.347 19201 3073 1 9 . 1 1 5 5 ASP N N 5 122.333 122.333 118.391 3.942 19201 3074 1 9 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.640 -0.015 19201 3075 1 9 . 1 1 5 5 ASP C C 5 175.734 175.734 174.644 1.090 19201 3076 1 9 . 1 1 5 5 ASP CA C 5 54.259 54.259 54.310 -0.052 19201 3077 1 9 . 1 1 5 5 ASP CB C 5 41.323 41.323 38.580 2.743 19201 3078 1 9 . 1 1 5 5 ASP H H 5 8.513 8.513 8.744 -0.231 19201 3079 1 9 . 1 1 6 6 VAL N N 6 118.762 118.762 116.019 2.743 19201 3080 1 9 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.580 -0.435 19201 3081 1 9 . 1 1 6 6 VAL C C 6 175.686 175.686 174.692 0.994 19201 3082 1 9 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.748 0.107 19201 3083 1 9 . 1 1 6 6 VAL CB C 6 32.997 32.997 32.972 0.025 19201 3084 1 9 . 1 1 6 6 VAL H H 6 8.011 8.011 7.976 0.035 19201 3085 1 9 . 1 1 7 7 HIS N N 7 121.430 121.430 118.720 2.710 19201 3086 1 9 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.747 -0.248 19201 3087 1 9 . 1 1 7 7 HIS C C 7 174.456 174.456 174.428 0.028 19201 3088 1 9 . 1 1 7 7 HIS CA C 7 56.097 56.097 55.599 0.498 19201 3089 1 9 . 1 1 7 7 HIS CB C 7 30.624 30.624 31.159 -0.535 19201 3090 1 9 . 1 1 7 7 HIS H H 7 8.323 8.323 7.867 0.456 19201 3091 1 9 . 1 1 8 8 LYS N N 8 122.591 122.591 122.829 -0.238 19201 3092 1 9 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.605 -0.284 19201 3093 1 9 . 1 1 8 8 LYS C C 8 174.443 174.443 175.159 -0.716 19201 3094 1 9 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.526 1.370 19201 3095 1 9 . 1 1 8 8 LYS CB C 8 33.984 33.984 32.330 1.654 19201 3096 1 9 . 1 1 8 8 LYS H H 8 8.515 8.515 7.602 0.913 19201 3097 1 9 . 1 1 9 9 LYS N N 9 124.787 124.787 123.173 1.614 19201 3098 1 9 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.118 0.060 19201 3099 1 9 . 1 1 9 9 LYS C C 9 176.374 176.374 176.594 -0.220 19201 3100 1 9 . 1 1 9 9 LYS CA C 9 54.570 54.570 55.031 -0.461 19201 3101 1 9 . 1 1 9 9 LYS CB C 9 35.487 35.487 33.472 2.015 19201 3102 1 9 . 1 1 9 9 LYS H H 9 8.383 8.383 8.324 0.059 19201 3103 1 9 . 1 1 10 10 CYS N N 10 129.698 129.698 125.786 3.912 19201 3104 1 9 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.844 -0.028 19201 3105 1 9 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.030 0.930 19201 3106 1 9 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.378 3.353 19201 3107 1 9 . 1 1 10 10 CYS H H 10 8.999 8.999 8.658 0.341 19201 3108 1 9 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.379 0.203 19201 3109 1 9 . 1 1 11 11 PRO C C 11 177.219 177.219 176.379 0.840 19201 3110 1 9 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.168 -0.967 19201 3111 1 9 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.800 0.521 19201 3112 1 9 . 1 1 12 12 LEU N N 12 121.846 121.846 116.502 5.344 19201 3113 1 9 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.544 -0.138 19201 3114 1 9 . 1 1 12 12 LEU C C 12 176.492 176.492 177.351 -0.859 19201 3115 1 9 . 1 1 12 12 LEU CA C 12 55.144 55.144 54.849 0.295 19201 3116 1 9 . 1 1 12 12 LEU CB C 12 43.242 43.242 42.507 0.735 19201 3117 1 9 . 1 1 12 12 LEU H H 12 9.347 9.347 8.127 1.220 19201 3118 1 9 . 1 1 13 13 CYS N N 13 119.509 119.509 112.264 7.245 19201 3119 1 9 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.709 0.232 19201 3120 1 9 . 1 1 13 13 CYS C C 13 173.792 173.792 175.531 -1.739 19201 3121 1 9 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.589 -0.048 19201 3122 1 9 . 1 1 13 13 CYS CB C 13 30.889 30.889 30.718 0.171 19201 3123 1 9 . 1 1 13 13 CYS H H 13 7.879 7.879 8.232 -0.353 19201 3124 1 9 . 1 1 14 14 GLU N N 14 114.443 114.443 117.188 -2.745 19201 3125 1 9 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.007 0.157 19201 3126 1 9 . 1 1 14 14 GLU C C 14 175.831 175.831 175.254 0.577 19201 3127 1 9 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.498 -0.099 19201 3128 1 9 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.894 1.843 19201 3129 1 9 . 1 1 14 14 GLU H H 14 8.112 8.112 8.833 -0.721 19201 3130 1 9 . 1 1 15 15 LEU N N 15 124.338 124.338 121.283 3.055 19201 3131 1 9 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.149 -0.281 19201 3132 1 9 . 1 1 15 15 LEU C C 15 174.900 174.900 176.183 -1.283 19201 3133 1 9 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.657 1.448 19201 3134 1 9 . 1 1 15 15 LEU CB C 15 43.170 43.170 42.784 0.386 19201 3135 1 9 . 1 1 15 15 LEU H H 15 8.403 8.403 7.330 1.073 19201 3136 1 9 . 1 1 16 16 MET N N 16 121.138 121.138 125.995 -4.857 19201 3137 1 9 . 1 1 16 16 MET HA H 16 4.964 4.964 4.554 0.410 19201 3138 1 9 . 1 1 16 16 MET C C 16 175.457 175.457 174.873 0.584 19201 3139 1 9 . 1 1 16 16 MET CA C 16 53.699 53.699 55.350 -1.651 19201 3140 1 9 . 1 1 16 16 MET CB C 16 34.779 34.779 33.529 1.250 19201 3141 1 9 . 1 1 16 16 MET H H 16 7.738 7.738 7.998 -0.260 19201 3142 1 9 . 1 1 17 17 PHE N N 17 122.417 122.417 126.440 -4.023 19201 3143 1 9 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.089 -0.555 19201 3144 1 9 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.238 0.332 19201 3145 1 9 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.932 -0.131 19201 3146 1 9 . 1 1 17 17 PHE H H 17 8.868 8.868 9.040 -0.172 19201 3147 1 9 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.979 -0.422 19201 3148 1 9 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.866 0.730 19201 3149 1 9 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.936 -0.871 19201 3150 1 9 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.436 -0.215 19201 3151 1 9 . 1 1 19 19 PRO C C 19 176.899 176.899 175.437 1.462 19201 3152 1 9 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.586 0.587 19201 3153 1 9 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.118 1.712 19201 3154 1 9 . 1 1 20 20 ASN N N 20 113.731 113.731 117.460 -3.729 19201 3155 1 9 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.716 -0.155 19201 3156 1 9 . 1 1 20 20 ASN C C 20 174.737 174.737 175.213 -0.476 19201 3157 1 9 . 1 1 20 20 ASN CA C 20 52.884 52.884 53.008 -0.124 19201 3158 1 9 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.642 -2.372 19201 3159 1 9 . 1 1 20 20 ASN H H 20 8.330 8.330 8.638 -0.308 19201 3160 1 9 . 1 1 21 21 TYR N N 21 121.548 121.548 121.394 0.154 19201 3161 1 9 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.666 -0.462 19201 3162 1 9 . 1 1 21 21 TYR C C 21 174.916 174.916 174.794 0.122 19201 3163 1 9 . 1 1 21 21 TYR CA C 21 58.941 58.941 56.480 2.461 19201 3164 1 9 . 1 1 21 21 TYR CB C 21 39.454 39.454 38.941 0.513 19201 3165 1 9 . 1 1 21 21 TYR H H 21 7.666 7.666 7.816 -0.150 19201 3166 1 9 . 1 1 22 22 ASP N N 22 126.191 126.191 121.660 4.531 19201 3167 1 9 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.672 -0.408 19201 3168 1 9 . 1 1 22 22 ASP C C 22 176.536 176.536 176.412 0.124 19201 3169 1 9 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.672 2.255 19201 3170 1 9 . 1 1 22 22 ASP CB C 22 42.327 42.327 42.929 -0.602 19201 3171 1 9 . 1 1 22 22 ASP H H 22 7.832 7.832 8.470 -0.638 19201 3172 1 9 . 1 1 23 23 GLN N N 23 127.794 127.794 124.727 3.067 19201 3173 1 9 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.178 -0.188 19201 3174 1 9 . 1 1 23 23 GLN C C 23 178.011 178.011 177.684 0.327 19201 3175 1 9 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.386 -0.431 19201 3176 1 9 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.936 -0.954 19201 3177 1 9 . 1 1 23 23 GLN H H 23 8.891 8.891 8.898 -0.007 19201 3178 1 9 . 1 1 24 24 SER N N 24 115.542 115.542 115.658 -0.116 19201 3179 1 9 . 1 1 24 24 SER HA H 24 4.298 4.298 4.212 0.086 19201 3180 1 9 . 1 1 24 24 SER C C 24 177.419 177.419 176.264 1.155 19201 3181 1 9 . 1 1 24 24 SER CA C 24 61.975 61.975 62.148 -0.173 19201 3182 1 9 . 1 1 24 24 SER CB C 24 61.975 61.975 62.847 -0.872 19201 3183 1 9 . 1 1 24 24 SER H H 24 8.479 8.479 8.763 -0.284 19201 3184 1 9 . 1 1 25 25 LYS N N 25 123.099 123.099 123.084 0.015 19201 3185 1 9 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.459 -0.280 19201 3186 1 9 . 1 1 25 25 LYS C C 25 180.064 180.064 178.801 1.263 19201 3187 1 9 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.426 -0.121 19201 3188 1 9 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.010 -0.339 19201 3189 1 9 . 1 1 25 25 LYS H H 25 7.734 7.734 7.517 0.217 19201 3190 1 9 . 1 1 26 26 PHE N N 26 123.746 123.746 122.268 1.478 19201 3191 1 9 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.820 0.030 19201 3192 1 9 . 1 1 26 26 PHE C C 26 176.469 176.469 176.915 -0.446 19201 3193 1 9 . 1 1 26 26 PHE CA C 26 61.759 61.759 60.798 0.961 19201 3194 1 9 . 1 1 26 26 PHE CB C 26 39.163 39.163 39.000 0.163 19201 3195 1 9 . 1 1 26 26 PHE H H 26 8.414 8.414 8.499 -0.085 19201 3196 1 9 . 1 1 27 27 GLU N N 27 118.957 118.957 117.961 0.996 19201 3197 1 9 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.651 0.090 19201 3198 1 9 . 1 1 27 27 GLU C C 27 178.777 178.777 178.975 -0.198 19201 3199 1 9 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.368 0.249 19201 3200 1 9 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.054 -0.372 19201 3201 1 9 . 1 1 27 27 GLU H H 27 8.497 8.497 8.176 0.321 19201 3202 1 9 . 1 1 28 28 GLU N N 28 118.812 118.812 118.209 0.603 19201 3203 1 9 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.949 -0.028 19201 3204 1 9 . 1 1 28 28 GLU C C 28 179.241 179.241 178.235 1.006 19201 3205 1 9 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.093 0.152 19201 3206 1 9 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.165 0.595 19201 3207 1 9 . 1 1 28 28 GLU H H 28 7.967 7.967 8.373 -0.406 19201 3208 1 9 . 1 1 29 29 HIS N N 29 118.117 118.117 120.038 -1.921 19201 3209 1 9 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.252 -0.109 19201 3210 1 9 . 1 1 29 29 HIS C C 29 178.484 178.484 177.102 1.382 19201 3211 1 9 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.350 2.005 19201 3212 1 9 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.182 -3.121 19201 3213 1 9 . 1 1 29 29 HIS H H 29 7.791 7.791 7.191 0.600 19201 3214 1 9 . 1 1 30 30 VAL N N 30 122.416 122.416 119.233 3.183 19201 3215 1 9 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.586 -0.178 19201 3216 1 9 . 1 1 30 30 VAL C C 30 178.303 178.303 177.830 0.473 19201 3217 1 9 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.188 1.687 19201 3218 1 9 . 1 1 30 30 VAL CB C 30 31.767 31.767 30.797 0.970 19201 3219 1 9 . 1 1 30 30 VAL H H 30 8.202 8.202 7.871 0.331 19201 3220 1 9 . 1 1 31 31 GLU N N 31 115.746 115.746 117.881 -2.135 19201 3221 1 9 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.998 0.727 19201 3222 1 9 . 1 1 31 31 GLU C C 31 178.071 178.071 178.900 -0.829 19201 3223 1 9 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.183 -0.156 19201 3224 1 9 . 1 1 31 31 GLU CB C 31 28.771 28.771 29.011 -0.240 19201 3225 1 9 . 1 1 31 31 GLU H H 31 7.969 7.969 8.093 -0.124 19201 3226 1 9 . 1 1 32 32 SER N N 32 115.845 115.845 114.698 1.147 19201 3227 1 9 . 1 1 32 32 SER HA H 32 4.223 4.223 4.234 -0.011 19201 3228 1 9 . 1 1 32 32 SER C C 32 174.855 174.855 175.632 -0.777 19201 3229 1 9 . 1 1 32 32 SER CA C 32 60.645 60.645 59.857 0.788 19201 3230 1 9 . 1 1 32 32 SER CB C 32 62.815 62.815 62.917 -0.102 19201 3231 1 9 . 1 1 32 32 SER H H 32 7.584 7.584 7.805 -0.221 19201 3232 1 9 . 1 1 33 33 HIS N N 33 118.635 118.635 118.371 0.264 19201 3233 1 9 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.471 -0.022 19201 3234 1 9 . 1 1 33 33 HIS C C 33 175.524 175.524 176.518 -0.994 19201 3235 1 9 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.513 -1.487 19201 3236 1 9 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.277 -0.974 19201 3237 1 9 . 1 1 33 33 HIS H H 33 7.286 7.286 7.869 -0.583 19201 3238 1 9 . 1 1 34 34 TRP N N 34 121.219 121.219 119.456 1.763 19201 3239 1 9 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.794 -0.458 19201 3240 1 9 . 1 1 34 34 TRP C C 34 175.644 175.644 176.739 -1.095 19201 3241 1 9 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.687 2.637 19201 3242 1 9 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.276 0.986 19201 3243 1 9 . 1 1 34 34 TRP H H 34 7.949 7.949 7.352 0.597 19201 3244 1 9 . 1 1 35 35 LYS N N 35 122.872 122.872 123.915 -1.043 19201 3245 1 9 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.000 0.340 19201 3246 1 9 . 1 1 35 35 LYS C C 35 175.286 175.286 175.946 -0.660 19201 3247 1 9 . 1 1 35 35 LYS CA C 35 55.606 55.606 55.268 0.338 19201 3248 1 9 . 1 1 35 35 LYS CB C 35 33.385 33.385 30.789 2.596 19201 3249 1 9 . 1 1 35 35 LYS H H 35 8.581 8.581 8.487 0.094 19201 3250 1 9 . 1 1 36 36 VAL N N 36 122.386 122.386 124.942 -2.556 19201 3251 1 9 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.716 0.215 19201 3252 1 9 . 1 1 36 36 VAL C C 36 176.320 176.320 176.127 0.193 19201 3253 1 9 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.482 -0.127 19201 3254 1 9 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.558 1.049 19201 3255 1 9 . 1 1 36 36 VAL H H 36 8.313 8.313 8.374 -0.061 19201 3256 1 9 . 1 1 37 37 CYS N N 37 130.378 130.378 129.409 0.969 19201 3257 1 9 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.025 -0.121 19201 3258 1 9 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.364 1.096 19201 3259 1 9 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.089 2.549 19201 3260 1 9 . 1 1 37 37 CYS H H 37 9.165 9.165 9.313 -0.148 19201 3261 1 9 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.338 0.245 19201 3262 1 9 . 1 1 38 38 PRO C C 38 176.933 176.933 176.786 0.147 19201 3263 1 9 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.364 -1.144 19201 3264 1 9 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.813 0.502 19201 3265 1 9 . 1 1 39 39 MET N N 39 119.180 119.180 115.176 4.004 19201 3266 1 9 . 1 1 39 39 MET HA H 39 4.534 4.534 4.453 0.081 19201 3267 1 9 . 1 1 39 39 MET C C 39 176.454 176.454 177.252 -0.798 19201 3268 1 9 . 1 1 39 39 MET CA C 39 55.971 55.971 56.585 -0.614 19201 3269 1 9 . 1 1 39 39 MET CB C 39 32.539 32.539 32.612 -0.073 19201 3270 1 9 . 1 1 39 39 MET H H 39 9.054 9.054 8.165 0.889 19201 3271 1 9 . 1 1 40 40 CYS N N 40 118.414 118.414 116.575 1.839 19201 3272 1 9 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.661 0.362 19201 3273 1 9 . 1 1 40 40 CYS C C 40 175.288 175.288 175.860 -0.572 19201 3274 1 9 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.815 -0.245 19201 3275 1 9 . 1 1 40 40 CYS CB C 40 31.701 31.701 27.999 3.702 19201 3276 1 9 . 1 1 40 40 CYS H H 40 8.096 8.096 7.624 0.472 19201 3277 1 9 . 1 1 41 41 SER N N 41 113.638 113.638 114.469 -0.831 19201 3278 1 9 . 1 1 41 41 SER HA H 41 4.291 4.291 4.217 0.074 19201 3279 1 9 . 1 1 41 41 SER C C 41 173.193 173.193 173.218 -0.025 19201 3280 1 9 . 1 1 41 41 SER CA C 41 60.401 60.401 59.605 0.796 19201 3281 1 9 . 1 1 41 41 SER CB C 41 62.177 62.177 62.739 -0.562 19201 3282 1 9 . 1 1 41 41 SER H H 41 7.916 7.916 8.523 -0.607 19201 3283 1 9 . 1 1 42 42 GLU N N 42 124.849 124.849 119.521 5.328 19201 3284 1 9 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.617 -0.698 19201 3285 1 9 . 1 1 42 42 GLU C C 42 174.373 174.373 175.038 -0.665 19201 3286 1 9 . 1 1 42 42 GLU CA C 42 58.350 58.350 54.677 3.673 19201 3287 1 9 . 1 1 42 42 GLU CB C 42 29.652 29.652 32.666 -3.014 19201 3288 1 9 . 1 1 42 42 GLU H H 42 8.483 8.483 7.718 0.765 19201 3289 1 9 . 1 1 43 43 GLN N N 43 122.061 122.061 122.546 -0.485 19201 3290 1 9 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.553 0.489 19201 3291 1 9 . 1 1 43 43 GLN C C 43 175.251 175.251 175.152 0.099 19201 3292 1 9 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.405 -1.011 19201 3293 1 9 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.188 1.034 19201 3294 1 9 . 1 1 43 43 GLN H H 43 8.047 8.047 8.682 -0.635 19201 3295 1 9 . 1 1 44 44 PHE N N 44 122.827 122.827 124.213 -1.386 19201 3296 1 9 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.674 0.004 19201 3297 1 9 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.883 -0.888 19201 3298 1 9 . 1 1 44 44 PHE CB C 44 39.908 39.908 40.089 -0.181 19201 3299 1 9 . 1 1 44 44 PHE H H 44 9.312 9.312 8.929 0.383 19201 3300 1 9 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.086 -0.555 19201 3301 1 9 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.974 -0.763 19201 3302 1 9 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.236 -0.347 19201 3303 1 9 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.309 -0.145 19201 3304 1 9 . 1 1 46 46 PRO C C 46 176.621 176.621 176.468 0.153 19201 3305 1 9 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.152 -0.701 19201 3306 1 9 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.757 0.133 19201 3307 1 9 . 1 1 47 47 ASP N N 47 113.411 113.411 116.319 -2.908 19201 3308 1 9 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.534 -0.058 19201 3309 1 9 . 1 1 47 47 ASP C C 47 175.831 175.831 175.992 -0.161 19201 3310 1 9 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.344 -1.461 19201 3311 1 9 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.693 -1.142 19201 3312 1 9 . 1 1 47 47 ASP H H 47 8.028 8.028 8.106 -0.078 19201 3313 1 9 . 1 1 48 48 TYR N N 48 122.527 122.527 121.578 0.949 19201 3314 1 9 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.214 -0.011 19201 3315 1 9 . 1 1 48 48 TYR C C 48 175.189 175.189 175.158 0.031 19201 3316 1 9 . 1 1 48 48 TYR CA C 48 58.809 58.809 59.391 -0.582 19201 3317 1 9 . 1 1 48 48 TYR CB C 48 39.307 39.307 38.511 0.796 19201 3318 1 9 . 1 1 48 48 TYR H H 48 7.812 7.812 7.706 0.106 19201 3319 1 9 . 1 1 49 49 ASP N N 49 125.426 125.426 126.203 -0.777 19201 3320 1 9 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.561 -0.252 19201 3321 1 9 . 1 1 49 49 ASP C C 49 176.996 176.996 177.490 -0.494 19201 3322 1 9 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.409 0.468 19201 3323 1 9 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.769 -0.464 19201 3324 1 9 . 1 1 49 49 ASP H H 49 8.012 8.012 8.286 -0.274 19201 3325 1 9 . 1 1 50 50 GLN N N 50 126.958 126.958 124.239 2.719 19201 3326 1 9 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.117 -0.128 19201 3327 1 9 . 1 1 50 50 GLN C C 50 177.779 177.779 178.342 -0.563 19201 3328 1 9 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.442 -0.524 19201 3329 1 9 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.637 -0.379 19201 3330 1 9 . 1 1 50 50 GLN H H 50 8.873 8.873 8.759 0.114 19201 3331 1 9 . 1 1 51 51 GLN N N 51 117.767 117.767 117.438 0.329 19201 3332 1 9 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.219 -0.066 19201 3333 1 9 . 1 1 51 51 GLN C C 51 179.003 179.003 178.608 0.395 19201 3334 1 9 . 1 1 51 51 GLN CA C 51 59.130 59.130 57.914 1.216 19201 3335 1 9 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.406 -0.036 19201 3336 1 9 . 1 1 51 51 GLN H H 51 8.425 8.425 8.856 -0.431 19201 3337 1 9 . 1 1 52 52 VAL N N 52 122.144 122.144 120.072 2.072 19201 3338 1 9 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.781 -0.218 19201 3339 1 9 . 1 1 52 52 VAL C C 52 179.252 179.252 177.605 1.647 19201 3340 1 9 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.733 0.797 19201 3341 1 9 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.855 -0.240 19201 3342 1 9 . 1 1 52 52 VAL H H 52 7.864 7.864 7.389 0.475 19201 3343 1 9 . 1 1 53 53 PHE N N 53 122.104 122.104 121.707 0.397 19201 3344 1 9 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.203 -0.427 19201 3345 1 9 . 1 1 53 53 PHE C C 53 176.497 176.497 177.128 -0.631 19201 3346 1 9 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.377 0.140 19201 3347 1 9 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.346 -0.243 19201 3348 1 9 . 1 1 53 53 PHE H H 53 8.291 8.291 9.023 -0.732 19201 3349 1 9 . 1 1 54 54 GLU N N 54 118.755 118.755 118.315 0.440 19201 3350 1 9 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.785 -0.095 19201 3351 1 9 . 1 1 54 54 GLU C C 54 179.450 179.450 179.026 0.424 19201 3352 1 9 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.634 0.212 19201 3353 1 9 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.204 -0.243 19201 3354 1 9 . 1 1 54 54 GLU H H 54 8.613 8.613 8.786 -0.173 19201 3355 1 9 . 1 1 55 55 ARG N N 55 119.023 119.023 118.614 0.409 19201 3356 1 9 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.112 -0.105 19201 3357 1 9 . 1 1 55 55 ARG C C 55 178.908 178.908 178.796 0.112 19201 3358 1 9 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.312 0.838 19201 3359 1 9 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.678 0.168 19201 3360 1 9 . 1 1 55 55 ARG H H 55 8.006 8.006 7.743 0.263 19201 3361 1 9 . 1 1 56 56 HIS N N 56 119.517 119.517 120.135 -0.618 19201 3362 1 9 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.311 -0.199 19201 3363 1 9 . 1 1 56 56 HIS C C 56 178.078 178.078 177.858 0.220 19201 3364 1 9 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.424 0.933 19201 3365 1 9 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.530 -2.713 19201 3366 1 9 . 1 1 56 56 HIS H H 56 7.921 7.921 7.924 -0.003 19201 3367 1 9 . 1 1 57 57 VAL N N 57 121.280 121.280 119.795 1.485 19201 3368 1 9 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.531 -0.087 19201 3369 1 9 . 1 1 57 57 VAL C C 57 177.845 177.845 178.225 -0.380 19201 3370 1 9 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.989 1.399 19201 3371 1 9 . 1 1 57 57 VAL CB C 57 31.749 31.749 30.679 1.070 19201 3372 1 9 . 1 1 57 57 VAL H H 57 8.131 8.131 7.990 0.141 19201 3373 1 9 . 1 1 58 58 GLN N N 58 115.274 115.274 116.836 -1.562 19201 3374 1 9 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.269 -0.271 19201 3375 1 9 . 1 1 58 58 GLN C C 58 178.690 178.690 178.355 0.335 19201 3376 1 9 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.334 -0.383 19201 3377 1 9 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.110 0.150 19201 3378 1 9 . 1 1 58 58 GLN H H 58 7.745 7.745 8.102 -0.357 19201 3379 1 9 . 1 1 59 59 THR N N 59 112.271 112.271 110.384 1.887 19201 3380 1 9 . 1 1 59 59 THR HA H 59 4.078 4.078 4.155 -0.077 19201 3381 1 9 . 1 1 59 59 THR C C 59 176.280 176.280 176.210 0.070 19201 3382 1 9 . 1 1 59 59 THR CA C 59 65.185 65.185 65.281 -0.096 19201 3383 1 9 . 1 1 59 59 THR CB C 59 69.186 69.186 68.941 0.245 19201 3384 1 9 . 1 1 59 59 THR H H 59 7.658 7.658 7.640 0.018 19201 3385 1 9 . 1 1 60 60 HIS N N 60 117.387 117.387 120.461 -3.074 19201 3386 1 9 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.265 0.097 19201 3387 1 9 . 1 1 60 60 HIS C C 60 175.307 175.307 176.318 -1.011 19201 3388 1 9 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.794 -1.739 19201 3389 1 9 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.721 -1.535 19201 3390 1 9 . 1 1 60 60 HIS H H 60 7.226 7.226 7.673 -0.447 19201 3391 1 9 . 1 1 61 61 PHE N N 61 118.105 118.105 115.544 2.561 19201 3392 1 9 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.471 0.176 19201 3393 1 9 . 1 1 61 61 PHE C C 61 175.798 175.798 176.089 -0.291 19201 3394 1 9 . 1 1 61 61 PHE CA C 61 57.751 57.751 59.669 -1.918 19201 3395 1 9 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.434 0.134 19201 3396 1 9 . 1 1 61 61 PHE H H 61 7.601 7.601 7.634 -0.033 19201 3397 1 9 . 1 1 62 62 ASP N N 62 120.979 120.979 118.111 2.868 19201 3398 1 9 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.653 -0.076 19201 3399 1 9 . 1 1 62 62 ASP C C 62 176.531 176.531 176.944 -0.413 19201 3400 1 9 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.203 -1.315 19201 3401 1 9 . 1 1 62 62 ASP CB C 62 41.210 41.210 42.247 -1.037 19201 3402 1 9 . 1 1 62 62 ASP H H 62 8.021 8.021 7.437 0.584 19201 3403 1 9 . 1 1 63 63 GLN N N 63 120.043 120.043 114.689 5.354 19201 3404 1 9 . 1 1 63 63 GLN HA H 63 4.271 4.271 4.363 -0.092 19201 3405 1 9 . 1 1 63 63 GLN C C 63 175.955 175.955 175.302 0.653 19201 3406 1 9 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.121 -0.974 19201 3407 1 9 . 1 1 63 63 GLN CB C 63 29.184 29.184 31.180 -1.996 19201 3408 1 9 . 1 1 63 63 GLN H H 63 8.274 8.274 8.309 -0.035 19201 3409 1 9 . 1 1 64 64 ASN N N 64 119.150 119.150 116.596 2.554 19201 3410 1 9 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.255 0.413 19201 3411 1 9 . 1 1 64 64 ASN C C 64 175.159 175.159 174.838 0.321 19201 3412 1 9 . 1 1 64 64 ASN CA C 64 53.645 53.645 53.904 -0.258 19201 3413 1 9 . 1 1 64 64 ASN CB C 64 38.855 38.855 37.862 0.993 19201 3414 1 9 . 1 1 64 64 ASN H H 64 8.406 8.406 8.523 -0.117 19201 3415 1 9 . 1 1 65 65 VAL N N 65 119.684 119.684 117.618 2.066 19201 3416 1 9 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.795 0.244 19201 3417 1 9 . 1 1 65 65 VAL C C 65 175.835 175.835 176.205 -0.370 19201 3418 1 9 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.425 -0.902 19201 3419 1 9 . 1 1 65 65 VAL CB C 65 32.584 32.584 31.580 1.004 19201 3420 1 9 . 1 1 65 65 VAL H H 65 7.904 7.904 7.997 -0.093 19201 3421 1 9 . 1 1 66 66 LEU N N 66 124.819 124.819 123.624 1.195 19201 3422 1 9 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.438 -0.171 19201 3423 1 9 . 1 1 66 66 LEU C C 66 176.316 176.316 176.244 0.072 19201 3424 1 9 . 1 1 66 66 LEU CA C 66 54.899 54.899 54.053 0.846 19201 3425 1 9 . 1 1 66 66 LEU CB C 66 42.404 42.404 39.618 2.785 19201 3426 1 9 . 1 1 66 66 LEU H H 66 8.115 8.115 8.494 -0.379 19201 3427 1 9 . 1 1 67 67 ASN N N 67 119.012 119.012 117.521 1.491 19201 3428 1 9 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.420 0.215 19201 3429 1 9 . 1 1 67 67 ASN C C 67 174.316 174.316 174.814 -0.498 19201 3430 1 9 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.510 -0.546 19201 3431 1 9 . 1 1 67 67 ASN CB C 67 39.576 39.576 38.572 1.004 19201 3432 1 9 . 1 1 67 67 ASN H H 67 8.057 8.057 7.943 0.114 19201 3433 1 9 . 1 1 68 68 PHE N N 68 121.187 121.187 122.920 -1.733 19201 3434 1 9 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.703 -0.049 19201 3435 1 9 . 1 1 68 68 PHE C C 68 174.610 174.610 174.766 -0.156 19201 3436 1 9 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.658 -1.261 19201 3437 1 9 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.467 0.257 19201 3438 1 9 . 1 1 68 68 PHE H H 68 8.208 8.208 8.379 -0.171 19201 3439 1 10 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.291 0.140 19201 3440 1 10 . 1 1 2 2 PRO C C 2 176.542 176.542 176.500 0.042 19201 3441 1 10 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.491 -0.523 19201 3442 1 10 . 1 1 2 2 PRO CB C 2 32.299 32.299 31.970 0.329 19201 3443 1 10 . 1 1 3 3 HIS N N 3 119.528 119.528 118.085 1.443 19201 3444 1 10 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.758 -0.115 19201 3445 1 10 . 1 1 3 3 HIS C C 3 174.598 174.598 174.176 0.422 19201 3446 1 10 . 1 1 3 3 HIS CA C 3 55.726 55.726 55.320 0.406 19201 3447 1 10 . 1 1 3 3 HIS CB C 3 29.495 29.495 29.471 0.024 19201 3448 1 10 . 1 1 3 3 HIS H H 3 8.651 8.651 8.112 0.539 19201 3449 1 10 . 1 1 4 4 MET N N 4 122.541 122.541 125.162 -2.621 19201 3450 1 10 . 1 1 4 4 MET HA H 4 4.474 4.474 4.629 -0.155 19201 3451 1 10 . 1 1 4 4 MET C C 4 175.419 175.419 175.124 0.295 19201 3452 1 10 . 1 1 4 4 MET CA C 4 55.207 55.207 55.056 0.151 19201 3453 1 10 . 1 1 4 4 MET CB C 4 33.158 33.158 33.135 0.023 19201 3454 1 10 . 1 1 4 4 MET H H 4 8.403 8.403 8.749 -0.346 19201 3455 1 10 . 1 1 5 5 ASP N N 5 122.333 122.333 123.764 -1.431 19201 3456 1 10 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.700 -0.075 19201 3457 1 10 . 1 1 5 5 ASP C C 5 175.734 175.734 173.995 1.739 19201 3458 1 10 . 1 1 5 5 ASP CA C 5 54.259 54.259 54.759 -0.500 19201 3459 1 10 . 1 1 5 5 ASP CB C 5 41.323 41.323 43.725 -2.402 19201 3460 1 10 . 1 1 5 5 ASP H H 5 8.513 8.513 8.119 0.394 19201 3461 1 10 . 1 1 6 6 VAL N N 6 118.762 118.762 123.324 -4.562 19201 3462 1 10 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.555 -0.410 19201 3463 1 10 . 1 1 6 6 VAL C C 6 175.686 175.686 174.163 1.523 19201 3464 1 10 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.922 -0.067 19201 3465 1 10 . 1 1 6 6 VAL CB C 6 32.997 32.997 31.900 1.097 19201 3466 1 10 . 1 1 6 6 VAL H H 6 8.011 8.011 8.140 -0.129 19201 3467 1 10 . 1 1 7 7 HIS N N 7 121.430 121.430 119.344 2.086 19201 3468 1 10 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.578 -0.079 19201 3469 1 10 . 1 1 7 7 HIS C C 7 174.456 174.456 175.086 -0.630 19201 3470 1 10 . 1 1 7 7 HIS CA C 7 56.097 56.097 57.390 -1.293 19201 3471 1 10 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.174 0.450 19201 3472 1 10 . 1 1 7 7 HIS H H 7 8.323 8.323 7.864 0.459 19201 3473 1 10 . 1 1 8 8 LYS N N 8 122.591 122.591 121.057 1.534 19201 3474 1 10 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.379 -0.058 19201 3475 1 10 . 1 1 8 8 LYS C C 8 174.443 174.443 174.800 -0.357 19201 3476 1 10 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.312 0.584 19201 3477 1 10 . 1 1 8 8 LYS CB C 8 33.984 33.984 32.353 1.631 19201 3478 1 10 . 1 1 8 8 LYS H H 8 8.515 8.515 7.977 0.538 19201 3479 1 10 . 1 1 9 9 LYS N N 9 124.787 124.787 121.920 2.867 19201 3480 1 10 . 1 1 9 9 LYS HA H 9 5.178 5.178 4.982 0.196 19201 3481 1 10 . 1 1 9 9 LYS C C 9 176.374 176.374 176.804 -0.430 19201 3482 1 10 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.679 -0.109 19201 3483 1 10 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.049 1.438 19201 3484 1 10 . 1 1 9 9 LYS H H 9 8.383 8.383 8.166 0.217 19201 3485 1 10 . 1 1 10 10 CYS N N 10 129.698 129.698 125.427 4.271 19201 3486 1 10 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.852 -0.036 19201 3487 1 10 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.793 0.167 19201 3488 1 10 . 1 1 10 10 CYS CB C 10 30.731 30.731 26.851 3.880 19201 3489 1 10 . 1 1 10 10 CYS H H 10 8.999 8.999 8.904 0.095 19201 3490 1 10 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.446 0.136 19201 3491 1 10 . 1 1 11 11 PRO C C 11 177.219 177.219 176.247 0.972 19201 3492 1 10 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.023 -0.822 19201 3493 1 10 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.632 0.689 19201 3494 1 10 . 1 1 12 12 LEU N N 12 121.846 121.846 118.680 3.166 19201 3495 1 10 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.413 -0.007 19201 3496 1 10 . 1 1 12 12 LEU C C 12 176.492 176.492 178.115 -1.623 19201 3497 1 10 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.934 -0.790 19201 3498 1 10 . 1 1 12 12 LEU CB C 12 43.242 43.242 41.164 2.078 19201 3499 1 10 . 1 1 12 12 LEU H H 12 9.347 9.347 7.929 1.418 19201 3500 1 10 . 1 1 13 13 CYS N N 13 119.509 119.509 112.391 7.118 19201 3501 1 10 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.660 0.281 19201 3502 1 10 . 1 1 13 13 CYS C C 13 173.792 173.792 174.893 -1.101 19201 3503 1 10 . 1 1 13 13 CYS CA C 13 58.541 58.541 57.906 0.635 19201 3504 1 10 . 1 1 13 13 CYS CB C 13 30.889 30.889 30.173 0.716 19201 3505 1 10 . 1 1 13 13 CYS H H 13 7.879 7.879 7.603 0.276 19201 3506 1 10 . 1 1 14 14 GLU N N 14 114.443 114.443 118.874 -4.431 19201 3507 1 10 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.092 0.072 19201 3508 1 10 . 1 1 14 14 GLU C C 14 175.831 175.831 174.533 1.298 19201 3509 1 10 . 1 1 14 14 GLU CA C 14 57.399 57.399 56.686 0.713 19201 3510 1 10 . 1 1 14 14 GLU CB C 14 28.737 28.737 27.431 1.306 19201 3511 1 10 . 1 1 14 14 GLU H H 14 8.112 8.112 8.391 -0.279 19201 3512 1 10 . 1 1 15 15 LEU N N 15 124.338 124.338 122.091 2.247 19201 3513 1 10 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.605 -0.737 19201 3514 1 10 . 1 1 15 15 LEU C C 15 174.900 174.900 175.284 -0.384 19201 3515 1 10 . 1 1 15 15 LEU CA C 15 57.105 57.105 53.733 3.372 19201 3516 1 10 . 1 1 15 15 LEU CB C 15 43.170 43.170 44.209 -1.039 19201 3517 1 10 . 1 1 15 15 LEU H H 15 8.403 8.403 7.877 0.526 19201 3518 1 10 . 1 1 16 16 MET N N 16 121.138 121.138 124.234 -3.096 19201 3519 1 10 . 1 1 16 16 MET HA H 16 4.964 4.964 4.534 0.430 19201 3520 1 10 . 1 1 16 16 MET C C 16 175.457 175.457 175.346 0.111 19201 3521 1 10 . 1 1 16 16 MET CA C 16 53.699 53.699 54.869 -1.170 19201 3522 1 10 . 1 1 16 16 MET CB C 16 34.779 34.779 32.887 1.892 19201 3523 1 10 . 1 1 16 16 MET H H 16 7.738 7.738 8.445 -0.707 19201 3524 1 10 . 1 1 17 17 PHE N N 17 122.417 122.417 123.978 -1.561 19201 3525 1 10 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.877 -0.343 19201 3526 1 10 . 1 1 17 17 PHE CA C 17 55.570 55.570 54.814 0.756 19201 3527 1 10 . 1 1 17 17 PHE CB C 17 39.801 39.801 40.674 -0.873 19201 3528 1 10 . 1 1 17 17 PHE H H 17 8.868 8.868 8.507 0.361 19201 3529 1 10 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.262 -0.705 19201 3530 1 10 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.082 1.514 19201 3531 1 10 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.515 -0.450 19201 3532 1 10 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.387 -0.166 19201 3533 1 10 . 1 1 19 19 PRO C C 19 176.899 176.899 176.052 0.847 19201 3534 1 10 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.542 0.631 19201 3535 1 10 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.791 1.039 19201 3536 1 10 . 1 1 20 20 ASN N N 20 113.731 113.731 115.817 -2.086 19201 3537 1 10 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.720 -0.159 19201 3538 1 10 . 1 1 20 20 ASN C C 20 174.737 174.737 175.418 -0.681 19201 3539 1 10 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.413 0.471 19201 3540 1 10 . 1 1 20 20 ASN CB C 20 37.271 37.271 38.855 -1.584 19201 3541 1 10 . 1 1 20 20 ASN H H 20 8.330 8.330 8.383 -0.053 19201 3542 1 10 . 1 1 21 21 TYR N N 21 121.548 121.548 120.870 0.678 19201 3543 1 10 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.643 -0.439 19201 3544 1 10 . 1 1 21 21 TYR C C 21 174.916 174.916 174.826 0.090 19201 3545 1 10 . 1 1 21 21 TYR CA C 21 58.941 58.941 56.709 2.232 19201 3546 1 10 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.126 0.328 19201 3547 1 10 . 1 1 21 21 TYR H H 21 7.666 7.666 7.960 -0.294 19201 3548 1 10 . 1 1 22 22 ASP N N 22 126.191 126.191 122.184 4.007 19201 3549 1 10 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.639 -0.375 19201 3550 1 10 . 1 1 22 22 ASP C C 22 176.536 176.536 176.961 -0.425 19201 3551 1 10 . 1 1 22 22 ASP CA C 22 54.927 54.927 53.040 1.887 19201 3552 1 10 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.078 -0.751 19201 3553 1 10 . 1 1 22 22 ASP H H 22 7.832 7.832 8.459 -0.627 19201 3554 1 10 . 1 1 23 23 GLN N N 23 127.794 127.794 124.976 2.818 19201 3555 1 10 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.145 -0.155 19201 3556 1 10 . 1 1 23 23 GLN C C 23 178.011 178.011 177.623 0.388 19201 3557 1 10 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.269 -0.314 19201 3558 1 10 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.682 -0.700 19201 3559 1 10 . 1 1 23 23 GLN H H 23 8.891 8.891 8.831 0.060 19201 3560 1 10 . 1 1 24 24 SER N N 24 115.542 115.542 113.723 1.819 19201 3561 1 10 . 1 1 24 24 SER HA H 24 4.298 4.298 4.299 -0.001 19201 3562 1 10 . 1 1 24 24 SER C C 24 177.419 177.419 176.375 1.044 19201 3563 1 10 . 1 1 24 24 SER CA C 24 61.975 61.975 61.504 0.471 19201 3564 1 10 . 1 1 24 24 SER CB C 24 61.975 61.975 62.675 -0.700 19201 3565 1 10 . 1 1 24 24 SER H H 24 8.479 8.479 8.237 0.242 19201 3566 1 10 . 1 1 25 25 LYS N N 25 123.099 123.099 122.124 0.975 19201 3567 1 10 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.213 -0.034 19201 3568 1 10 . 1 1 25 25 LYS C C 25 180.064 180.064 178.957 1.107 19201 3569 1 10 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.020 0.285 19201 3570 1 10 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.122 -0.451 19201 3571 1 10 . 1 1 25 25 LYS H H 25 7.734 7.734 7.499 0.235 19201 3572 1 10 . 1 1 26 26 PHE N N 26 123.746 123.746 122.340 1.406 19201 3573 1 10 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.798 0.052 19201 3574 1 10 . 1 1 26 26 PHE C C 26 176.469 176.469 176.648 -0.179 19201 3575 1 10 . 1 1 26 26 PHE CA C 26 61.759 61.759 60.956 0.803 19201 3576 1 10 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.692 0.471 19201 3577 1 10 . 1 1 26 26 PHE H H 26 8.414 8.414 8.715 -0.301 19201 3578 1 10 . 1 1 27 27 GLU N N 27 118.957 118.957 117.876 1.081 19201 3579 1 10 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.637 0.104 19201 3580 1 10 . 1 1 27 27 GLU C C 27 178.777 178.777 179.054 -0.277 19201 3581 1 10 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.106 0.511 19201 3582 1 10 . 1 1 27 27 GLU CB C 27 28.682 28.682 28.508 0.174 19201 3583 1 10 . 1 1 27 27 GLU H H 27 8.497 8.497 8.066 0.431 19201 3584 1 10 . 1 1 28 28 GLU N N 28 118.812 118.812 117.169 1.643 19201 3585 1 10 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.049 -0.128 19201 3586 1 10 . 1 1 28 28 GLU C C 28 179.241 179.241 178.526 0.715 19201 3587 1 10 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.290 0.955 19201 3588 1 10 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.200 0.559 19201 3589 1 10 . 1 1 28 28 GLU H H 28 7.967 7.967 8.009 -0.042 19201 3590 1 10 . 1 1 29 29 HIS N N 29 118.117 118.117 119.061 -0.944 19201 3591 1 10 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.443 -0.300 19201 3592 1 10 . 1 1 29 29 HIS C C 29 178.484 178.484 177.370 1.114 19201 3593 1 10 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.889 1.466 19201 3594 1 10 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.417 -3.356 19201 3595 1 10 . 1 1 29 29 HIS H H 29 7.791 7.791 7.516 0.275 19201 3596 1 10 . 1 1 30 30 VAL N N 30 122.416 122.416 120.587 1.829 19201 3597 1 10 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.651 -0.243 19201 3598 1 10 . 1 1 30 30 VAL C C 30 178.303 178.303 177.993 0.310 19201 3599 1 10 . 1 1 30 30 VAL CA C 30 67.875 67.875 65.909 1.966 19201 3600 1 10 . 1 1 30 30 VAL CB C 30 31.767 31.767 30.772 0.995 19201 3601 1 10 . 1 1 30 30 VAL H H 30 8.202 8.202 8.027 0.175 19201 3602 1 10 . 1 1 31 31 GLU N N 31 115.746 115.746 116.919 -1.173 19201 3603 1 10 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.474 0.251 19201 3604 1 10 . 1 1 31 31 GLU C C 31 178.071 178.071 177.587 0.484 19201 3605 1 10 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.092 -0.065 19201 3606 1 10 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.583 0.188 19201 3607 1 10 . 1 1 31 31 GLU H H 31 7.969 7.969 8.163 -0.194 19201 3608 1 10 . 1 1 32 32 SER N N 32 115.845 115.845 112.927 2.918 19201 3609 1 10 . 1 1 32 32 SER HA H 32 4.223 4.223 4.152 0.071 19201 3610 1 10 . 1 1 32 32 SER C C 32 174.855 174.855 175.745 -0.890 19201 3611 1 10 . 1 1 32 32 SER CA C 32 60.645 60.645 60.890 -0.245 19201 3612 1 10 . 1 1 32 32 SER CB C 32 62.815 62.815 62.961 -0.146 19201 3613 1 10 . 1 1 32 32 SER H H 32 7.584 7.584 7.335 0.249 19201 3614 1 10 . 1 1 33 33 HIS N N 33 118.635 118.635 119.331 -0.696 19201 3615 1 10 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.378 0.071 19201 3616 1 10 . 1 1 33 33 HIS C C 33 175.524 175.524 176.443 -0.919 19201 3617 1 10 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.181 -1.155 19201 3618 1 10 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.315 -1.012 19201 3619 1 10 . 1 1 33 33 HIS H H 33 7.286 7.286 7.553 -0.267 19201 3620 1 10 . 1 1 34 34 TRP N N 34 121.219 121.219 120.738 0.481 19201 3621 1 10 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.826 -0.490 19201 3622 1 10 . 1 1 34 34 TRP C C 34 175.644 175.644 176.578 -0.934 19201 3623 1 10 . 1 1 34 34 TRP CA C 34 58.324 58.324 56.888 1.436 19201 3624 1 10 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.039 1.223 19201 3625 1 10 . 1 1 34 34 TRP H H 34 7.949 7.949 7.663 0.286 19201 3626 1 10 . 1 1 35 35 LYS N N 35 122.872 122.872 124.772 -1.900 19201 3627 1 10 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.377 -0.037 19201 3628 1 10 . 1 1 35 35 LYS C C 35 175.286 175.286 175.737 -0.451 19201 3629 1 10 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.123 1.483 19201 3630 1 10 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.918 1.467 19201 3631 1 10 . 1 1 35 35 LYS H H 35 8.581 8.581 8.811 -0.230 19201 3632 1 10 . 1 1 36 36 VAL N N 36 122.386 122.386 125.148 -2.762 19201 3633 1 10 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.888 0.043 19201 3634 1 10 . 1 1 36 36 VAL C C 36 176.320 176.320 175.955 0.365 19201 3635 1 10 . 1 1 36 36 VAL CA C 36 60.355 60.355 59.899 0.456 19201 3636 1 10 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.623 0.983 19201 3637 1 10 . 1 1 36 36 VAL H H 36 8.313 8.313 8.448 -0.135 19201 3638 1 10 . 1 1 37 37 CYS N N 37 130.378 130.378 128.599 1.779 19201 3639 1 10 . 1 1 37 37 CYS HA H 37 4.904 4.904 4.929 -0.025 19201 3640 1 10 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.093 1.367 19201 3641 1 10 . 1 1 37 37 CYS CB C 37 30.638 30.638 27.581 3.057 19201 3642 1 10 . 1 1 37 37 CYS H H 37 9.165 9.165 9.190 -0.025 19201 3643 1 10 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.316 0.267 19201 3644 1 10 . 1 1 38 38 PRO C C 38 176.933 176.933 176.818 0.115 19201 3645 1 10 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.918 -1.698 19201 3646 1 10 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.842 0.473 19201 3647 1 10 . 1 1 39 39 MET N N 39 119.180 119.180 113.552 5.628 19201 3648 1 10 . 1 1 39 39 MET HA H 39 4.534 4.534 4.442 0.092 19201 3649 1 10 . 1 1 39 39 MET C C 39 176.454 176.454 177.185 -0.731 19201 3650 1 10 . 1 1 39 39 MET CA C 39 55.971 55.971 56.133 -0.162 19201 3651 1 10 . 1 1 39 39 MET CB C 39 32.539 32.539 32.444 0.095 19201 3652 1 10 . 1 1 39 39 MET H H 39 9.054 9.054 7.990 1.064 19201 3653 1 10 . 1 1 40 40 CYS N N 40 118.414 118.414 117.115 1.299 19201 3654 1 10 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.632 0.391 19201 3655 1 10 . 1 1 40 40 CYS C C 40 175.288 175.288 175.285 0.003 19201 3656 1 10 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.624 -0.054 19201 3657 1 10 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.360 3.341 19201 3658 1 10 . 1 1 40 40 CYS H H 40 8.096 8.096 7.616 0.480 19201 3659 1 10 . 1 1 41 41 SER N N 41 113.638 113.638 113.070 0.568 19201 3660 1 10 . 1 1 41 41 SER HA H 41 4.291 4.291 4.168 0.123 19201 3661 1 10 . 1 1 41 41 SER C C 41 173.193 173.193 173.090 0.103 19201 3662 1 10 . 1 1 41 41 SER CA C 41 60.401 60.401 59.591 0.810 19201 3663 1 10 . 1 1 41 41 SER CB C 41 62.177 62.177 61.853 0.324 19201 3664 1 10 . 1 1 41 41 SER H H 41 7.916 7.916 8.610 -0.694 19201 3665 1 10 . 1 1 42 42 GLU N N 42 124.849 124.849 120.614 4.235 19201 3666 1 10 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.354 -0.435 19201 3667 1 10 . 1 1 42 42 GLU C C 42 174.373 174.373 175.059 -0.686 19201 3668 1 10 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.260 3.090 19201 3669 1 10 . 1 1 42 42 GLU CB C 42 29.652 29.652 30.994 -1.342 19201 3670 1 10 . 1 1 42 42 GLU H H 42 8.483 8.483 7.816 0.667 19201 3671 1 10 . 1 1 43 43 GLN N N 43 122.061 122.061 122.893 -0.832 19201 3672 1 10 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.657 0.385 19201 3673 1 10 . 1 1 43 43 GLN C C 43 175.251 175.251 175.004 0.247 19201 3674 1 10 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.604 -0.210 19201 3675 1 10 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.801 0.421 19201 3676 1 10 . 1 1 43 43 GLN H H 43 8.047 8.047 8.610 -0.563 19201 3677 1 10 . 1 1 44 44 PHE N N 44 122.827 122.827 123.933 -1.106 19201 3678 1 10 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.688 -0.010 19201 3679 1 10 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.328 -0.334 19201 3680 1 10 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.917 -0.009 19201 3681 1 10 . 1 1 44 44 PHE H H 44 9.312 9.312 8.889 0.423 19201 3682 1 10 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.233 -0.702 19201 3683 1 10 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.426 -0.215 19201 3684 1 10 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.445 -0.556 19201 3685 1 10 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.371 -0.207 19201 3686 1 10 . 1 1 46 46 PRO C C 46 176.621 176.621 176.458 0.163 19201 3687 1 10 . 1 1 46 46 PRO CA C 46 64.451 64.451 64.387 0.064 19201 3688 1 10 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.976 -0.086 19201 3689 1 10 . 1 1 47 47 ASP N N 47 113.411 113.411 116.872 -3.461 19201 3690 1 10 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.536 -0.060 19201 3691 1 10 . 1 1 47 47 ASP C C 47 175.831 175.831 176.259 -0.428 19201 3692 1 10 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.023 -1.140 19201 3693 1 10 . 1 1 47 47 ASP CB C 47 39.551 39.551 41.005 -1.454 19201 3694 1 10 . 1 1 47 47 ASP H H 47 8.028 8.028 8.113 -0.085 19201 3695 1 10 . 1 1 48 48 TYR N N 48 122.527 122.527 119.612 2.915 19201 3696 1 10 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.354 -0.151 19201 3697 1 10 . 1 1 48 48 TYR C C 48 175.189 175.189 174.929 0.260 19201 3698 1 10 . 1 1 48 48 TYR CA C 48 58.809 58.809 59.070 -0.261 19201 3699 1 10 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.269 0.038 19201 3700 1 10 . 1 1 48 48 TYR H H 48 7.812 7.812 7.741 0.071 19201 3701 1 10 . 1 1 49 49 ASP N N 49 125.426 125.426 122.824 2.602 19201 3702 1 10 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.640 -0.331 19201 3703 1 10 . 1 1 49 49 ASP C C 49 176.996 176.996 176.938 0.058 19201 3704 1 10 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.147 0.730 19201 3705 1 10 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.401 -0.096 19201 3706 1 10 . 1 1 49 49 ASP H H 49 8.012 8.012 8.259 -0.247 19201 3707 1 10 . 1 1 50 50 GLN N N 50 126.958 126.958 124.555 2.403 19201 3708 1 10 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.145 -0.156 19201 3709 1 10 . 1 1 50 50 GLN C C 50 177.779 177.779 178.138 -0.359 19201 3710 1 10 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.291 -0.373 19201 3711 1 10 . 1 1 50 50 GLN CB C 50 28.258 28.258 29.257 -0.999 19201 3712 1 10 . 1 1 50 50 GLN H H 50 8.873 8.873 8.954 -0.081 19201 3713 1 10 . 1 1 51 51 GLN N N 51 117.767 117.767 118.998 -1.231 19201 3714 1 10 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.144 0.009 19201 3715 1 10 . 1 1 51 51 GLN C C 51 179.003 179.003 178.290 0.713 19201 3716 1 10 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.996 0.134 19201 3717 1 10 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.317 0.053 19201 3718 1 10 . 1 1 51 51 GLN H H 51 8.425 8.425 8.937 -0.512 19201 3719 1 10 . 1 1 52 52 VAL N N 52 122.144 122.144 120.369 1.775 19201 3720 1 10 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.825 -0.262 19201 3721 1 10 . 1 1 52 52 VAL C C 52 179.252 179.252 177.710 1.542 19201 3722 1 10 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.973 0.557 19201 3723 1 10 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.634 -0.019 19201 3724 1 10 . 1 1 52 52 VAL H H 52 7.864 7.864 7.270 0.594 19201 3725 1 10 . 1 1 53 53 PHE N N 53 122.104 122.104 121.958 0.146 19201 3726 1 10 . 1 1 53 53 PHE HA H 53 3.776 3.776 3.943 -0.167 19201 3727 1 10 . 1 1 53 53 PHE C C 53 176.497 176.497 176.743 -0.246 19201 3728 1 10 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.441 0.076 19201 3729 1 10 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.300 -0.197 19201 3730 1 10 . 1 1 53 53 PHE H H 53 8.291 8.291 8.562 -0.271 19201 3731 1 10 . 1 1 54 54 GLU N N 54 118.755 118.755 118.301 0.454 19201 3732 1 10 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.822 -0.132 19201 3733 1 10 . 1 1 54 54 GLU C C 54 179.450 179.450 179.511 -0.061 19201 3734 1 10 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.705 0.141 19201 3735 1 10 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.855 0.106 19201 3736 1 10 . 1 1 54 54 GLU H H 54 8.613 8.613 8.990 -0.377 19201 3737 1 10 . 1 1 55 55 ARG N N 55 119.023 119.023 118.489 0.534 19201 3738 1 10 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.099 -0.092 19201 3739 1 10 . 1 1 55 55 ARG C C 55 178.908 178.908 178.732 0.176 19201 3740 1 10 . 1 1 55 55 ARG CA C 55 59.150 59.150 59.010 0.140 19201 3741 1 10 . 1 1 55 55 ARG CB C 55 29.846 29.846 30.241 -0.395 19201 3742 1 10 . 1 1 55 55 ARG H H 55 8.006 8.006 7.540 0.466 19201 3743 1 10 . 1 1 56 56 HIS N N 56 119.517 119.517 119.657 -0.140 19201 3744 1 10 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.291 -0.179 19201 3745 1 10 . 1 1 56 56 HIS C C 56 178.078 178.078 177.520 0.558 19201 3746 1 10 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.565 0.792 19201 3747 1 10 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.519 -2.702 19201 3748 1 10 . 1 1 56 56 HIS H H 56 7.921 7.921 7.612 0.309 19201 3749 1 10 . 1 1 57 57 VAL N N 57 121.280 121.280 120.020 1.260 19201 3750 1 10 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.520 -0.076 19201 3751 1 10 . 1 1 57 57 VAL C C 57 177.845 177.845 178.335 -0.490 19201 3752 1 10 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.983 1.405 19201 3753 1 10 . 1 1 57 57 VAL CB C 57 31.749 31.749 30.568 1.181 19201 3754 1 10 . 1 1 57 57 VAL H H 57 8.131 8.131 8.189 -0.058 19201 3755 1 10 . 1 1 58 58 GLN N N 58 115.274 115.274 117.138 -1.864 19201 3756 1 10 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.333 -0.335 19201 3757 1 10 . 1 1 58 58 GLN C C 58 178.690 178.690 178.155 0.535 19201 3758 1 10 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.205 -0.254 19201 3759 1 10 . 1 1 58 58 GLN CB C 58 28.260 28.260 27.938 0.322 19201 3760 1 10 . 1 1 58 58 GLN H H 58 7.745 7.745 8.124 -0.379 19201 3761 1 10 . 1 1 59 59 THR N N 59 112.271 112.271 110.500 1.771 19201 3762 1 10 . 1 1 59 59 THR HA H 59 4.078 4.078 4.128 -0.050 19201 3763 1 10 . 1 1 59 59 THR C C 59 176.280 176.280 176.136 0.144 19201 3764 1 10 . 1 1 59 59 THR CA C 59 65.185 65.185 65.331 -0.146 19201 3765 1 10 . 1 1 59 59 THR CB C 59 69.186 69.186 69.063 0.123 19201 3766 1 10 . 1 1 59 59 THR H H 59 7.658 7.658 7.711 -0.053 19201 3767 1 10 . 1 1 60 60 HIS N N 60 117.387 117.387 120.928 -3.541 19201 3768 1 10 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.242 0.120 19201 3769 1 10 . 1 1 60 60 HIS C C 60 175.307 175.307 176.995 -1.688 19201 3770 1 10 . 1 1 60 60 HIS CA C 60 57.055 57.055 59.005 -1.950 19201 3771 1 10 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.965 -1.779 19201 3772 1 10 . 1 1 60 60 HIS H H 60 7.226 7.226 7.658 -0.432 19201 3773 1 10 . 1 1 61 61 PHE N N 61 118.105 118.105 117.012 1.093 19201 3774 1 10 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.429 0.218 19201 3775 1 10 . 1 1 61 61 PHE C C 61 175.798 175.798 176.728 -0.930 19201 3776 1 10 . 1 1 61 61 PHE CA C 61 57.751 57.751 59.758 -2.007 19201 3777 1 10 . 1 1 61 61 PHE CB C 61 39.569 39.569 38.848 0.721 19201 3778 1 10 . 1 1 61 61 PHE H H 61 7.601 7.601 7.789 -0.188 19201 3779 1 10 . 1 1 62 62 ASP N N 62 120.979 120.979 119.733 1.246 19201 3780 1 10 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.519 0.058 19201 3781 1 10 . 1 1 62 62 ASP C C 62 176.531 176.531 176.978 -0.447 19201 3782 1 10 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.485 -1.597 19201 3783 1 10 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.482 -0.272 19201 3784 1 10 . 1 1 62 62 ASP H H 62 8.021 8.021 7.936 0.085 19201 3785 1 10 . 1 1 63 63 GLN N N 63 120.043 120.043 113.889 6.154 19201 3786 1 10 . 1 1 63 63 GLN HA H 63 4.271 4.271 4.241 0.030 19201 3787 1 10 . 1 1 63 63 GLN C C 63 175.955 175.955 175.685 0.270 19201 3788 1 10 . 1 1 63 63 GLN CA C 63 56.147 56.147 55.990 0.157 19201 3789 1 10 . 1 1 63 63 GLN CB C 63 29.184 29.184 29.995 -0.811 19201 3790 1 10 . 1 1 63 63 GLN H H 63 8.274 8.274 8.317 -0.043 19201 3791 1 10 . 1 1 64 64 ASN N N 64 119.150 119.150 117.074 2.076 19201 3792 1 10 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.275 0.393 19201 3793 1 10 . 1 1 64 64 ASN C C 64 175.159 175.159 174.603 0.556 19201 3794 1 10 . 1 1 64 64 ASN CA C 64 53.645 53.645 54.558 -0.913 19201 3795 1 10 . 1 1 64 64 ASN CB C 64 38.855 38.855 38.331 0.524 19201 3796 1 10 . 1 1 64 64 ASN H H 64 8.406 8.406 8.338 0.068 19201 3797 1 10 . 1 1 65 65 VAL N N 65 119.684 119.684 120.838 -1.154 19201 3798 1 10 . 1 1 65 65 VAL HA H 65 4.039 4.039 4.061 -0.022 19201 3799 1 10 . 1 1 65 65 VAL C C 65 175.835 175.835 175.003 0.832 19201 3800 1 10 . 1 1 65 65 VAL CA C 65 62.523 62.523 62.133 0.390 19201 3801 1 10 . 1 1 65 65 VAL CB C 65 32.584 32.584 29.311 3.273 19201 3802 1 10 . 1 1 65 65 VAL H H 65 7.904 7.904 8.054 -0.150 19201 3803 1 10 . 1 1 66 66 LEU N N 66 124.819 124.819 125.318 -0.499 19201 3804 1 10 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.546 -0.279 19201 3805 1 10 . 1 1 66 66 LEU C C 66 176.316 176.316 176.134 0.182 19201 3806 1 10 . 1 1 66 66 LEU CA C 66 54.899 54.899 53.666 1.233 19201 3807 1 10 . 1 1 66 66 LEU CB C 66 42.404 42.404 43.529 -1.125 19201 3808 1 10 . 1 1 66 66 LEU H H 66 8.115 8.115 7.726 0.389 19201 3809 1 10 . 1 1 67 67 ASN N N 67 119.012 119.012 123.716 -4.704 19201 3810 1 10 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.820 -0.185 19201 3811 1 10 . 1 1 67 67 ASN C C 67 174.316 174.316 175.291 -0.975 19201 3812 1 10 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.118 -0.154 19201 3813 1 10 . 1 1 67 67 ASN CB C 67 39.576 39.576 38.291 1.285 19201 3814 1 10 . 1 1 67 67 ASN H H 67 8.057 8.057 8.679 -0.622 19201 3815 1 10 . 1 1 68 68 PHE N N 68 121.187 121.187 123.693 -2.506 19201 3816 1 10 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.159 0.495 19201 3817 1 10 . 1 1 68 68 PHE C C 68 174.610 174.610 173.642 0.968 19201 3818 1 10 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.485 -1.088 19201 3819 1 10 . 1 1 68 68 PHE CB C 68 39.724 39.724 38.165 1.559 19201 3820 1 10 . 1 1 68 68 PHE H H 68 8.208 8.208 8.650 -0.442 19201 3821 1 11 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.640 -0.209 19201 3822 1 11 . 1 1 2 2 PRO C C 2 176.542 176.542 175.912 0.630 19201 3823 1 11 . 1 1 2 2 PRO CA C 2 62.968 62.968 62.865 0.103 19201 3824 1 11 . 1 1 2 2 PRO CB C 2 32.299 32.299 31.976 0.323 19201 3825 1 11 . 1 1 3 3 HIS N N 3 119.528 119.528 124.691 -5.163 19201 3826 1 11 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.659 -0.016 19201 3827 1 11 . 1 1 3 3 HIS C C 3 174.598 174.598 174.707 -0.109 19201 3828 1 11 . 1 1 3 3 HIS CA C 3 55.726 55.726 55.573 0.153 19201 3829 1 11 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.654 -1.159 19201 3830 1 11 . 1 1 3 3 HIS H H 3 8.651 8.651 9.594 -0.943 19201 3831 1 11 . 1 1 4 4 MET N N 4 122.541 122.541 118.007 4.534 19201 3832 1 11 . 1 1 4 4 MET HA H 4 4.474 4.474 4.198 0.276 19201 3833 1 11 . 1 1 4 4 MET C C 4 175.419 175.419 174.712 0.707 19201 3834 1 11 . 1 1 4 4 MET CA C 4 55.207 55.207 54.568 0.639 19201 3835 1 11 . 1 1 4 4 MET CB C 4 33.158 33.158 31.601 1.557 19201 3836 1 11 . 1 1 4 4 MET H H 4 8.403 8.403 7.910 0.493 19201 3837 1 11 . 1 1 5 5 ASP N N 5 122.333 122.333 118.145 4.188 19201 3838 1 11 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.603 0.022 19201 3839 1 11 . 1 1 5 5 ASP C C 5 175.734 175.734 174.459 1.275 19201 3840 1 11 . 1 1 5 5 ASP CA C 5 54.259 54.259 53.798 0.461 19201 3841 1 11 . 1 1 5 5 ASP CB C 5 41.323 41.323 39.426 1.897 19201 3842 1 11 . 1 1 5 5 ASP H H 5 8.513 8.513 8.485 0.028 19201 3843 1 11 . 1 1 6 6 VAL N N 6 118.762 118.762 118.828 -0.066 19201 3844 1 11 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.274 -0.129 19201 3845 1 11 . 1 1 6 6 VAL C C 6 175.686 175.686 174.406 1.280 19201 3846 1 11 . 1 1 6 6 VAL CA C 6 61.855 61.855 60.995 0.860 19201 3847 1 11 . 1 1 6 6 VAL CB C 6 32.997 32.997 33.029 -0.032 19201 3848 1 11 . 1 1 6 6 VAL H H 6 8.011 8.011 7.705 0.306 19201 3849 1 11 . 1 1 7 7 HIS N N 7 121.430 121.430 117.941 3.489 19201 3850 1 11 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.661 -0.162 19201 3851 1 11 . 1 1 7 7 HIS C C 7 174.456 174.456 174.959 -0.503 19201 3852 1 11 . 1 1 7 7 HIS CA C 7 56.097 56.097 56.181 -0.084 19201 3853 1 11 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.314 0.310 19201 3854 1 11 . 1 1 7 7 HIS H H 7 8.323 8.323 7.739 0.584 19201 3855 1 11 . 1 1 8 8 LYS N N 8 122.591 122.591 120.618 1.973 19201 3856 1 11 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.512 -0.191 19201 3857 1 11 . 1 1 8 8 LYS C C 8 174.443 174.443 174.747 -0.304 19201 3858 1 11 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.419 0.477 19201 3859 1 11 . 1 1 8 8 LYS CB C 8 33.984 33.984 32.934 1.050 19201 3860 1 11 . 1 1 8 8 LYS H H 8 8.515 8.515 8.114 0.401 19201 3861 1 11 . 1 1 9 9 LYS N N 9 124.787 124.787 122.074 2.713 19201 3862 1 11 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.333 -0.155 19201 3863 1 11 . 1 1 9 9 LYS C C 9 176.374 176.374 176.210 0.164 19201 3864 1 11 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.836 -0.265 19201 3865 1 11 . 1 1 9 9 LYS CB C 9 35.487 35.487 35.517 -0.030 19201 3866 1 11 . 1 1 9 9 LYS H H 9 8.383 8.383 8.394 -0.011 19201 3867 1 11 . 1 1 10 10 CYS N N 10 129.698 129.698 125.231 4.467 19201 3868 1 11 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.847 -0.031 19201 3869 1 11 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.961 -0.001 19201 3870 1 11 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.193 3.538 19201 3871 1 11 . 1 1 10 10 CYS H H 10 8.999 8.999 8.944 0.055 19201 3872 1 11 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.383 0.199 19201 3873 1 11 . 1 1 11 11 PRO C C 11 177.219 177.219 176.065 1.154 19201 3874 1 11 . 1 1 11 11 PRO CA C 11 64.201 64.201 64.947 -0.746 19201 3875 1 11 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.696 0.625 19201 3876 1 11 . 1 1 12 12 LEU N N 12 121.846 121.846 118.239 3.607 19201 3877 1 11 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.460 -0.054 19201 3878 1 11 . 1 1 12 12 LEU C C 12 176.492 176.492 178.212 -1.720 19201 3879 1 11 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.808 -0.664 19201 3880 1 11 . 1 1 12 12 LEU CB C 12 43.242 43.242 41.107 2.135 19201 3881 1 11 . 1 1 12 12 LEU H H 12 9.347 9.347 7.794 1.553 19201 3882 1 11 . 1 1 13 13 CYS N N 13 119.509 119.509 112.467 7.042 19201 3883 1 11 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.720 0.221 19201 3884 1 11 . 1 1 13 13 CYS C C 13 173.792 173.792 175.376 -1.584 19201 3885 1 11 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.114 0.427 19201 3886 1 11 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.274 1.615 19201 3887 1 11 . 1 1 13 13 CYS H H 13 7.879 7.879 7.628 0.251 19201 3888 1 11 . 1 1 14 14 GLU N N 14 114.443 114.443 116.393 -1.950 19201 3889 1 11 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.083 0.081 19201 3890 1 11 . 1 1 14 14 GLU C C 14 175.831 175.831 176.111 -0.280 19201 3891 1 11 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.582 -0.183 19201 3892 1 11 . 1 1 14 14 GLU CB C 14 28.737 28.737 27.202 1.535 19201 3893 1 11 . 1 1 14 14 GLU H H 14 8.112 8.112 8.214 -0.102 19201 3894 1 11 . 1 1 15 15 LEU N N 15 124.338 124.338 121.608 2.730 19201 3895 1 11 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.159 -0.291 19201 3896 1 11 . 1 1 15 15 LEU C C 15 174.900 174.900 176.010 -1.110 19201 3897 1 11 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.415 1.690 19201 3898 1 11 . 1 1 15 15 LEU CB C 15 43.170 43.170 42.860 0.310 19201 3899 1 11 . 1 1 15 15 LEU H H 15 8.403 8.403 7.054 1.349 19201 3900 1 11 . 1 1 16 16 MET N N 16 121.138 121.138 124.779 -3.641 19201 3901 1 11 . 1 1 16 16 MET HA H 16 4.964 4.964 4.631 0.333 19201 3902 1 11 . 1 1 16 16 MET C C 16 175.457 175.457 175.069 0.388 19201 3903 1 11 . 1 1 16 16 MET CA C 16 53.699 53.699 54.917 -1.218 19201 3904 1 11 . 1 1 16 16 MET CB C 16 34.779 34.779 34.137 0.642 19201 3905 1 11 . 1 1 16 16 MET H H 16 7.738 7.738 7.992 -0.254 19201 3906 1 11 . 1 1 17 17 PHE N N 17 122.417 122.417 126.857 -4.440 19201 3907 1 11 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.813 -0.279 19201 3908 1 11 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.645 -0.075 19201 3909 1 11 . 1 1 17 17 PHE CB C 17 39.801 39.801 38.725 1.076 19201 3910 1 11 . 1 1 17 17 PHE H H 17 8.868 8.868 8.745 0.123 19201 3911 1 11 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.234 -0.677 19201 3912 1 11 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.452 1.144 19201 3913 1 11 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.806 -0.741 19201 3914 1 11 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.406 -0.185 19201 3915 1 11 . 1 1 19 19 PRO C C 19 176.899 176.899 175.825 1.074 19201 3916 1 11 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.961 0.212 19201 3917 1 11 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.260 1.570 19201 3918 1 11 . 1 1 20 20 ASN N N 20 113.731 113.731 116.677 -2.946 19201 3919 1 11 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.645 -0.084 19201 3920 1 11 . 1 1 20 20 ASN C C 20 174.737 174.737 174.888 -0.151 19201 3921 1 11 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.928 -0.044 19201 3922 1 11 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.531 -2.260 19201 3923 1 11 . 1 1 20 20 ASN H H 20 8.330 8.330 8.372 -0.042 19201 3924 1 11 . 1 1 21 21 TYR N N 21 121.548 121.548 120.995 0.553 19201 3925 1 11 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.716 -0.512 19201 3926 1 11 . 1 1 21 21 TYR C C 21 174.916 174.916 174.709 0.207 19201 3927 1 11 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.282 1.659 19201 3928 1 11 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.354 0.100 19201 3929 1 11 . 1 1 21 21 TYR H H 21 7.666 7.666 7.804 -0.138 19201 3930 1 11 . 1 1 22 22 ASP N N 22 126.191 126.191 122.578 3.613 19201 3931 1 11 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.554 -0.290 19201 3932 1 11 . 1 1 22 22 ASP C C 22 176.536 176.536 176.678 -0.142 19201 3933 1 11 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.453 2.474 19201 3934 1 11 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.519 -1.192 19201 3935 1 11 . 1 1 22 22 ASP H H 22 7.832 7.832 8.455 -0.623 19201 3936 1 11 . 1 1 23 23 GLN N N 23 127.794 127.794 125.138 2.656 19201 3937 1 11 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.125 -0.135 19201 3938 1 11 . 1 1 23 23 GLN C C 23 178.011 178.011 177.711 0.300 19201 3939 1 11 . 1 1 23 23 GLN CA C 23 58.955 58.955 58.943 0.012 19201 3940 1 11 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.708 -0.726 19201 3941 1 11 . 1 1 23 23 GLN H H 23 8.891 8.891 8.830 0.061 19201 3942 1 11 . 1 1 24 24 SER N N 24 115.542 115.542 113.042 2.500 19201 3943 1 11 . 1 1 24 24 SER HA H 24 4.298 4.298 4.290 0.008 19201 3944 1 11 . 1 1 24 24 SER C C 24 177.419 177.419 176.423 0.996 19201 3945 1 11 . 1 1 24 24 SER CA C 24 61.975 61.975 60.860 1.115 19201 3946 1 11 . 1 1 24 24 SER CB C 24 61.975 61.975 62.799 -0.824 19201 3947 1 11 . 1 1 24 24 SER H H 24 8.479 8.479 8.471 0.008 19201 3948 1 11 . 1 1 25 25 LYS N N 25 123.099 123.099 122.033 1.066 19201 3949 1 11 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.158 0.021 19201 3950 1 11 . 1 1 25 25 LYS C C 25 180.064 180.064 179.173 0.891 19201 3951 1 11 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.367 -0.062 19201 3952 1 11 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.817 -0.146 19201 3953 1 11 . 1 1 25 25 LYS H H 25 7.734 7.734 7.689 0.045 19201 3954 1 11 . 1 1 26 26 PHE N N 26 123.746 123.746 121.319 2.427 19201 3955 1 11 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.779 0.071 19201 3956 1 11 . 1 1 26 26 PHE C C 26 176.469 176.469 176.712 -0.243 19201 3957 1 11 . 1 1 26 26 PHE CA C 26 61.759 61.759 60.949 0.810 19201 3958 1 11 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.713 0.450 19201 3959 1 11 . 1 1 26 26 PHE H H 26 8.414 8.414 8.723 -0.309 19201 3960 1 11 . 1 1 27 27 GLU N N 27 118.957 118.957 118.091 0.866 19201 3961 1 11 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.711 0.030 19201 3962 1 11 . 1 1 27 27 GLU C C 27 178.777 178.777 179.153 -0.376 19201 3963 1 11 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.386 0.231 19201 3964 1 11 . 1 1 27 27 GLU CB C 27 28.682 28.682 28.762 -0.080 19201 3965 1 11 . 1 1 27 27 GLU H H 27 8.497 8.497 7.734 0.763 19201 3966 1 11 . 1 1 28 28 GLU N N 28 118.812 118.812 117.669 1.143 19201 3967 1 11 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.054 -0.133 19201 3968 1 11 . 1 1 28 28 GLU C C 28 179.241 179.241 178.117 1.124 19201 3969 1 11 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.444 0.801 19201 3970 1 11 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.354 0.405 19201 3971 1 11 . 1 1 28 28 GLU H H 28 7.967 7.967 8.037 -0.070 19201 3972 1 11 . 1 1 29 29 HIS N N 29 118.117 118.117 118.692 -0.575 19201 3973 1 11 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.494 -0.351 19201 3974 1 11 . 1 1 29 29 HIS C C 29 178.484 178.484 177.029 1.455 19201 3975 1 11 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.887 1.468 19201 3976 1 11 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.559 -3.498 19201 3977 1 11 . 1 1 29 29 HIS H H 29 7.791 7.791 7.583 0.208 19201 3978 1 11 . 1 1 30 30 VAL N N 30 122.416 122.416 120.226 2.190 19201 3979 1 11 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.631 -0.223 19201 3980 1 11 . 1 1 30 30 VAL C C 30 178.303 178.303 177.447 0.856 19201 3981 1 11 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.561 1.314 19201 3982 1 11 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.745 0.022 19201 3983 1 11 . 1 1 30 30 VAL H H 30 8.202 8.202 7.905 0.297 19201 3984 1 11 . 1 1 31 31 GLU N N 31 115.746 115.746 114.609 1.137 19201 3985 1 11 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.417 0.308 19201 3986 1 11 . 1 1 31 31 GLU C C 31 178.071 178.071 176.565 1.506 19201 3987 1 11 . 1 1 31 31 GLU CA C 31 58.027 58.027 56.997 1.030 19201 3988 1 11 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.747 0.024 19201 3989 1 11 . 1 1 31 31 GLU H H 31 7.969 7.969 8.211 -0.242 19201 3990 1 11 . 1 1 32 32 SER N N 32 115.845 115.845 113.768 2.077 19201 3991 1 11 . 1 1 32 32 SER HA H 32 4.223 4.223 4.292 -0.069 19201 3992 1 11 . 1 1 32 32 SER C C 32 174.855 174.855 175.235 -0.380 19201 3993 1 11 . 1 1 32 32 SER CA C 32 60.645 60.645 59.479 1.166 19201 3994 1 11 . 1 1 32 32 SER CB C 32 62.815 62.815 63.818 -1.003 19201 3995 1 11 . 1 1 32 32 SER H H 32 7.584 7.584 7.446 0.138 19201 3996 1 11 . 1 1 33 33 HIS N N 33 118.635 118.635 119.107 -0.472 19201 3997 1 11 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.476 -0.027 19201 3998 1 11 . 1 1 33 33 HIS C C 33 175.524 175.524 176.259 -0.735 19201 3999 1 11 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.380 -1.354 19201 4000 1 11 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.433 -1.130 19201 4001 1 11 . 1 1 33 33 HIS H H 33 7.286 7.286 7.640 -0.354 19201 4002 1 11 . 1 1 34 34 TRP N N 34 121.219 121.219 120.761 0.458 19201 4003 1 11 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.855 -0.519 19201 4004 1 11 . 1 1 34 34 TRP C C 34 175.644 175.644 176.611 -0.967 19201 4005 1 11 . 1 1 34 34 TRP CA C 34 58.324 58.324 56.887 1.437 19201 4006 1 11 . 1 1 34 34 TRP CB C 34 29.262 29.262 29.030 0.232 19201 4007 1 11 . 1 1 34 34 TRP H H 34 7.949 7.949 7.715 0.234 19201 4008 1 11 . 1 1 35 35 LYS N N 35 122.872 122.872 124.256 -1.384 19201 4009 1 11 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.262 0.078 19201 4010 1 11 . 1 1 35 35 LYS C C 35 175.286 175.286 175.619 -0.333 19201 4011 1 11 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.496 1.110 19201 4012 1 11 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.773 1.612 19201 4013 1 11 . 1 1 35 35 LYS H H 35 8.581 8.581 8.739 -0.158 19201 4014 1 11 . 1 1 36 36 VAL N N 36 122.386 122.386 125.412 -3.026 19201 4015 1 11 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.669 0.262 19201 4016 1 11 . 1 1 36 36 VAL C C 36 176.320 176.320 176.121 0.199 19201 4017 1 11 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.536 -0.181 19201 4018 1 11 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.417 1.190 19201 4019 1 11 . 1 1 36 36 VAL H H 36 8.313 8.313 8.404 -0.091 19201 4020 1 11 . 1 1 37 37 CYS N N 37 130.378 130.378 129.467 0.911 19201 4021 1 11 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.155 -0.251 19201 4022 1 11 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.122 1.338 19201 4023 1 11 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.113 2.525 19201 4024 1 11 . 1 1 37 37 CYS H H 37 9.165 9.165 9.272 -0.107 19201 4025 1 11 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.433 0.150 19201 4026 1 11 . 1 1 38 38 PRO C C 38 176.933 176.933 177.074 -0.141 19201 4027 1 11 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.694 -1.474 19201 4028 1 11 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.984 0.331 19201 4029 1 11 . 1 1 39 39 MET N N 39 119.180 119.180 114.945 4.235 19201 4030 1 11 . 1 1 39 39 MET HA H 39 4.534 4.534 4.607 -0.073 19201 4031 1 11 . 1 1 39 39 MET C C 39 176.454 176.454 176.891 -0.437 19201 4032 1 11 . 1 1 39 39 MET CA C 39 55.971 55.971 57.004 -1.033 19201 4033 1 11 . 1 1 39 39 MET CB C 39 32.539 32.539 33.597 -1.058 19201 4034 1 11 . 1 1 39 39 MET H H 39 9.054 9.054 7.903 1.151 19201 4035 1 11 . 1 1 40 40 CYS N N 40 118.414 118.414 117.817 0.597 19201 4036 1 11 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.649 0.374 19201 4037 1 11 . 1 1 40 40 CYS C C 40 175.288 175.288 175.686 -0.398 19201 4038 1 11 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.456 0.114 19201 4039 1 11 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.609 3.092 19201 4040 1 11 . 1 1 40 40 CYS H H 40 8.096 8.096 7.898 0.198 19201 4041 1 11 . 1 1 41 41 SER N N 41 113.638 113.638 114.844 -1.206 19201 4042 1 11 . 1 1 41 41 SER HA H 41 4.291 4.291 4.298 -0.007 19201 4043 1 11 . 1 1 41 41 SER C C 41 173.193 173.193 173.458 -0.265 19201 4044 1 11 . 1 1 41 41 SER CA C 41 60.401 60.401 59.684 0.717 19201 4045 1 11 . 1 1 41 41 SER CB C 41 62.177 62.177 60.939 1.238 19201 4046 1 11 . 1 1 41 41 SER H H 41 7.916 7.916 8.474 -0.558 19201 4047 1 11 . 1 1 42 42 GLU N N 42 124.849 124.849 120.430 4.419 19201 4048 1 11 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.555 -0.636 19201 4049 1 11 . 1 1 42 42 GLU C C 42 174.373 174.373 175.175 -0.802 19201 4050 1 11 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.010 3.340 19201 4051 1 11 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.948 -2.296 19201 4052 1 11 . 1 1 42 42 GLU H H 42 8.483 8.483 8.191 0.292 19201 4053 1 11 . 1 1 43 43 GLN N N 43 122.061 122.061 122.673 -0.612 19201 4054 1 11 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.822 0.220 19201 4055 1 11 . 1 1 43 43 GLN C C 43 175.251 175.251 175.230 0.021 19201 4056 1 11 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.089 -0.695 19201 4057 1 11 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.552 0.670 19201 4058 1 11 . 1 1 43 43 GLN H H 43 8.047 8.047 8.734 -0.687 19201 4059 1 11 . 1 1 44 44 PHE N N 44 122.827 122.827 123.997 -1.170 19201 4060 1 11 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.727 -0.049 19201 4061 1 11 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.635 -0.640 19201 4062 1 11 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.426 0.482 19201 4063 1 11 . 1 1 44 44 PHE H H 44 9.312 9.312 9.126 0.186 19201 4064 1 11 . 1 1 45 45 PRO HA H 45 3.531 3.531 3.920 -0.389 19201 4065 1 11 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.531 -0.320 19201 4066 1 11 . 1 1 45 45 PRO CB C 45 30.889 30.889 30.681 0.208 19201 4067 1 11 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.698 -0.534 19201 4068 1 11 . 1 1 46 46 PRO C C 46 176.621 176.621 176.938 -0.317 19201 4069 1 11 . 1 1 46 46 PRO CA C 46 64.451 64.451 64.898 -0.447 19201 4070 1 11 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.911 -0.021 19201 4071 1 11 . 1 1 47 47 ASP N N 47 113.411 113.411 114.653 -1.242 19201 4072 1 11 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.557 -0.081 19201 4073 1 11 . 1 1 47 47 ASP C C 47 175.831 175.831 175.992 -0.161 19201 4074 1 11 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.635 -1.752 19201 4075 1 11 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.696 -1.145 19201 4076 1 11 . 1 1 47 47 ASP H H 47 8.028 8.028 8.297 -0.269 19201 4077 1 11 . 1 1 48 48 TYR N N 48 122.527 122.527 122.010 0.517 19201 4078 1 11 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.298 -0.095 19201 4079 1 11 . 1 1 48 48 TYR C C 48 175.189 175.189 174.393 0.796 19201 4080 1 11 . 1 1 48 48 TYR CA C 48 58.809 58.809 59.122 -0.313 19201 4081 1 11 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.132 0.175 19201 4082 1 11 . 1 1 48 48 TYR H H 48 7.812 7.812 7.696 0.116 19201 4083 1 11 . 1 1 49 49 ASP N N 49 125.426 125.426 125.649 -0.223 19201 4084 1 11 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.645 -0.336 19201 4085 1 11 . 1 1 49 49 ASP C C 49 176.996 176.996 177.264 -0.268 19201 4086 1 11 . 1 1 49 49 ASP CA C 49 54.877 54.877 53.917 0.960 19201 4087 1 11 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.424 -1.119 19201 4088 1 11 . 1 1 49 49 ASP H H 49 8.012 8.012 8.372 -0.360 19201 4089 1 11 . 1 1 50 50 GLN N N 50 126.958 126.958 122.689 4.269 19201 4090 1 11 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.100 -0.111 19201 4091 1 11 . 1 1 50 50 GLN C C 50 177.779 177.779 178.307 -0.528 19201 4092 1 11 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.705 -0.787 19201 4093 1 11 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.803 -0.545 19201 4094 1 11 . 1 1 50 50 GLN H H 50 8.873 8.873 8.854 0.019 19201 4095 1 11 . 1 1 51 51 GLN N N 51 117.767 117.767 118.084 -0.317 19201 4096 1 11 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.175 -0.022 19201 4097 1 11 . 1 1 51 51 GLN C C 51 179.003 179.003 178.604 0.399 19201 4098 1 11 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.958 0.172 19201 4099 1 11 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.863 -0.493 19201 4100 1 11 . 1 1 51 51 GLN H H 51 8.425 8.425 8.575 -0.150 19201 4101 1 11 . 1 1 52 52 VAL N N 52 122.144 122.144 119.858 2.286 19201 4102 1 11 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.684 -0.121 19201 4103 1 11 . 1 1 52 52 VAL C C 52 179.252 179.252 178.048 1.204 19201 4104 1 11 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.599 0.931 19201 4105 1 11 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.348 0.267 19201 4106 1 11 . 1 1 52 52 VAL H H 52 7.864 7.864 7.449 0.415 19201 4107 1 11 . 1 1 53 53 PHE N N 53 122.104 122.104 121.983 0.121 19201 4108 1 11 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.250 -0.474 19201 4109 1 11 . 1 1 53 53 PHE C C 53 176.497 176.497 176.914 -0.417 19201 4110 1 11 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.282 0.235 19201 4111 1 11 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.284 -0.181 19201 4112 1 11 . 1 1 53 53 PHE H H 53 8.291 8.291 8.596 -0.305 19201 4113 1 11 . 1 1 54 54 GLU N N 54 118.755 118.755 119.257 -0.502 19201 4114 1 11 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.823 -0.133 19201 4115 1 11 . 1 1 54 54 GLU C C 54 179.450 179.450 179.140 0.310 19201 4116 1 11 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.441 0.405 19201 4117 1 11 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.317 -0.356 19201 4118 1 11 . 1 1 54 54 GLU H H 54 8.613 8.613 8.478 0.135 19201 4119 1 11 . 1 1 55 55 ARG N N 55 119.023 119.023 118.400 0.623 19201 4120 1 11 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.043 -0.036 19201 4121 1 11 . 1 1 55 55 ARG C C 55 178.908 178.908 178.817 0.091 19201 4122 1 11 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.373 0.777 19201 4123 1 11 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.460 0.386 19201 4124 1 11 . 1 1 55 55 ARG H H 55 8.006 8.006 8.204 -0.198 19201 4125 1 11 . 1 1 56 56 HIS N N 56 119.517 119.517 119.488 0.029 19201 4126 1 11 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.340 -0.228 19201 4127 1 11 . 1 1 56 56 HIS C C 56 178.078 178.078 178.009 0.069 19201 4128 1 11 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.253 1.104 19201 4129 1 11 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.315 -2.498 19201 4130 1 11 . 1 1 56 56 HIS H H 56 7.921 7.921 7.602 0.319 19201 4131 1 11 . 1 1 57 57 VAL N N 57 121.280 121.280 120.761 0.519 19201 4132 1 11 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.645 -0.201 19201 4133 1 11 . 1 1 57 57 VAL C C 57 177.845 177.845 178.162 -0.317 19201 4134 1 11 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.886 1.502 19201 4135 1 11 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.128 0.621 19201 4136 1 11 . 1 1 57 57 VAL H H 57 8.131 8.131 7.557 0.574 19201 4137 1 11 . 1 1 58 58 GLN N N 58 115.274 115.274 117.237 -1.963 19201 4138 1 11 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.372 -0.374 19201 4139 1 11 . 1 1 58 58 GLN C C 58 178.690 178.690 178.387 0.303 19201 4140 1 11 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.378 -0.427 19201 4141 1 11 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.345 -0.084 19201 4142 1 11 . 1 1 58 58 GLN H H 58 7.745 7.745 7.938 -0.193 19201 4143 1 11 . 1 1 59 59 THR N N 59 112.271 112.271 112.279 -0.008 19201 4144 1 11 . 1 1 59 59 THR HA H 59 4.078 4.078 4.112 -0.034 19201 4145 1 11 . 1 1 59 59 THR C C 59 176.280 176.280 176.711 -0.431 19201 4146 1 11 . 1 1 59 59 THR CA C 59 65.185 65.185 65.834 -0.649 19201 4147 1 11 . 1 1 59 59 THR CB C 59 69.186 69.186 68.769 0.417 19201 4148 1 11 . 1 1 59 59 THR H H 59 7.658 7.658 8.022 -0.364 19201 4149 1 11 . 1 1 60 60 HIS N N 60 117.387 117.387 120.821 -3.434 19201 4150 1 11 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.195 0.167 19201 4151 1 11 . 1 1 60 60 HIS C C 60 175.307 175.307 176.558 -1.251 19201 4152 1 11 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.183 -1.128 19201 4153 1 11 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.411 -1.225 19201 4154 1 11 . 1 1 60 60 HIS H H 60 7.226 7.226 7.824 -0.598 19201 4155 1 11 . 1 1 61 61 PHE N N 61 118.105 118.105 117.823 0.282 19201 4156 1 11 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.397 0.250 19201 4157 1 11 . 1 1 61 61 PHE C C 61 175.798 175.798 177.070 -1.272 19201 4158 1 11 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.359 -2.608 19201 4159 1 11 . 1 1 61 61 PHE CB C 61 39.569 39.569 38.690 0.879 19201 4160 1 11 . 1 1 61 61 PHE H H 61 7.601 7.601 7.313 0.288 19201 4161 1 11 . 1 1 62 62 ASP N N 62 120.979 120.979 119.858 1.121 19201 4162 1 11 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.437 0.140 19201 4163 1 11 . 1 1 62 62 ASP C C 62 176.531 176.531 177.183 -0.652 19201 4164 1 11 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.781 -1.893 19201 4165 1 11 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.616 -0.406 19201 4166 1 11 . 1 1 62 62 ASP H H 62 8.021 8.021 8.138 -0.117 19201 4167 1 11 . 1 1 63 63 GLN N N 63 120.043 120.043 117.792 2.251 19201 4168 1 11 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.953 0.318 19201 4169 1 11 . 1 1 63 63 GLN C C 63 175.955 175.955 175.617 0.338 19201 4170 1 11 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.259 -1.112 19201 4171 1 11 . 1 1 63 63 GLN CB C 63 29.184 29.184 27.329 1.855 19201 4172 1 11 . 1 1 63 63 GLN H H 63 8.274 8.274 8.354 -0.080 19201 4173 1 11 . 1 1 64 64 ASN N N 64 119.150 119.150 113.076 6.074 19201 4174 1 11 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.421 0.247 19201 4175 1 11 . 1 1 64 64 ASN C C 64 175.159 175.159 175.436 -0.277 19201 4176 1 11 . 1 1 64 64 ASN CA C 64 53.645 53.645 54.978 -1.333 19201 4177 1 11 . 1 1 64 64 ASN CB C 64 38.855 38.855 37.931 0.924 19201 4178 1 11 . 1 1 64 64 ASN H H 64 8.406 8.406 8.896 -0.490 19201 4179 1 11 . 1 1 65 65 VAL N N 65 119.684 119.684 110.961 8.723 19201 4180 1 11 . 1 1 65 65 VAL HA H 65 4.039 4.039 4.120 -0.081 19201 4181 1 11 . 1 1 65 65 VAL C C 65 175.835 175.835 176.118 -0.283 19201 4182 1 11 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.793 -1.270 19201 4183 1 11 . 1 1 65 65 VAL CB C 65 32.584 32.584 32.040 0.544 19201 4184 1 11 . 1 1 65 65 VAL H H 65 7.904 7.904 7.798 0.106 19201 4185 1 11 . 1 1 66 66 LEU N N 66 124.819 124.819 122.267 2.552 19201 4186 1 11 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.581 -0.314 19201 4187 1 11 . 1 1 66 66 LEU C C 66 176.316 176.316 175.758 0.558 19201 4188 1 11 . 1 1 66 66 LEU CA C 66 54.899 54.899 54.381 0.518 19201 4189 1 11 . 1 1 66 66 LEU CB C 66 42.404 42.404 40.047 2.357 19201 4190 1 11 . 1 1 66 66 LEU H H 66 8.115 8.115 7.352 0.763 19201 4191 1 11 . 1 1 67 67 ASN N N 67 119.012 119.012 122.950 -3.938 19201 4192 1 11 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.788 -0.153 19201 4193 1 11 . 1 1 67 67 ASN C C 67 174.316 174.316 174.615 -0.299 19201 4194 1 11 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.768 -0.804 19201 4195 1 11 . 1 1 67 67 ASN CB C 67 39.576 39.576 40.510 -0.934 19201 4196 1 11 . 1 1 67 67 ASN H H 67 8.057 8.057 8.483 -0.426 19201 4197 1 11 . 1 1 68 68 PHE N N 68 121.187 121.187 122.738 -1.551 19201 4198 1 11 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.771 -0.117 19201 4199 1 11 . 1 1 68 68 PHE C C 68 174.610 174.610 174.353 0.257 19201 4200 1 11 . 1 1 68 68 PHE CA C 68 57.397 57.397 57.267 0.130 19201 4201 1 11 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.513 0.211 19201 4202 1 11 . 1 1 68 68 PHE H H 68 8.208 8.208 8.144 0.064 19201 4203 1 12 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.562 -0.131 19201 4204 1 12 . 1 1 2 2 PRO C C 2 176.542 176.542 176.252 0.290 19201 4205 1 12 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.184 -0.216 19201 4206 1 12 . 1 1 2 2 PRO CB C 2 32.299 32.299 31.399 0.900 19201 4207 1 12 . 1 1 3 3 HIS N N 3 119.528 119.528 125.615 -6.087 19201 4208 1 12 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.362 0.281 19201 4209 1 12 . 1 1 3 3 HIS C C 3 174.598 174.598 175.361 -0.763 19201 4210 1 12 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.699 -0.973 19201 4211 1 12 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.141 -0.646 19201 4212 1 12 . 1 1 3 3 HIS H H 3 8.651 8.651 8.368 0.283 19201 4213 1 12 . 1 1 4 4 MET N N 4 122.541 122.541 119.956 2.585 19201 4214 1 12 . 1 1 4 4 MET HA H 4 4.474 4.474 4.324 0.150 19201 4215 1 12 . 1 1 4 4 MET C C 4 175.419 175.419 174.405 1.014 19201 4216 1 12 . 1 1 4 4 MET CA C 4 55.207 55.207 54.999 0.207 19201 4217 1 12 . 1 1 4 4 MET CB C 4 33.158 33.158 32.163 0.995 19201 4218 1 12 . 1 1 4 4 MET H H 4 8.403 8.403 8.058 0.345 19201 4219 1 12 . 1 1 5 5 ASP N N 5 122.333 122.333 122.493 -0.160 19201 4220 1 12 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.737 -0.112 19201 4221 1 12 . 1 1 5 5 ASP C C 5 175.734 175.734 175.228 0.506 19201 4222 1 12 . 1 1 5 5 ASP CA C 5 54.259 54.259 53.973 0.286 19201 4223 1 12 . 1 1 5 5 ASP CB C 5 41.323 41.323 41.724 -0.401 19201 4224 1 12 . 1 1 5 5 ASP H H 5 8.513 8.513 8.536 -0.023 19201 4225 1 12 . 1 1 6 6 VAL N N 6 118.762 118.762 125.850 -7.088 19201 4226 1 12 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.703 -0.558 19201 4227 1 12 . 1 1 6 6 VAL C C 6 175.686 175.686 175.449 0.237 19201 4228 1 12 . 1 1 6 6 VAL CA C 6 61.855 61.855 60.846 1.009 19201 4229 1 12 . 1 1 6 6 VAL CB C 6 32.997 32.997 31.127 1.870 19201 4230 1 12 . 1 1 6 6 VAL H H 6 8.011 8.011 8.612 -0.601 19201 4231 1 12 . 1 1 7 7 HIS N N 7 121.430 121.430 120.099 1.331 19201 4232 1 12 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.584 -0.085 19201 4233 1 12 . 1 1 7 7 HIS C C 7 174.456 174.456 174.926 -0.470 19201 4234 1 12 . 1 1 7 7 HIS CA C 7 56.097 56.097 56.285 -0.188 19201 4235 1 12 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.490 0.134 19201 4236 1 12 . 1 1 7 7 HIS H H 7 8.323 8.323 7.841 0.482 19201 4237 1 12 . 1 1 8 8 LYS N N 8 122.591 122.591 122.490 0.101 19201 4238 1 12 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.237 0.084 19201 4239 1 12 . 1 1 8 8 LYS C C 8 174.443 174.443 174.802 -0.359 19201 4240 1 12 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.702 1.194 19201 4241 1 12 . 1 1 8 8 LYS CB C 8 33.984 33.984 31.413 2.571 19201 4242 1 12 . 1 1 8 8 LYS H H 8 8.515 8.515 7.512 1.003 19201 4243 1 12 . 1 1 9 9 LYS N N 9 124.787 124.787 123.140 1.647 19201 4244 1 12 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.122 0.056 19201 4245 1 12 . 1 1 9 9 LYS C C 9 176.374 176.374 176.644 -0.270 19201 4246 1 12 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.614 -0.044 19201 4247 1 12 . 1 1 9 9 LYS CB C 9 35.487 35.487 33.815 1.672 19201 4248 1 12 . 1 1 9 9 LYS H H 9 8.383 8.383 7.955 0.428 19201 4249 1 12 . 1 1 10 10 CYS N N 10 129.698 129.698 125.466 4.232 19201 4250 1 12 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.859 -0.043 19201 4251 1 12 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.411 0.549 19201 4252 1 12 . 1 1 10 10 CYS CB C 10 30.731 30.731 26.879 3.852 19201 4253 1 12 . 1 1 10 10 CYS H H 10 8.999 8.999 8.838 0.161 19201 4254 1 12 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.368 0.214 19201 4255 1 12 . 1 1 11 11 PRO C C 11 177.219 177.219 176.378 0.841 19201 4256 1 12 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.377 -1.177 19201 4257 1 12 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.519 0.802 19201 4258 1 12 . 1 1 12 12 LEU N N 12 121.846 121.846 117.678 4.168 19201 4259 1 12 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.302 0.104 19201 4260 1 12 . 1 1 12 12 LEU C C 12 176.492 176.492 178.424 -1.932 19201 4261 1 12 . 1 1 12 12 LEU CA C 12 55.144 55.144 57.216 -2.072 19201 4262 1 12 . 1 1 12 12 LEU CB C 12 43.242 43.242 41.571 1.671 19201 4263 1 12 . 1 1 12 12 LEU H H 12 9.347 9.347 7.876 1.471 19201 4264 1 12 . 1 1 13 13 CYS N N 13 119.509 119.509 113.016 6.493 19201 4265 1 12 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.677 0.264 19201 4266 1 12 . 1 1 13 13 CYS C C 13 173.792 173.792 175.366 -1.574 19201 4267 1 12 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.464 0.077 19201 4268 1 12 . 1 1 13 13 CYS CB C 13 30.889 30.889 30.136 0.753 19201 4269 1 12 . 1 1 13 13 CYS H H 13 7.879 7.879 7.766 0.113 19201 4270 1 12 . 1 1 14 14 GLU N N 14 114.443 114.443 117.733 -3.290 19201 4271 1 12 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.033 0.131 19201 4272 1 12 . 1 1 14 14 GLU C C 14 175.831 175.831 175.013 0.818 19201 4273 1 12 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.088 0.311 19201 4274 1 12 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.824 1.913 19201 4275 1 12 . 1 1 14 14 GLU H H 14 8.112 8.112 8.629 -0.517 19201 4276 1 12 . 1 1 15 15 LEU N N 15 124.338 124.338 121.168 3.170 19201 4277 1 12 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.331 -0.463 19201 4278 1 12 . 1 1 15 15 LEU C C 15 174.900 174.900 175.512 -0.612 19201 4279 1 12 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.127 1.978 19201 4280 1 12 . 1 1 15 15 LEU CB C 15 43.170 43.170 43.097 0.073 19201 4281 1 12 . 1 1 15 15 LEU H H 15 8.403 8.403 7.552 0.851 19201 4282 1 12 . 1 1 16 16 MET N N 16 121.138 121.138 119.982 1.156 19201 4283 1 12 . 1 1 16 16 MET HA H 16 4.964 4.964 5.293 -0.329 19201 4284 1 12 . 1 1 16 16 MET C C 16 175.457 175.457 174.946 0.511 19201 4285 1 12 . 1 1 16 16 MET CA C 16 53.699 53.699 54.228 -0.529 19201 4286 1 12 . 1 1 16 16 MET CB C 16 34.779 34.779 35.567 -0.788 19201 4287 1 12 . 1 1 16 16 MET H H 16 7.738 7.738 7.918 -0.180 19201 4288 1 12 . 1 1 17 17 PHE N N 17 122.417 122.417 120.253 2.164 19201 4289 1 12 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.082 -0.548 19201 4290 1 12 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.402 0.168 19201 4291 1 12 . 1 1 17 17 PHE CB C 17 39.801 39.801 40.499 -0.698 19201 4292 1 12 . 1 1 17 17 PHE H H 17 8.868 8.868 9.111 -0.243 19201 4293 1 12 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.273 -0.716 19201 4294 1 12 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.533 1.062 19201 4295 1 12 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.669 -0.604 19201 4296 1 12 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.557 -0.336 19201 4297 1 12 . 1 1 19 19 PRO C C 19 176.899 176.899 175.687 1.212 19201 4298 1 12 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.941 0.232 19201 4299 1 12 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.622 1.208 19201 4300 1 12 . 1 1 20 20 ASN N N 20 113.731 113.731 117.332 -3.601 19201 4301 1 12 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.759 -0.198 19201 4302 1 12 . 1 1 20 20 ASN C C 20 174.737 174.737 174.793 -0.056 19201 4303 1 12 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.949 -0.065 19201 4304 1 12 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.847 -2.576 19201 4305 1 12 . 1 1 20 20 ASN H H 20 8.330 8.330 8.227 0.103 19201 4306 1 12 . 1 1 21 21 TYR N N 21 121.548 121.548 121.027 0.521 19201 4307 1 12 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.657 -0.453 19201 4308 1 12 . 1 1 21 21 TYR C C 21 174.916 174.916 174.762 0.154 19201 4309 1 12 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.142 1.799 19201 4310 1 12 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.341 0.113 19201 4311 1 12 . 1 1 21 21 TYR H H 21 7.666 7.666 7.915 -0.249 19201 4312 1 12 . 1 1 22 22 ASP N N 22 126.191 126.191 121.960 4.231 19201 4313 1 12 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.575 -0.311 19201 4314 1 12 . 1 1 22 22 ASP C C 22 176.536 176.536 176.615 -0.079 19201 4315 1 12 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.832 2.095 19201 4316 1 12 . 1 1 22 22 ASP CB C 22 42.327 42.327 42.790 -0.463 19201 4317 1 12 . 1 1 22 22 ASP H H 22 7.832 7.832 8.460 -0.628 19201 4318 1 12 . 1 1 23 23 GLN N N 23 127.794 127.794 123.936 3.858 19201 4319 1 12 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.092 -0.102 19201 4320 1 12 . 1 1 23 23 GLN C C 23 178.011 178.011 178.369 -0.358 19201 4321 1 12 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.130 -0.175 19201 4322 1 12 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.482 -0.499 19201 4323 1 12 . 1 1 23 23 GLN H H 23 8.891 8.891 8.839 0.052 19201 4324 1 12 . 1 1 24 24 SER N N 24 115.542 115.542 114.101 1.441 19201 4325 1 12 . 1 1 24 24 SER HA H 24 4.298 4.298 4.296 0.002 19201 4326 1 12 . 1 1 24 24 SER C C 24 177.419 177.419 176.399 1.020 19201 4327 1 12 . 1 1 24 24 SER CA C 24 61.975 61.975 60.890 1.085 19201 4328 1 12 . 1 1 24 24 SER CB C 24 61.975 61.975 62.791 -0.816 19201 4329 1 12 . 1 1 24 24 SER H H 24 8.479 8.479 8.712 -0.233 19201 4330 1 12 . 1 1 25 25 LYS N N 25 123.099 123.099 122.264 0.835 19201 4331 1 12 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.379 -0.200 19201 4332 1 12 . 1 1 25 25 LYS C C 25 180.064 180.064 179.324 0.740 19201 4333 1 12 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.712 -0.407 19201 4334 1 12 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.987 -0.316 19201 4335 1 12 . 1 1 25 25 LYS H H 25 7.734 7.734 7.616 0.118 19201 4336 1 12 . 1 1 26 26 PHE N N 26 123.746 123.746 121.958 1.788 19201 4337 1 12 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.703 0.147 19201 4338 1 12 . 1 1 26 26 PHE C C 26 176.469 176.469 176.658 -0.189 19201 4339 1 12 . 1 1 26 26 PHE CA C 26 61.759 61.759 60.584 1.175 19201 4340 1 12 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.851 0.312 19201 4341 1 12 . 1 1 26 26 PHE H H 26 8.414 8.414 8.470 -0.056 19201 4342 1 12 . 1 1 27 27 GLU N N 27 118.957 118.957 118.157 0.800 19201 4343 1 12 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.584 0.157 19201 4344 1 12 . 1 1 27 27 GLU C C 27 178.777 178.777 178.897 -0.120 19201 4345 1 12 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.520 0.097 19201 4346 1 12 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.039 -0.357 19201 4347 1 12 . 1 1 27 27 GLU H H 27 8.497 8.497 7.963 0.534 19201 4348 1 12 . 1 1 28 28 GLU N N 28 118.812 118.812 117.378 1.434 19201 4349 1 12 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.952 -0.031 19201 4350 1 12 . 1 1 28 28 GLU C C 28 179.241 179.241 178.401 0.840 19201 4351 1 12 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.815 0.430 19201 4352 1 12 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.239 0.520 19201 4353 1 12 . 1 1 28 28 GLU H H 28 7.967 7.967 8.405 -0.438 19201 4354 1 12 . 1 1 29 29 HIS N N 29 118.117 118.117 119.699 -1.582 19201 4355 1 12 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.400 -0.257 19201 4356 1 12 . 1 1 29 29 HIS C C 29 178.484 178.484 176.919 1.565 19201 4357 1 12 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.849 1.506 19201 4358 1 12 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.051 -2.990 19201 4359 1 12 . 1 1 29 29 HIS H H 29 7.791 7.791 7.255 0.536 19201 4360 1 12 . 1 1 30 30 VAL N N 30 122.416 122.416 120.355 2.061 19201 4361 1 12 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.429 -0.021 19201 4362 1 12 . 1 1 30 30 VAL C C 30 178.303 178.303 177.564 0.739 19201 4363 1 12 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.127 1.748 19201 4364 1 12 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.478 0.289 19201 4365 1 12 . 1 1 30 30 VAL H H 30 8.202 8.202 7.960 0.242 19201 4366 1 12 . 1 1 31 31 GLU N N 31 115.746 115.746 115.634 0.112 19201 4367 1 12 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.936 0.789 19201 4368 1 12 . 1 1 31 31 GLU C C 31 178.071 178.071 176.703 1.368 19201 4369 1 12 . 1 1 31 31 GLU CA C 31 58.027 58.027 57.609 0.418 19201 4370 1 12 . 1 1 31 31 GLU CB C 31 28.771 28.771 29.063 -0.292 19201 4371 1 12 . 1 1 31 31 GLU H H 31 7.969 7.969 7.835 0.134 19201 4372 1 12 . 1 1 32 32 SER N N 32 115.845 115.845 112.515 3.330 19201 4373 1 12 . 1 1 32 32 SER HA H 32 4.223 4.223 4.136 0.087 19201 4374 1 12 . 1 1 32 32 SER C C 32 174.855 174.855 175.512 -0.657 19201 4375 1 12 . 1 1 32 32 SER CA C 32 60.645 60.645 60.333 0.312 19201 4376 1 12 . 1 1 32 32 SER CB C 32 62.815 62.815 63.225 -0.410 19201 4377 1 12 . 1 1 32 32 SER H H 32 7.584 7.584 7.294 0.290 19201 4378 1 12 . 1 1 33 33 HIS N N 33 118.635 118.635 117.748 0.887 19201 4379 1 12 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.420 0.029 19201 4380 1 12 . 1 1 33 33 HIS C C 33 175.524 175.524 176.262 -0.738 19201 4381 1 12 . 1 1 33 33 HIS CA C 33 57.026 57.026 57.941 -0.915 19201 4382 1 12 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.267 -0.964 19201 4383 1 12 . 1 1 33 33 HIS H H 33 7.286 7.286 7.440 -0.154 19201 4384 1 12 . 1 1 34 34 TRP N N 34 121.219 121.219 120.097 1.122 19201 4385 1 12 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.969 -0.633 19201 4386 1 12 . 1 1 34 34 TRP C C 34 175.644 175.644 176.892 -1.248 19201 4387 1 12 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.750 2.574 19201 4388 1 12 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.280 0.982 19201 4389 1 12 . 1 1 34 34 TRP H H 34 7.949 7.949 7.457 0.492 19201 4390 1 12 . 1 1 35 35 LYS N N 35 122.872 122.872 124.080 -1.208 19201 4391 1 12 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.260 0.080 19201 4392 1 12 . 1 1 35 35 LYS C C 35 175.286 175.286 176.075 -0.789 19201 4393 1 12 . 1 1 35 35 LYS CA C 35 55.606 55.606 55.164 0.442 19201 4394 1 12 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.605 1.780 19201 4395 1 12 . 1 1 35 35 LYS H H 35 8.581 8.581 9.023 -0.442 19201 4396 1 12 . 1 1 36 36 VAL N N 36 122.386 122.386 124.967 -2.581 19201 4397 1 12 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.623 0.308 19201 4398 1 12 . 1 1 36 36 VAL C C 36 176.320 176.320 175.938 0.382 19201 4399 1 12 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.140 0.215 19201 4400 1 12 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.574 1.033 19201 4401 1 12 . 1 1 36 36 VAL H H 36 8.313 8.313 8.372 -0.059 19201 4402 1 12 . 1 1 37 37 CYS N N 37 130.378 130.378 128.816 1.562 19201 4403 1 12 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.269 -0.365 19201 4404 1 12 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.649 0.811 19201 4405 1 12 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.163 2.475 19201 4406 1 12 . 1 1 37 37 CYS H H 37 9.165 9.165 9.109 0.056 19201 4407 1 12 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.446 0.137 19201 4408 1 12 . 1 1 38 38 PRO C C 38 176.933 176.933 177.022 -0.089 19201 4409 1 12 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.687 -1.467 19201 4410 1 12 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.980 0.335 19201 4411 1 12 . 1 1 39 39 MET N N 39 119.180 119.180 115.505 3.675 19201 4412 1 12 . 1 1 39 39 MET HA H 39 4.534 4.534 4.583 -0.049 19201 4413 1 12 . 1 1 39 39 MET C C 39 176.454 176.454 177.158 -0.704 19201 4414 1 12 . 1 1 39 39 MET CA C 39 55.971 55.971 57.057 -1.086 19201 4415 1 12 . 1 1 39 39 MET CB C 39 32.539 32.539 33.976 -1.437 19201 4416 1 12 . 1 1 39 39 MET H H 39 9.054 9.054 8.049 1.005 19201 4417 1 12 . 1 1 40 40 CYS N N 40 118.414 118.414 117.724 0.690 19201 4418 1 12 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.817 0.206 19201 4419 1 12 . 1 1 40 40 CYS C C 40 175.288 175.288 175.593 -0.305 19201 4420 1 12 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.174 0.396 19201 4421 1 12 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.295 3.406 19201 4422 1 12 . 1 1 40 40 CYS H H 40 8.096 8.096 7.978 0.118 19201 4423 1 12 . 1 1 41 41 SER N N 41 113.638 113.638 115.500 -1.862 19201 4424 1 12 . 1 1 41 41 SER HA H 41 4.291 4.291 4.328 -0.037 19201 4425 1 12 . 1 1 41 41 SER C C 41 173.193 173.193 173.043 0.150 19201 4426 1 12 . 1 1 41 41 SER CA C 41 60.401 60.401 59.956 0.445 19201 4427 1 12 . 1 1 41 41 SER CB C 41 62.177 62.177 62.543 -0.366 19201 4428 1 12 . 1 1 41 41 SER H H 41 7.916 7.916 8.436 -0.520 19201 4429 1 12 . 1 1 42 42 GLU N N 42 124.849 124.849 120.786 4.063 19201 4430 1 12 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.296 -0.377 19201 4431 1 12 . 1 1 42 42 GLU C C 42 174.373 174.373 175.172 -0.799 19201 4432 1 12 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.128 3.222 19201 4433 1 12 . 1 1 42 42 GLU CB C 42 29.652 29.652 30.208 -0.556 19201 4434 1 12 . 1 1 42 42 GLU H H 42 8.483 8.483 8.239 0.244 19201 4435 1 12 . 1 1 43 43 GLN N N 43 122.061 122.061 123.391 -1.330 19201 4436 1 12 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.676 0.366 19201 4437 1 12 . 1 1 43 43 GLN C C 43 175.251 175.251 174.999 0.252 19201 4438 1 12 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.931 -0.537 19201 4439 1 12 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.453 0.769 19201 4440 1 12 . 1 1 43 43 GLN H H 43 8.047 8.047 8.587 -0.540 19201 4441 1 12 . 1 1 44 44 PHE N N 44 122.827 122.827 123.522 -0.695 19201 4442 1 12 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.638 0.040 19201 4443 1 12 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.182 -0.188 19201 4444 1 12 . 1 1 44 44 PHE CB C 44 39.908 39.908 40.311 -0.403 19201 4445 1 12 . 1 1 44 44 PHE H H 44 9.312 9.312 8.845 0.467 19201 4446 1 12 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.329 -0.798 19201 4447 1 12 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.877 -0.666 19201 4448 1 12 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.178 -0.289 19201 4449 1 12 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.484 -0.320 19201 4450 1 12 . 1 1 46 46 PRO C C 46 176.621 176.621 176.753 -0.132 19201 4451 1 12 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.514 -1.063 19201 4452 1 12 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.972 -0.082 19201 4453 1 12 . 1 1 47 47 ASP N N 47 113.411 113.411 114.688 -1.277 19201 4454 1 12 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.466 0.010 19201 4455 1 12 . 1 1 47 47 ASP C C 47 175.831 175.831 175.827 0.004 19201 4456 1 12 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.165 -1.282 19201 4457 1 12 . 1 1 47 47 ASP CB C 47 39.551 39.551 39.888 -0.337 19201 4458 1 12 . 1 1 47 47 ASP H H 47 8.028 8.028 8.342 -0.314 19201 4459 1 12 . 1 1 48 48 TYR N N 48 122.527 122.527 122.080 0.447 19201 4460 1 12 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.376 -0.173 19201 4461 1 12 . 1 1 48 48 TYR C C 48 175.189 175.189 174.607 0.582 19201 4462 1 12 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.433 0.376 19201 4463 1 12 . 1 1 48 48 TYR CB C 48 39.307 39.307 38.928 0.379 19201 4464 1 12 . 1 1 48 48 TYR H H 48 7.812 7.812 7.867 -0.055 19201 4465 1 12 . 1 1 49 49 ASP N N 49 125.426 125.426 126.719 -1.293 19201 4466 1 12 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.526 -0.217 19201 4467 1 12 . 1 1 49 49 ASP C C 49 176.996 176.996 177.149 -0.153 19201 4468 1 12 . 1 1 49 49 ASP CA C 49 54.877 54.877 55.051 -0.174 19201 4469 1 12 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.097 -0.792 19201 4470 1 12 . 1 1 49 49 ASP H H 49 8.012 8.012 8.644 -0.632 19201 4471 1 12 . 1 1 50 50 GLN N N 50 126.958 126.958 123.932 3.026 19201 4472 1 12 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.224 -0.235 19201 4473 1 12 . 1 1 50 50 GLN C C 50 177.779 177.779 178.522 -0.743 19201 4474 1 12 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.282 -0.364 19201 4475 1 12 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.836 -0.578 19201 4476 1 12 . 1 1 50 50 GLN H H 50 8.873 8.873 8.733 0.140 19201 4477 1 12 . 1 1 51 51 GLN N N 51 117.767 117.767 119.176 -1.409 19201 4478 1 12 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.096 0.057 19201 4479 1 12 . 1 1 51 51 GLN C C 51 179.003 179.003 178.463 0.540 19201 4480 1 12 . 1 1 51 51 GLN CA C 51 59.130 59.130 59.249 -0.119 19201 4481 1 12 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.606 -0.236 19201 4482 1 12 . 1 1 51 51 GLN H H 51 8.425 8.425 9.066 -0.641 19201 4483 1 12 . 1 1 52 52 VAL N N 52 122.144 122.144 119.509 2.635 19201 4484 1 12 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.725 -0.162 19201 4485 1 12 . 1 1 52 52 VAL C C 52 179.252 179.252 177.915 1.337 19201 4486 1 12 . 1 1 52 52 VAL CA C 52 66.530 66.530 66.140 0.390 19201 4487 1 12 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.428 0.187 19201 4488 1 12 . 1 1 52 52 VAL H H 52 7.864 7.864 7.437 0.427 19201 4489 1 12 . 1 1 53 53 PHE N N 53 122.104 122.104 121.171 0.933 19201 4490 1 12 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.140 -0.364 19201 4491 1 12 . 1 1 53 53 PHE C C 53 176.497 176.497 176.987 -0.490 19201 4492 1 12 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.053 0.464 19201 4493 1 12 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.603 -0.500 19201 4494 1 12 . 1 1 53 53 PHE H H 53 8.291 8.291 8.569 -0.278 19201 4495 1 12 . 1 1 54 54 GLU N N 54 118.755 118.755 119.113 -0.358 19201 4496 1 12 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.953 -0.263 19201 4497 1 12 . 1 1 54 54 GLU C C 54 179.450 179.450 179.395 0.055 19201 4498 1 12 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.503 0.343 19201 4499 1 12 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.021 -0.060 19201 4500 1 12 . 1 1 54 54 GLU H H 54 8.613 8.613 8.845 -0.232 19201 4501 1 12 . 1 1 55 55 ARG N N 55 119.023 119.023 118.528 0.495 19201 4502 1 12 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.159 -0.152 19201 4503 1 12 . 1 1 55 55 ARG C C 55 178.908 178.908 178.951 -0.043 19201 4504 1 12 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.076 1.074 19201 4505 1 12 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.673 0.173 19201 4506 1 12 . 1 1 55 55 ARG H H 55 8.006 8.006 7.991 0.015 19201 4507 1 12 . 1 1 56 56 HIS N N 56 119.517 119.517 120.621 -1.104 19201 4508 1 12 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.389 -0.277 19201 4509 1 12 . 1 1 56 56 HIS C C 56 178.078 178.078 177.360 0.718 19201 4510 1 12 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.453 0.904 19201 4511 1 12 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.465 -2.648 19201 4512 1 12 . 1 1 56 56 HIS H H 56 7.921 7.921 7.511 0.410 19201 4513 1 12 . 1 1 57 57 VAL N N 57 121.280 121.280 119.517 1.763 19201 4514 1 12 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.999 -0.555 19201 4515 1 12 . 1 1 57 57 VAL C C 57 177.845 177.845 178.440 -0.595 19201 4516 1 12 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.917 1.471 19201 4517 1 12 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.428 0.321 19201 4518 1 12 . 1 1 57 57 VAL H H 57 8.131 8.131 7.764 0.367 19201 4519 1 12 . 1 1 58 58 GLN N N 58 115.274 115.274 116.343 -1.069 19201 4520 1 12 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.397 -0.399 19201 4521 1 12 . 1 1 58 58 GLN C C 58 178.690 178.690 177.973 0.717 19201 4522 1 12 . 1 1 58 58 GLN CA C 58 57.951 57.951 57.738 0.213 19201 4523 1 12 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.340 -0.080 19201 4524 1 12 . 1 1 58 58 GLN H H 58 7.745 7.745 7.934 -0.189 19201 4525 1 12 . 1 1 59 59 THR N N 59 112.271 112.271 112.423 -0.152 19201 4526 1 12 . 1 1 59 59 THR HA H 59 4.078 4.078 4.224 -0.146 19201 4527 1 12 . 1 1 59 59 THR C C 59 176.280 176.280 176.404 -0.124 19201 4528 1 12 . 1 1 59 59 THR CA C 59 65.185 65.185 65.649 -0.464 19201 4529 1 12 . 1 1 59 59 THR CB C 59 69.186 69.186 68.758 0.428 19201 4530 1 12 . 1 1 59 59 THR H H 59 7.658 7.658 7.650 0.008 19201 4531 1 12 . 1 1 60 60 HIS N N 60 117.387 117.387 121.018 -3.631 19201 4532 1 12 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.199 0.163 19201 4533 1 12 . 1 1 60 60 HIS C C 60 175.307 175.307 176.433 -1.126 19201 4534 1 12 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.550 -1.495 19201 4535 1 12 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.421 -1.235 19201 4536 1 12 . 1 1 60 60 HIS H H 60 7.226 7.226 7.660 -0.434 19201 4537 1 12 . 1 1 61 61 PHE N N 61 118.105 118.105 114.890 3.215 19201 4538 1 12 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.448 0.199 19201 4539 1 12 . 1 1 61 61 PHE C C 61 175.798 175.798 176.454 -0.656 19201 4540 1 12 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.385 -2.634 19201 4541 1 12 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.173 0.396 19201 4542 1 12 . 1 1 61 61 PHE H H 61 7.601 7.601 7.837 -0.236 19201 4543 1 12 . 1 1 62 62 ASP N N 62 120.979 120.979 119.424 1.555 19201 4544 1 12 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.559 0.018 19201 4545 1 12 . 1 1 62 62 ASP C C 62 176.531 176.531 178.129 -1.598 19201 4546 1 12 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.724 -1.836 19201 4547 1 12 . 1 1 62 62 ASP CB C 62 41.210 41.210 40.995 0.215 19201 4548 1 12 . 1 1 62 62 ASP H H 62 8.021 8.021 7.821 0.200 19201 4549 1 12 . 1 1 63 63 GLN N N 63 120.043 120.043 119.378 0.665 19201 4550 1 12 . 1 1 63 63 GLN HA H 63 4.271 4.271 4.213 0.058 19201 4551 1 12 . 1 1 63 63 GLN C C 63 175.955 175.955 176.914 -0.959 19201 4552 1 12 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.784 -1.637 19201 4553 1 12 . 1 1 63 63 GLN CB C 63 29.184 29.184 27.889 1.295 19201 4554 1 12 . 1 1 63 63 GLN H H 63 8.274 8.274 8.017 0.257 19201 4555 1 12 . 1 1 64 64 ASN N N 64 119.150 119.150 116.027 3.123 19201 4556 1 12 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.729 -0.061 19201 4557 1 12 . 1 1 64 64 ASN C C 64 175.159 175.159 174.524 0.635 19201 4558 1 12 . 1 1 64 64 ASN CA C 64 53.645 53.645 53.595 0.050 19201 4559 1 12 . 1 1 64 64 ASN CB C 64 38.855 38.855 39.408 -0.553 19201 4560 1 12 . 1 1 64 64 ASN H H 64 8.406 8.406 7.491 0.915 19201 4561 1 12 . 1 1 65 65 VAL N N 65 119.684 119.684 117.971 1.713 19201 4562 1 12 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.740 0.299 19201 4563 1 12 . 1 1 65 65 VAL C C 65 175.835 175.835 174.998 0.837 19201 4564 1 12 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.142 -0.619 19201 4565 1 12 . 1 1 65 65 VAL CB C 65 32.584 32.584 29.443 3.141 19201 4566 1 12 . 1 1 65 65 VAL H H 65 7.904 7.904 7.984 -0.080 19201 4567 1 12 . 1 1 66 66 LEU N N 66 124.819 124.819 123.091 1.728 19201 4568 1 12 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.315 -0.048 19201 4569 1 12 . 1 1 66 66 LEU C C 66 176.316 176.316 176.328 -0.012 19201 4570 1 12 . 1 1 66 66 LEU CA C 66 54.899 54.899 55.230 -0.331 19201 4571 1 12 . 1 1 66 66 LEU CB C 66 42.404 42.404 40.228 2.176 19201 4572 1 12 . 1 1 66 66 LEU H H 66 8.115 8.115 8.249 -0.134 19201 4573 1 12 . 1 1 67 67 ASN N N 67 119.012 119.012 123.334 -4.322 19201 4574 1 12 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.866 -0.231 19201 4575 1 12 . 1 1 67 67 ASN C C 67 174.316 174.316 175.007 -0.691 19201 4576 1 12 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.630 -0.666 19201 4577 1 12 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.684 -0.108 19201 4578 1 12 . 1 1 67 67 ASN H H 67 8.057 8.057 8.603 -0.546 19201 4579 1 12 . 1 1 68 68 PHE N N 68 121.187 121.187 118.061 3.126 19201 4580 1 12 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.650 0.004 19201 4581 1 12 . 1 1 68 68 PHE C C 68 174.610 174.610 174.227 0.383 19201 4582 1 12 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.435 -1.038 19201 4583 1 12 . 1 1 68 68 PHE CB C 68 39.724 39.724 40.407 -0.683 19201 4584 1 12 . 1 1 68 68 PHE H H 68 8.208 8.208 8.142 0.066 19201 4585 1 13 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.498 -0.067 19201 4586 1 13 . 1 1 2 2 PRO C C 2 176.542 176.542 176.049 0.493 19201 4587 1 13 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.163 -0.195 19201 4588 1 13 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.100 0.199 19201 4589 1 13 . 1 1 3 3 HIS N N 3 119.528 119.528 119.223 0.305 19201 4590 1 13 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.675 -0.032 19201 4591 1 13 . 1 1 3 3 HIS C C 3 174.598 174.598 174.231 0.367 19201 4592 1 13 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.149 -0.423 19201 4593 1 13 . 1 1 3 3 HIS CB C 3 29.495 29.495 27.608 1.887 19201 4594 1 13 . 1 1 3 3 HIS H H 3 8.651 8.651 8.484 0.167 19201 4595 1 13 . 1 1 4 4 MET N N 4 122.541 122.541 121.166 1.375 19201 4596 1 13 . 1 1 4 4 MET HA H 4 4.474 4.474 4.543 -0.069 19201 4597 1 13 . 1 1 4 4 MET C C 4 175.419 175.419 173.595 1.824 19201 4598 1 13 . 1 1 4 4 MET CA C 4 55.207 55.207 54.714 0.493 19201 4599 1 13 . 1 1 4 4 MET CB C 4 33.158 33.158 35.766 -2.608 19201 4600 1 13 . 1 1 4 4 MET H H 4 8.403 8.403 7.890 0.513 19201 4601 1 13 . 1 1 5 5 ASP N N 5 122.333 122.333 121.914 0.419 19201 4602 1 13 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.624 0.001 19201 4603 1 13 . 1 1 5 5 ASP C C 5 175.734 175.734 175.090 0.644 19201 4604 1 13 . 1 1 5 5 ASP CA C 5 54.259 54.259 54.291 -0.032 19201 4605 1 13 . 1 1 5 5 ASP CB C 5 41.323 41.323 41.962 -0.639 19201 4606 1 13 . 1 1 5 5 ASP H H 5 8.513 8.513 8.480 0.033 19201 4607 1 13 . 1 1 6 6 VAL N N 6 118.762 118.762 123.127 -4.365 19201 4608 1 13 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.259 -0.114 19201 4609 1 13 . 1 1 6 6 VAL C C 6 175.686 175.686 175.429 0.257 19201 4610 1 13 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.007 0.848 19201 4611 1 13 . 1 1 6 6 VAL CB C 6 32.997 32.997 30.436 2.562 19201 4612 1 13 . 1 1 6 6 VAL H H 6 8.011 8.011 8.145 -0.134 19201 4613 1 13 . 1 1 7 7 HIS N N 7 121.430 121.430 119.679 1.751 19201 4614 1 13 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.593 -0.094 19201 4615 1 13 . 1 1 7 7 HIS C C 7 174.456 174.456 174.133 0.323 19201 4616 1 13 . 1 1 7 7 HIS CA C 7 56.097 56.097 56.141 -0.044 19201 4617 1 13 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.126 0.498 19201 4618 1 13 . 1 1 7 7 HIS H H 7 8.323 8.323 7.956 0.367 19201 4619 1 13 . 1 1 8 8 LYS N N 8 122.591 122.591 120.508 2.083 19201 4620 1 13 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.415 -0.094 19201 4621 1 13 . 1 1 8 8 LYS C C 8 174.443 174.443 174.594 -0.151 19201 4622 1 13 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.529 0.367 19201 4623 1 13 . 1 1 8 8 LYS CB C 8 33.984 33.984 32.758 1.226 19201 4624 1 13 . 1 1 8 8 LYS H H 8 8.515 8.515 8.009 0.506 19201 4625 1 13 . 1 1 9 9 LYS N N 9 124.787 124.787 124.233 0.554 19201 4626 1 13 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.454 -0.276 19201 4627 1 13 . 1 1 9 9 LYS C C 9 176.374 176.374 176.159 0.215 19201 4628 1 13 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.459 0.111 19201 4629 1 13 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.898 0.589 19201 4630 1 13 . 1 1 9 9 LYS H H 9 8.383 8.383 8.251 0.132 19201 4631 1 13 . 1 1 10 10 CYS N N 10 129.698 129.698 125.343 4.355 19201 4632 1 13 . 1 1 10 10 CYS HA H 10 4.816 4.816 5.008 -0.192 19201 4633 1 13 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.053 0.907 19201 4634 1 13 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.027 3.704 19201 4635 1 13 . 1 1 10 10 CYS H H 10 8.999 8.999 8.807 0.192 19201 4636 1 13 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.397 0.185 19201 4637 1 13 . 1 1 11 11 PRO C C 11 177.219 177.219 176.377 0.842 19201 4638 1 13 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.295 -1.094 19201 4639 1 13 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.680 0.641 19201 4640 1 13 . 1 1 12 12 LEU N N 12 121.846 121.846 118.152 3.694 19201 4641 1 13 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.419 -0.013 19201 4642 1 13 . 1 1 12 12 LEU C C 12 176.492 176.492 178.176 -1.684 19201 4643 1 13 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.901 -0.757 19201 4644 1 13 . 1 1 12 12 LEU CB C 12 43.242 43.242 40.964 2.278 19201 4645 1 13 . 1 1 12 12 LEU H H 12 9.347 9.347 8.057 1.290 19201 4646 1 13 . 1 1 13 13 CYS N N 13 119.509 119.509 112.175 7.334 19201 4647 1 13 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.683 0.258 19201 4648 1 13 . 1 1 13 13 CYS C C 13 173.792 173.792 174.848 -1.056 19201 4649 1 13 . 1 1 13 13 CYS CA C 13 58.541 58.541 57.908 0.633 19201 4650 1 13 . 1 1 13 13 CYS CB C 13 30.889 30.889 30.388 0.501 19201 4651 1 13 . 1 1 13 13 CYS H H 13 7.879 7.879 7.653 0.226 19201 4652 1 13 . 1 1 14 14 GLU N N 14 114.443 114.443 118.792 -4.349 19201 4653 1 13 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.070 0.094 19201 4654 1 13 . 1 1 14 14 GLU C C 14 175.831 175.831 174.534 1.297 19201 4655 1 13 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.048 0.351 19201 4656 1 13 . 1 1 14 14 GLU CB C 14 28.737 28.737 27.556 1.181 19201 4657 1 13 . 1 1 14 14 GLU H H 14 8.112 8.112 8.371 -0.259 19201 4658 1 13 . 1 1 15 15 LEU N N 15 124.338 124.338 122.859 1.479 19201 4659 1 13 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.642 -0.774 19201 4660 1 13 . 1 1 15 15 LEU C C 15 174.900 174.900 175.219 -0.319 19201 4661 1 13 . 1 1 15 15 LEU CA C 15 57.105 57.105 52.420 4.685 19201 4662 1 13 . 1 1 15 15 LEU CB C 15 43.170 43.170 45.209 -2.039 19201 4663 1 13 . 1 1 15 15 LEU H H 15 8.403 8.403 8.090 0.313 19201 4664 1 13 . 1 1 16 16 MET N N 16 121.138 121.138 125.303 -4.165 19201 4665 1 13 . 1 1 16 16 MET HA H 16 4.964 4.964 4.915 0.049 19201 4666 1 13 . 1 1 16 16 MET C C 16 175.457 175.457 174.840 0.617 19201 4667 1 13 . 1 1 16 16 MET CA C 16 53.699 53.699 55.309 -1.610 19201 4668 1 13 . 1 1 16 16 MET CB C 16 34.779 34.779 33.437 1.342 19201 4669 1 13 . 1 1 16 16 MET H H 16 7.738 7.738 8.366 -0.628 19201 4670 1 13 . 1 1 17 17 PHE N N 17 122.417 122.417 128.079 -5.662 19201 4671 1 13 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.839 -0.305 19201 4672 1 13 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.489 0.081 19201 4673 1 13 . 1 1 17 17 PHE CB C 17 39.801 39.801 40.312 -0.511 19201 4674 1 13 . 1 1 17 17 PHE H H 17 8.868 8.868 8.661 0.207 19201 4675 1 13 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.987 -0.430 19201 4676 1 13 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.487 1.109 19201 4677 1 13 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.944 -0.878 19201 4678 1 13 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.429 -0.208 19201 4679 1 13 . 1 1 19 19 PRO C C 19 176.899 176.899 176.035 0.864 19201 4680 1 13 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.624 0.549 19201 4681 1 13 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.809 1.021 19201 4682 1 13 . 1 1 20 20 ASN N N 20 113.731 113.731 116.636 -2.905 19201 4683 1 13 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.693 -0.132 19201 4684 1 13 . 1 1 20 20 ASN C C 20 174.737 174.737 175.302 -0.565 19201 4685 1 13 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.684 0.200 19201 4686 1 13 . 1 1 20 20 ASN CB C 20 37.271 37.271 38.846 -1.575 19201 4687 1 13 . 1 1 20 20 ASN H H 20 8.330 8.330 8.073 0.257 19201 4688 1 13 . 1 1 21 21 TYR N N 21 121.548 121.548 120.305 1.243 19201 4689 1 13 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.598 -0.394 19201 4690 1 13 . 1 1 21 21 TYR C C 21 174.916 174.916 174.850 0.066 19201 4691 1 13 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.241 1.700 19201 4692 1 13 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.353 0.101 19201 4693 1 13 . 1 1 21 21 TYR H H 21 7.666 7.666 7.908 -0.242 19201 4694 1 13 . 1 1 22 22 ASP N N 22 126.191 126.191 121.646 4.545 19201 4695 1 13 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.626 -0.362 19201 4696 1 13 . 1 1 22 22 ASP C C 22 176.536 176.536 176.556 -0.020 19201 4697 1 13 . 1 1 22 22 ASP CA C 22 54.927 54.927 53.022 1.905 19201 4698 1 13 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.236 -0.909 19201 4699 1 13 . 1 1 22 22 ASP H H 22 7.832 7.832 8.441 -0.609 19201 4700 1 13 . 1 1 23 23 GLN N N 23 127.794 127.794 123.844 3.950 19201 4701 1 13 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.131 -0.141 19201 4702 1 13 . 1 1 23 23 GLN C C 23 178.011 178.011 178.274 -0.263 19201 4703 1 13 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.256 -0.301 19201 4704 1 13 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.691 -0.709 19201 4705 1 13 . 1 1 23 23 GLN H H 23 8.891 8.891 8.865 0.026 19201 4706 1 13 . 1 1 24 24 SER N N 24 115.542 115.542 114.624 0.918 19201 4707 1 13 . 1 1 24 24 SER HA H 24 4.298 4.298 4.609 -0.311 19201 4708 1 13 . 1 1 24 24 SER C C 24 177.419 177.419 176.325 1.094 19201 4709 1 13 . 1 1 24 24 SER CA C 24 61.975 61.975 61.578 0.397 19201 4710 1 13 . 1 1 24 24 SER CB C 24 61.975 61.975 62.997 -1.022 19201 4711 1 13 . 1 1 24 24 SER H H 24 8.479 8.479 8.697 -0.218 19201 4712 1 13 . 1 1 25 25 LYS N N 25 123.099 123.099 122.864 0.235 19201 4713 1 13 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.366 -0.187 19201 4714 1 13 . 1 1 25 25 LYS C C 25 180.064 180.064 178.911 1.153 19201 4715 1 13 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.760 -0.454 19201 4716 1 13 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.267 -0.596 19201 4717 1 13 . 1 1 25 25 LYS H H 25 7.734 7.734 7.592 0.142 19201 4718 1 13 . 1 1 26 26 PHE N N 26 123.746 123.746 121.260 2.486 19201 4719 1 13 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.843 0.007 19201 4720 1 13 . 1 1 26 26 PHE C C 26 176.469 176.469 176.550 -0.081 19201 4721 1 13 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.102 0.657 19201 4722 1 13 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.681 0.482 19201 4723 1 13 . 1 1 26 26 PHE H H 26 8.414 8.414 8.306 0.108 19201 4724 1 13 . 1 1 27 27 GLU N N 27 118.957 118.957 118.860 0.097 19201 4725 1 13 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.577 0.164 19201 4726 1 13 . 1 1 27 27 GLU C C 27 178.777 178.777 178.856 -0.079 19201 4727 1 13 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.898 -0.281 19201 4728 1 13 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.069 -0.387 19201 4729 1 13 . 1 1 27 27 GLU H H 27 8.497 8.497 7.859 0.638 19201 4730 1 13 . 1 1 28 28 GLU N N 28 118.812 118.812 118.278 0.534 19201 4731 1 13 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.885 0.036 19201 4732 1 13 . 1 1 28 28 GLU C C 28 179.241 179.241 178.637 0.604 19201 4733 1 13 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.481 -0.236 19201 4734 1 13 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.297 0.462 19201 4735 1 13 . 1 1 28 28 GLU H H 28 7.967 7.967 8.192 -0.225 19201 4736 1 13 . 1 1 29 29 HIS N N 29 118.117 118.117 119.679 -1.562 19201 4737 1 13 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.392 -0.249 19201 4738 1 13 . 1 1 29 29 HIS C C 29 178.484 178.484 177.488 0.996 19201 4739 1 13 . 1 1 29 29 HIS CA C 29 60.355 60.355 59.008 1.347 19201 4740 1 13 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.098 -3.037 19201 4741 1 13 . 1 1 29 29 HIS H H 29 7.791 7.791 7.281 0.510 19201 4742 1 13 . 1 1 30 30 VAL N N 30 122.416 122.416 120.300 2.116 19201 4743 1 13 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.435 -0.027 19201 4744 1 13 . 1 1 30 30 VAL C C 30 178.303 178.303 177.607 0.696 19201 4745 1 13 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.219 1.656 19201 4746 1 13 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.398 0.369 19201 4747 1 13 . 1 1 30 30 VAL H H 30 8.202 8.202 7.972 0.230 19201 4748 1 13 . 1 1 31 31 GLU N N 31 115.746 115.746 115.125 0.621 19201 4749 1 13 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.202 0.523 19201 4750 1 13 . 1 1 31 31 GLU C C 31 178.071 178.071 176.981 1.090 19201 4751 1 13 . 1 1 31 31 GLU CA C 31 58.027 58.027 57.319 0.708 19201 4752 1 13 . 1 1 31 31 GLU CB C 31 28.771 28.771 29.116 -0.344 19201 4753 1 13 . 1 1 31 31 GLU H H 31 7.969 7.969 8.195 -0.226 19201 4754 1 13 . 1 1 32 32 SER N N 32 115.845 115.845 112.630 3.215 19201 4755 1 13 . 1 1 32 32 SER HA H 32 4.223 4.223 4.217 0.006 19201 4756 1 13 . 1 1 32 32 SER C C 32 174.855 174.855 174.887 -0.032 19201 4757 1 13 . 1 1 32 32 SER CA C 32 60.645 60.645 60.099 0.546 19201 4758 1 13 . 1 1 32 32 SER CB C 32 62.815 62.815 63.359 -0.544 19201 4759 1 13 . 1 1 32 32 SER H H 32 7.584 7.584 7.355 0.229 19201 4760 1 13 . 1 1 33 33 HIS N N 33 118.635 118.635 117.449 1.186 19201 4761 1 13 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.526 -0.077 19201 4762 1 13 . 1 1 33 33 HIS C C 33 175.524 175.524 175.789 -0.265 19201 4763 1 13 . 1 1 33 33 HIS CA C 33 57.026 57.026 57.739 -0.713 19201 4764 1 13 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.574 -1.271 19201 4765 1 13 . 1 1 33 33 HIS H H 33 7.286 7.286 7.458 -0.172 19201 4766 1 13 . 1 1 34 34 TRP N N 34 121.219 121.219 120.135 1.084 19201 4767 1 13 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.786 -0.450 19201 4768 1 13 . 1 1 34 34 TRP C C 34 175.644 175.644 176.902 -1.258 19201 4769 1 13 . 1 1 34 34 TRP CA C 34 58.324 58.324 56.122 2.202 19201 4770 1 13 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.698 0.564 19201 4771 1 13 . 1 1 34 34 TRP H H 34 7.949 7.949 7.637 0.312 19201 4772 1 13 . 1 1 35 35 LYS N N 35 122.872 122.872 124.378 -1.506 19201 4773 1 13 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.179 0.161 19201 4774 1 13 . 1 1 35 35 LYS C C 35 175.286 175.286 175.626 -0.340 19201 4775 1 13 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.928 0.678 19201 4776 1 13 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.530 1.855 19201 4777 1 13 . 1 1 35 35 LYS H H 35 8.581 8.581 8.670 -0.089 19201 4778 1 13 . 1 1 36 36 VAL N N 36 122.386 122.386 125.415 -3.029 19201 4779 1 13 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.552 0.379 19201 4780 1 13 . 1 1 36 36 VAL C C 36 176.320 176.320 176.221 0.099 19201 4781 1 13 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.051 0.304 19201 4782 1 13 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.069 1.538 19201 4783 1 13 . 1 1 36 36 VAL H H 36 8.313 8.313 8.331 -0.018 19201 4784 1 13 . 1 1 37 37 CYS N N 37 130.378 130.378 129.157 1.221 19201 4785 1 13 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.159 -0.255 19201 4786 1 13 . 1 1 37 37 CYS CA C 37 57.460 57.460 57.012 0.448 19201 4787 1 13 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.312 2.326 19201 4788 1 13 . 1 1 37 37 CYS H H 37 9.165 9.165 9.301 -0.136 19201 4789 1 13 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.422 0.161 19201 4790 1 13 . 1 1 38 38 PRO C C 38 176.933 176.933 176.931 0.002 19201 4791 1 13 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.507 -1.287 19201 4792 1 13 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.889 0.426 19201 4793 1 13 . 1 1 39 39 MET N N 39 119.180 119.180 115.140 4.040 19201 4794 1 13 . 1 1 39 39 MET HA H 39 4.534 4.534 4.633 -0.099 19201 4795 1 13 . 1 1 39 39 MET C C 39 176.454 176.454 176.924 -0.470 19201 4796 1 13 . 1 1 39 39 MET CA C 39 55.971 55.971 56.392 -0.422 19201 4797 1 13 . 1 1 39 39 MET CB C 39 32.539 32.539 33.861 -1.322 19201 4798 1 13 . 1 1 39 39 MET H H 39 9.054 9.054 7.724 1.330 19201 4799 1 13 . 1 1 40 40 CYS N N 40 118.414 118.414 118.226 0.188 19201 4800 1 13 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.699 0.324 19201 4801 1 13 . 1 1 40 40 CYS C C 40 175.288 175.288 175.330 -0.042 19201 4802 1 13 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.295 0.275 19201 4803 1 13 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.470 3.231 19201 4804 1 13 . 1 1 40 40 CYS H H 40 8.096 8.096 7.901 0.195 19201 4805 1 13 . 1 1 41 41 SER N N 41 113.638 113.638 113.022 0.616 19201 4806 1 13 . 1 1 41 41 SER HA H 41 4.291 4.291 4.306 -0.015 19201 4807 1 13 . 1 1 41 41 SER C C 41 173.193 173.193 173.288 -0.095 19201 4808 1 13 . 1 1 41 41 SER CA C 41 60.401 60.401 59.666 0.735 19201 4809 1 13 . 1 1 41 41 SER CB C 41 62.177 62.177 61.586 0.591 19201 4810 1 13 . 1 1 41 41 SER H H 41 7.916 7.916 8.507 -0.591 19201 4811 1 13 . 1 1 42 42 GLU N N 42 124.849 124.849 120.853 3.996 19201 4812 1 13 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.371 -0.452 19201 4813 1 13 . 1 1 42 42 GLU C C 42 174.373 174.373 175.206 -0.833 19201 4814 1 13 . 1 1 42 42 GLU CA C 42 58.350 58.350 54.778 3.572 19201 4815 1 13 . 1 1 42 42 GLU CB C 42 29.652 29.652 30.304 -0.652 19201 4816 1 13 . 1 1 42 42 GLU H H 42 8.483 8.483 8.204 0.279 19201 4817 1 13 . 1 1 43 43 GLN N N 43 122.061 122.061 124.693 -2.632 19201 4818 1 13 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.700 0.342 19201 4819 1 13 . 1 1 43 43 GLN C C 43 175.251 175.251 175.203 0.048 19201 4820 1 13 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.587 -1.193 19201 4821 1 13 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.152 1.070 19201 4822 1 13 . 1 1 43 43 GLN H H 43 8.047 8.047 8.639 -0.592 19201 4823 1 13 . 1 1 44 44 PHE N N 44 122.827 122.827 123.659 -0.832 19201 4824 1 13 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.667 0.011 19201 4825 1 13 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.627 -0.633 19201 4826 1 13 . 1 1 44 44 PHE CB C 44 39.908 39.908 40.586 -0.678 19201 4827 1 13 . 1 1 44 44 PHE H H 44 9.312 9.312 9.110 0.202 19201 4828 1 13 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.323 -0.792 19201 4829 1 13 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.662 -0.451 19201 4830 1 13 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.200 -0.311 19201 4831 1 13 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.589 -0.425 19201 4832 1 13 . 1 1 46 46 PRO C C 46 176.621 176.621 176.773 -0.152 19201 4833 1 13 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.079 -0.628 19201 4834 1 13 . 1 1 46 46 PRO CB C 46 31.890 31.890 32.199 -0.309 19201 4835 1 13 . 1 1 47 47 ASP N N 47 113.411 113.411 115.892 -2.481 19201 4836 1 13 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.533 -0.057 19201 4837 1 13 . 1 1 47 47 ASP C C 47 175.831 175.831 175.518 0.313 19201 4838 1 13 . 1 1 47 47 ASP CA C 47 52.883 52.883 53.855 -0.972 19201 4839 1 13 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.750 -1.199 19201 4840 1 13 . 1 1 47 47 ASP H H 47 8.028 8.028 8.158 -0.130 19201 4841 1 13 . 1 1 48 48 TYR N N 48 122.527 122.527 120.856 1.671 19201 4842 1 13 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.365 -0.162 19201 4843 1 13 . 1 1 48 48 TYR C C 48 175.189 175.189 175.184 0.005 19201 4844 1 13 . 1 1 48 48 TYR CA C 48 58.809 58.809 59.031 -0.222 19201 4845 1 13 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.173 0.134 19201 4846 1 13 . 1 1 48 48 TYR H H 48 7.812 7.812 7.523 0.289 19201 4847 1 13 . 1 1 49 49 ASP N N 49 125.426 125.426 126.620 -1.194 19201 4848 1 13 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.515 -0.206 19201 4849 1 13 . 1 1 49 49 ASP C C 49 176.996 176.996 177.332 -0.336 19201 4850 1 13 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.565 0.312 19201 4851 1 13 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.438 -0.133 19201 4852 1 13 . 1 1 49 49 ASP H H 49 8.012 8.012 8.230 -0.218 19201 4853 1 13 . 1 1 50 50 GLN N N 50 126.958 126.958 124.496 2.462 19201 4854 1 13 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.018 -0.029 19201 4855 1 13 . 1 1 50 50 GLN C C 50 177.779 177.779 178.514 -0.735 19201 4856 1 13 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.786 -0.868 19201 4857 1 13 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.619 -0.361 19201 4858 1 13 . 1 1 50 50 GLN H H 50 8.873 8.873 8.890 -0.017 19201 4859 1 13 . 1 1 51 51 GLN N N 51 117.767 117.767 118.969 -1.202 19201 4860 1 13 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.092 0.061 19201 4861 1 13 . 1 1 51 51 GLN C C 51 179.003 179.003 178.268 0.735 19201 4862 1 13 . 1 1 51 51 GLN CA C 51 59.130 59.130 59.329 -0.199 19201 4863 1 13 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.600 -0.230 19201 4864 1 13 . 1 1 51 51 GLN H H 51 8.425 8.425 8.839 -0.414 19201 4865 1 13 . 1 1 52 52 VAL N N 52 122.144 122.144 119.253 2.891 19201 4866 1 13 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.783 -0.220 19201 4867 1 13 . 1 1 52 52 VAL C C 52 179.252 179.252 178.289 0.963 19201 4868 1 13 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.533 0.997 19201 4869 1 13 . 1 1 52 52 VAL CB C 52 31.615 31.615 30.833 0.782 19201 4870 1 13 . 1 1 52 52 VAL H H 52 7.864 7.864 7.463 0.401 19201 4871 1 13 . 1 1 53 53 PHE N N 53 122.104 122.104 122.287 -0.183 19201 4872 1 13 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.057 -0.281 19201 4873 1 13 . 1 1 53 53 PHE C C 53 176.497 176.497 177.015 -0.518 19201 4874 1 13 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.816 -0.299 19201 4875 1 13 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.219 -0.116 19201 4876 1 13 . 1 1 53 53 PHE H H 53 8.291 8.291 8.884 -0.593 19201 4877 1 13 . 1 1 54 54 GLU N N 54 118.755 118.755 119.361 -0.606 19201 4878 1 13 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.914 -0.224 19201 4879 1 13 . 1 1 54 54 GLU C C 54 179.450 179.450 179.371 0.079 19201 4880 1 13 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.611 0.235 19201 4881 1 13 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.081 -0.120 19201 4882 1 13 . 1 1 54 54 GLU H H 54 8.613 8.613 8.648 -0.035 19201 4883 1 13 . 1 1 55 55 ARG N N 55 119.023 119.023 118.522 0.501 19201 4884 1 13 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.105 -0.098 19201 4885 1 13 . 1 1 55 55 ARG C C 55 178.908 178.908 178.866 0.042 19201 4886 1 13 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.181 0.969 19201 4887 1 13 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.698 0.148 19201 4888 1 13 . 1 1 55 55 ARG H H 55 8.006 8.006 8.540 -0.534 19201 4889 1 13 . 1 1 56 56 HIS N N 56 119.517 119.517 119.562 -0.045 19201 4890 1 13 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.402 -0.290 19201 4891 1 13 . 1 1 56 56 HIS C C 56 178.078 178.078 177.785 0.293 19201 4892 1 13 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.328 1.029 19201 4893 1 13 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.357 -2.540 19201 4894 1 13 . 1 1 56 56 HIS H H 56 7.921 7.921 7.866 0.055 19201 4895 1 13 . 1 1 57 57 VAL N N 57 121.280 121.280 120.794 0.486 19201 4896 1 13 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.726 -0.282 19201 4897 1 13 . 1 1 57 57 VAL C C 57 177.845 177.845 178.188 -0.343 19201 4898 1 13 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.688 1.700 19201 4899 1 13 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.096 0.653 19201 4900 1 13 . 1 1 57 57 VAL H H 57 8.131 8.131 7.857 0.274 19201 4901 1 13 . 1 1 58 58 GLN N N 58 115.274 115.274 117.415 -2.141 19201 4902 1 13 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.370 -0.372 19201 4903 1 13 . 1 1 58 58 GLN C C 58 178.690 178.690 178.253 0.437 19201 4904 1 13 . 1 1 58 58 GLN CA C 58 57.951 57.951 57.790 0.161 19201 4905 1 13 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.044 0.216 19201 4906 1 13 . 1 1 58 58 GLN H H 58 7.745 7.745 7.950 -0.205 19201 4907 1 13 . 1 1 59 59 THR N N 59 112.271 112.271 112.142 0.129 19201 4908 1 13 . 1 1 59 59 THR HA H 59 4.078 4.078 4.254 -0.176 19201 4909 1 13 . 1 1 59 59 THR C C 59 176.280 176.280 176.484 -0.204 19201 4910 1 13 . 1 1 59 59 THR CA C 59 65.185 65.185 65.637 -0.452 19201 4911 1 13 . 1 1 59 59 THR CB C 59 69.186 69.186 68.759 0.427 19201 4912 1 13 . 1 1 59 59 THR H H 59 7.658 7.658 8.306 -0.648 19201 4913 1 13 . 1 1 60 60 HIS N N 60 117.387 117.387 119.867 -2.480 19201 4914 1 13 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.510 -0.148 19201 4915 1 13 . 1 1 60 60 HIS C C 60 175.307 175.307 176.178 -0.871 19201 4916 1 13 . 1 1 60 60 HIS CA C 60 57.055 57.055 57.817 -0.762 19201 4917 1 13 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.745 -1.559 19201 4918 1 13 . 1 1 60 60 HIS H H 60 7.226 7.226 7.787 -0.561 19201 4919 1 13 . 1 1 61 61 PHE N N 61 118.105 118.105 118.316 -0.211 19201 4920 1 13 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.400 0.247 19201 4921 1 13 . 1 1 61 61 PHE C C 61 175.798 175.798 177.206 -1.408 19201 4922 1 13 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.855 -3.104 19201 4923 1 13 . 1 1 61 61 PHE CB C 61 39.569 39.569 38.895 0.674 19201 4924 1 13 . 1 1 61 61 PHE H H 61 7.601 7.601 7.976 -0.375 19201 4925 1 13 . 1 1 62 62 ASP N N 62 120.979 120.979 119.909 1.070 19201 4926 1 13 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.419 0.158 19201 4927 1 13 . 1 1 62 62 ASP C C 62 176.531 176.531 176.933 -0.402 19201 4928 1 13 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.320 -1.432 19201 4929 1 13 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.600 -0.390 19201 4930 1 13 . 1 1 62 62 ASP H H 62 8.021 8.021 8.128 -0.107 19201 4931 1 13 . 1 1 63 63 GLN N N 63 120.043 120.043 114.727 5.316 19201 4932 1 13 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.938 0.333 19201 4933 1 13 . 1 1 63 63 GLN C C 63 175.955 175.955 176.338 -0.383 19201 4934 1 13 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.341 -1.194 19201 4935 1 13 . 1 1 63 63 GLN CB C 63 29.184 29.184 27.826 1.359 19201 4936 1 13 . 1 1 63 63 GLN H H 63 8.274 8.274 8.358 -0.084 19201 4937 1 13 . 1 1 64 64 ASN N N 64 119.150 119.150 118.131 1.019 19201 4938 1 13 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.638 0.030 19201 4939 1 13 . 1 1 64 64 ASN C C 64 175.159 175.159 176.163 -1.004 19201 4940 1 13 . 1 1 64 64 ASN CA C 64 53.645 53.645 55.162 -1.517 19201 4941 1 13 . 1 1 64 64 ASN CB C 64 38.855 38.855 39.059 -0.203 19201 4942 1 13 . 1 1 64 64 ASN H H 64 8.406 8.406 8.630 -0.224 19201 4943 1 13 . 1 1 65 65 VAL N N 65 119.684 119.684 119.804 -0.120 19201 4944 1 13 . 1 1 65 65 VAL HA H 65 4.039 4.039 4.062 -0.023 19201 4945 1 13 . 1 1 65 65 VAL C C 65 175.835 175.835 173.843 1.992 19201 4946 1 13 . 1 1 65 65 VAL CA C 65 62.523 62.523 60.749 1.774 19201 4947 1 13 . 1 1 65 65 VAL CB C 65 32.584 32.584 31.810 0.774 19201 4948 1 13 . 1 1 65 65 VAL H H 65 7.904 7.904 7.609 0.295 19201 4949 1 13 . 1 1 66 66 LEU N N 66 124.819 124.819 123.098 1.721 19201 4950 1 13 . 1 1 66 66 LEU HA H 66 4.267 4.267 3.726 0.541 19201 4951 1 13 . 1 1 66 66 LEU C C 66 176.316 176.316 175.729 0.587 19201 4952 1 13 . 1 1 66 66 LEU CA C 66 54.899 54.899 55.638 -0.739 19201 4953 1 13 . 1 1 66 66 LEU CB C 66 42.404 42.404 39.313 3.091 19201 4954 1 13 . 1 1 66 66 LEU H H 66 8.115 8.115 7.104 1.011 19201 4955 1 13 . 1 1 67 67 ASN N N 67 119.012 119.012 122.880 -3.868 19201 4956 1 13 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.626 0.009 19201 4957 1 13 . 1 1 67 67 ASN C C 67 174.316 174.316 174.952 -0.636 19201 4958 1 13 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.651 -0.688 19201 4959 1 13 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.902 -0.326 19201 4960 1 13 . 1 1 67 67 ASN H H 67 8.057 8.057 7.687 0.370 19201 4961 1 13 . 1 1 68 68 PHE N N 68 121.187 121.187 119.978 1.209 19201 4962 1 13 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.225 0.429 19201 4963 1 13 . 1 1 68 68 PHE C C 68 174.610 174.610 175.451 -0.841 19201 4964 1 13 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.778 -1.381 19201 4965 1 13 . 1 1 68 68 PHE CB C 68 39.724 39.724 36.973 2.751 19201 4966 1 13 . 1 1 68 68 PHE H H 68 8.208 8.208 7.698 0.510 19201 4967 1 14 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.282 0.149 19201 4968 1 14 . 1 1 2 2 PRO C C 2 176.542 176.542 176.652 -0.110 19201 4969 1 14 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.299 -0.331 19201 4970 1 14 . 1 1 2 2 PRO CB C 2 32.299 32.299 31.852 0.447 19201 4971 1 14 . 1 1 3 3 HIS N N 3 119.528 119.528 119.111 0.417 19201 4972 1 14 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.167 0.476 19201 4973 1 14 . 1 1 3 3 HIS C C 3 174.598 174.598 174.594 0.004 19201 4974 1 14 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.591 -0.865 19201 4975 1 14 . 1 1 3 3 HIS CB C 3 29.495 29.495 27.747 1.748 19201 4976 1 14 . 1 1 3 3 HIS H H 3 8.651 8.651 8.373 0.278 19201 4977 1 14 . 1 1 4 4 MET N N 4 122.541 122.541 118.148 4.393 19201 4978 1 14 . 1 1 4 4 MET HA H 4 4.474 4.474 4.469 0.005 19201 4979 1 14 . 1 1 4 4 MET C C 4 175.419 175.419 175.845 -0.426 19201 4980 1 14 . 1 1 4 4 MET CA C 4 55.207 55.207 55.562 -0.354 19201 4981 1 14 . 1 1 4 4 MET CB C 4 33.158 33.158 33.178 -0.020 19201 4982 1 14 . 1 1 4 4 MET H H 4 8.403 8.403 8.036 0.367 19201 4983 1 14 . 1 1 5 5 ASP N N 5 122.333 122.333 121.278 1.055 19201 4984 1 14 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.648 -0.023 19201 4985 1 14 . 1 1 5 5 ASP C C 5 175.734 175.734 174.331 1.403 19201 4986 1 14 . 1 1 5 5 ASP CA C 5 54.259 54.259 55.222 -0.963 19201 4987 1 14 . 1 1 5 5 ASP CB C 5 41.323 41.323 39.023 2.300 19201 4988 1 14 . 1 1 5 5 ASP H H 5 8.513 8.513 8.108 0.405 19201 4989 1 14 . 1 1 6 6 VAL N N 6 118.762 118.762 117.611 1.151 19201 4990 1 14 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.544 -0.399 19201 4991 1 14 . 1 1 6 6 VAL C C 6 175.686 175.686 175.090 0.596 19201 4992 1 14 . 1 1 6 6 VAL CA C 6 61.855 61.855 60.923 0.932 19201 4993 1 14 . 1 1 6 6 VAL CB C 6 32.997 32.997 32.594 0.403 19201 4994 1 14 . 1 1 6 6 VAL H H 6 8.011 8.011 7.863 0.148 19201 4995 1 14 . 1 1 7 7 HIS N N 7 121.430 121.430 118.696 2.734 19201 4996 1 14 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.674 -0.175 19201 4997 1 14 . 1 1 7 7 HIS C C 7 174.456 174.456 174.488 -0.032 19201 4998 1 14 . 1 1 7 7 HIS CA C 7 56.097 56.097 55.504 0.593 19201 4999 1 14 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.082 0.542 19201 5000 1 14 . 1 1 7 7 HIS H H 7 8.323 8.323 7.941 0.382 19201 5001 1 14 . 1 1 8 8 LYS N N 8 122.591 122.591 122.540 0.051 19201 5002 1 14 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.330 -0.009 19201 5003 1 14 . 1 1 8 8 LYS C C 8 174.443 174.443 175.062 -0.619 19201 5004 1 14 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.385 0.511 19201 5005 1 14 . 1 1 8 8 LYS CB C 8 33.984 33.984 31.672 2.312 19201 5006 1 14 . 1 1 8 8 LYS H H 8 8.515 8.515 8.133 0.382 19201 5007 1 14 . 1 1 9 9 LYS N N 9 124.787 124.787 123.041 1.746 19201 5008 1 14 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.577 -0.399 19201 5009 1 14 . 1 1 9 9 LYS C C 9 176.374 176.374 176.530 -0.156 19201 5010 1 14 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.394 0.176 19201 5011 1 14 . 1 1 9 9 LYS CB C 9 35.487 35.487 35.031 0.456 19201 5012 1 14 . 1 1 9 9 LYS H H 9 8.383 8.383 8.112 0.271 19201 5013 1 14 . 1 1 10 10 CYS N N 10 129.698 129.698 125.238 4.460 19201 5014 1 14 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.494 0.322 19201 5015 1 14 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.580 0.380 19201 5016 1 14 . 1 1 10 10 CYS CB C 10 30.731 30.731 26.401 4.330 19201 5017 1 14 . 1 1 10 10 CYS H H 10 8.999 8.999 8.976 0.023 19201 5018 1 14 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.375 0.207 19201 5019 1 14 . 1 1 11 11 PRO C C 11 177.219 177.219 176.296 0.923 19201 5020 1 14 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.004 -0.803 19201 5021 1 14 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.632 0.689 19201 5022 1 14 . 1 1 12 12 LEU N N 12 121.846 121.846 114.457 7.389 19201 5023 1 14 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.590 -0.184 19201 5024 1 14 . 1 1 12 12 LEU C C 12 176.492 176.492 177.165 -0.673 19201 5025 1 14 . 1 1 12 12 LEU CA C 12 55.144 55.144 54.886 0.258 19201 5026 1 14 . 1 1 12 12 LEU CB C 12 43.242 43.242 42.275 0.967 19201 5027 1 14 . 1 1 12 12 LEU H H 12 9.347 9.347 7.452 1.895 19201 5028 1 14 . 1 1 13 13 CYS N N 13 119.509 119.509 116.380 3.129 19201 5029 1 14 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.571 0.370 19201 5030 1 14 . 1 1 13 13 CYS C C 13 173.792 173.792 174.637 -0.845 19201 5031 1 14 . 1 1 13 13 CYS CA C 13 58.541 58.541 59.743 -1.202 19201 5032 1 14 . 1 1 13 13 CYS CB C 13 30.889 30.889 30.140 0.749 19201 5033 1 14 . 1 1 13 13 CYS H H 13 7.879 7.879 8.183 -0.304 19201 5034 1 14 . 1 1 14 14 GLU N N 14 114.443 114.443 115.669 -1.226 19201 5035 1 14 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.030 0.134 19201 5036 1 14 . 1 1 14 14 GLU C C 14 175.831 175.831 175.268 0.563 19201 5037 1 14 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.559 -0.160 19201 5038 1 14 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.792 1.945 19201 5039 1 14 . 1 1 14 14 GLU H H 14 8.112 8.112 8.836 -0.724 19201 5040 1 14 . 1 1 15 15 LEU N N 15 124.338 124.338 120.680 3.658 19201 5041 1 14 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.407 -0.539 19201 5042 1 14 . 1 1 15 15 LEU C C 15 174.900 174.900 175.969 -1.069 19201 5043 1 14 . 1 1 15 15 LEU CA C 15 57.105 57.105 54.916 2.189 19201 5044 1 14 . 1 1 15 15 LEU CB C 15 43.170 43.170 43.198 -0.028 19201 5045 1 14 . 1 1 15 15 LEU H H 15 8.403 8.403 7.596 0.807 19201 5046 1 14 . 1 1 16 16 MET N N 16 121.138 121.138 125.242 -4.104 19201 5047 1 14 . 1 1 16 16 MET HA H 16 4.964 4.964 4.772 0.192 19201 5048 1 14 . 1 1 16 16 MET C C 16 175.457 175.457 175.225 0.232 19201 5049 1 14 . 1 1 16 16 MET CA C 16 53.699 53.699 55.593 -1.894 19201 5050 1 14 . 1 1 16 16 MET CB C 16 34.779 34.779 33.836 0.943 19201 5051 1 14 . 1 1 16 16 MET H H 16 7.738 7.738 8.253 -0.515 19201 5052 1 14 . 1 1 17 17 PHE N N 17 122.417 122.417 126.029 -3.612 19201 5053 1 14 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.102 -0.568 19201 5054 1 14 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.451 0.119 19201 5055 1 14 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.942 -0.141 19201 5056 1 14 . 1 1 17 17 PHE H H 17 8.868 8.868 9.255 -0.387 19201 5057 1 14 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.981 -0.424 19201 5058 1 14 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.906 0.690 19201 5059 1 14 . 1 1 18 18 PRO CB C 18 31.065 31.065 32.268 -1.203 19201 5060 1 14 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.538 -0.317 19201 5061 1 14 . 1 1 19 19 PRO C C 19 176.899 176.899 175.991 0.908 19201 5062 1 14 . 1 1 19 19 PRO CA C 19 64.173 64.173 64.145 0.028 19201 5063 1 14 . 1 1 19 19 PRO CB C 19 31.830 31.830 31.769 0.061 19201 5064 1 14 . 1 1 20 20 ASN N N 20 113.731 113.731 115.884 -2.153 19201 5065 1 14 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.683 -0.122 19201 5066 1 14 . 1 1 20 20 ASN C C 20 174.737 174.737 175.109 -0.372 19201 5067 1 14 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.554 0.330 19201 5068 1 14 . 1 1 20 20 ASN CB C 20 37.271 37.271 38.547 -1.276 19201 5069 1 14 . 1 1 20 20 ASN H H 20 8.330 8.330 7.995 0.335 19201 5070 1 14 . 1 1 21 21 TYR N N 21 121.548 121.548 120.821 0.727 19201 5071 1 14 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.659 -0.455 19201 5072 1 14 . 1 1 21 21 TYR C C 21 174.916 174.916 174.838 0.078 19201 5073 1 14 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.190 1.751 19201 5074 1 14 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.256 0.198 19201 5075 1 14 . 1 1 21 21 TYR H H 21 7.666 7.666 7.674 -0.008 19201 5076 1 14 . 1 1 22 22 ASP N N 22 126.191 126.191 121.262 4.929 19201 5077 1 14 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.663 -0.399 19201 5078 1 14 . 1 1 22 22 ASP C C 22 176.536 176.536 176.942 -0.406 19201 5079 1 14 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.652 2.275 19201 5080 1 14 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.631 -1.304 19201 5081 1 14 . 1 1 22 22 ASP H H 22 7.832 7.832 8.436 -0.604 19201 5082 1 14 . 1 1 23 23 GLN N N 23 127.794 127.794 123.668 4.126 19201 5083 1 14 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.270 -0.280 19201 5084 1 14 . 1 1 23 23 GLN C C 23 178.011 178.011 177.749 0.262 19201 5085 1 14 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.548 -0.593 19201 5086 1 14 . 1 1 23 23 GLN CB C 23 27.982 27.982 29.020 -1.038 19201 5087 1 14 . 1 1 23 23 GLN H H 23 8.891 8.891 8.873 0.018 19201 5088 1 14 . 1 1 24 24 SER N N 24 115.542 115.542 113.641 1.901 19201 5089 1 14 . 1 1 24 24 SER HA H 24 4.298 4.298 4.377 -0.079 19201 5090 1 14 . 1 1 24 24 SER C C 24 177.419 177.419 176.372 1.047 19201 5091 1 14 . 1 1 24 24 SER CA C 24 61.975 61.975 61.618 0.357 19201 5092 1 14 . 1 1 24 24 SER CB C 24 61.975 61.975 62.936 -0.961 19201 5093 1 14 . 1 1 24 24 SER H H 24 8.479 8.479 8.469 0.010 19201 5094 1 14 . 1 1 25 25 LYS N N 25 123.099 123.099 121.377 1.722 19201 5095 1 14 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.510 -0.331 19201 5096 1 14 . 1 1 25 25 LYS C C 25 180.064 180.064 178.390 1.674 19201 5097 1 14 . 1 1 25 25 LYS CA C 25 58.305 58.305 57.593 0.712 19201 5098 1 14 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.951 -0.280 19201 5099 1 14 . 1 1 25 25 LYS H H 25 7.734 7.734 7.630 0.104 19201 5100 1 14 . 1 1 26 26 PHE N N 26 123.746 123.746 121.878 1.868 19201 5101 1 14 . 1 1 26 26 PHE HA H 26 3.850 3.850 4.377 -0.527 19201 5102 1 14 . 1 1 26 26 PHE C C 26 176.469 176.469 176.629 -0.160 19201 5103 1 14 . 1 1 26 26 PHE CA C 26 61.759 61.759 60.365 1.393 19201 5104 1 14 . 1 1 26 26 PHE CB C 26 39.163 39.163 39.500 -0.337 19201 5105 1 14 . 1 1 26 26 PHE H H 26 8.414 8.414 8.119 0.295 19201 5106 1 14 . 1 1 27 27 GLU N N 27 118.957 118.957 118.888 0.069 19201 5107 1 14 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.466 0.275 19201 5108 1 14 . 1 1 27 27 GLU C C 27 178.777 178.777 178.559 0.218 19201 5109 1 14 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.400 0.217 19201 5110 1 14 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.313 -0.631 19201 5111 1 14 . 1 1 27 27 GLU H H 27 8.497 8.497 8.742 -0.245 19201 5112 1 14 . 1 1 28 28 GLU N N 28 118.812 118.812 117.938 0.874 19201 5113 1 14 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.928 -0.007 19201 5114 1 14 . 1 1 28 28 GLU C C 28 179.241 179.241 177.966 1.275 19201 5115 1 14 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.630 0.615 19201 5116 1 14 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.141 0.618 19201 5117 1 14 . 1 1 28 28 GLU H H 28 7.967 7.967 8.221 -0.254 19201 5118 1 14 . 1 1 29 29 HIS N N 29 118.117 118.117 119.809 -1.692 19201 5119 1 14 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.405 -0.262 19201 5120 1 14 . 1 1 29 29 HIS C C 29 178.484 178.484 177.254 1.230 19201 5121 1 14 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.076 2.279 19201 5122 1 14 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.713 -3.652 19201 5123 1 14 . 1 1 29 29 HIS H H 29 7.791 7.791 7.563 0.228 19201 5124 1 14 . 1 1 30 30 VAL N N 30 122.416 122.416 119.863 2.553 19201 5125 1 14 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.286 0.122 19201 5126 1 14 . 1 1 30 30 VAL C C 30 178.303 178.303 178.139 0.164 19201 5127 1 14 . 1 1 30 30 VAL CA C 30 67.875 67.875 65.746 2.129 19201 5128 1 14 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.474 0.294 19201 5129 1 14 . 1 1 30 30 VAL H H 30 8.202 8.202 7.597 0.605 19201 5130 1 14 . 1 1 31 31 GLU N N 31 115.746 115.746 117.360 -1.614 19201 5131 1 14 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.212 0.513 19201 5132 1 14 . 1 1 31 31 GLU C C 31 178.071 178.071 176.960 1.111 19201 5133 1 14 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.234 -0.207 19201 5134 1 14 . 1 1 31 31 GLU CB C 31 28.771 28.771 29.047 -0.276 19201 5135 1 14 . 1 1 31 31 GLU H H 31 7.969 7.969 8.176 -0.207 19201 5136 1 14 . 1 1 32 32 SER N N 32 115.845 115.845 111.893 3.952 19201 5137 1 14 . 1 1 32 32 SER HA H 32 4.223 4.223 4.296 -0.073 19201 5138 1 14 . 1 1 32 32 SER C C 32 174.855 174.855 175.428 -0.573 19201 5139 1 14 . 1 1 32 32 SER CA C 32 60.645 60.645 60.121 0.524 19201 5140 1 14 . 1 1 32 32 SER CB C 32 62.815 62.815 63.216 -0.401 19201 5141 1 14 . 1 1 32 32 SER H H 32 7.584 7.584 7.278 0.306 19201 5142 1 14 . 1 1 33 33 HIS N N 33 118.635 118.635 119.015 -0.380 19201 5143 1 14 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.585 -0.136 19201 5144 1 14 . 1 1 33 33 HIS C C 33 175.524 175.524 176.491 -0.967 19201 5145 1 14 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.051 -1.025 19201 5146 1 14 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.869 -1.566 19201 5147 1 14 . 1 1 33 33 HIS H H 33 7.286 7.286 7.954 -0.668 19201 5148 1 14 . 1 1 34 34 TRP N N 34 121.219 121.219 121.245 -0.026 19201 5149 1 14 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.835 -0.499 19201 5150 1 14 . 1 1 34 34 TRP C C 34 175.644 175.644 176.594 -0.950 19201 5151 1 14 . 1 1 34 34 TRP CA C 34 58.324 58.324 56.014 2.310 19201 5152 1 14 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.547 0.715 19201 5153 1 14 . 1 1 34 34 TRP H H 34 7.949 7.949 7.760 0.189 19201 5154 1 14 . 1 1 35 35 LYS N N 35 122.872 122.872 124.483 -1.611 19201 5155 1 14 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.213 0.127 19201 5156 1 14 . 1 1 35 35 LYS C C 35 175.286 175.286 175.754 -0.468 19201 5157 1 14 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.644 0.962 19201 5158 1 14 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.498 1.887 19201 5159 1 14 . 1 1 35 35 LYS H H 35 8.581 8.581 8.577 0.004 19201 5160 1 14 . 1 1 36 36 VAL N N 36 122.386 122.386 125.623 -3.237 19201 5161 1 14 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.588 0.343 19201 5162 1 14 . 1 1 36 36 VAL C C 36 176.320 176.320 176.163 0.157 19201 5163 1 14 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.127 0.228 19201 5164 1 14 . 1 1 36 36 VAL CB C 36 34.607 34.607 32.946 1.661 19201 5165 1 14 . 1 1 36 36 VAL H H 36 8.313 8.313 8.231 0.082 19201 5166 1 14 . 1 1 37 37 CYS N N 37 130.378 130.378 129.270 1.108 19201 5167 1 14 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.295 -0.391 19201 5168 1 14 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.551 0.909 19201 5169 1 14 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.335 2.303 19201 5170 1 14 . 1 1 37 37 CYS H H 37 9.165 9.165 9.054 0.111 19201 5171 1 14 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.471 0.112 19201 5172 1 14 . 1 1 38 38 PRO C C 38 176.933 176.933 176.934 -0.001 19201 5173 1 14 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.576 -1.356 19201 5174 1 14 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.973 0.342 19201 5175 1 14 . 1 1 39 39 MET N N 39 119.180 119.180 115.400 3.780 19201 5176 1 14 . 1 1 39 39 MET HA H 39 4.534 4.534 4.572 -0.038 19201 5177 1 14 . 1 1 39 39 MET C C 39 176.454 176.454 177.112 -0.658 19201 5178 1 14 . 1 1 39 39 MET CA C 39 55.971 55.971 56.974 -1.003 19201 5179 1 14 . 1 1 39 39 MET CB C 39 32.539 32.539 34.195 -1.656 19201 5180 1 14 . 1 1 39 39 MET H H 39 9.054 9.054 7.964 1.090 19201 5181 1 14 . 1 1 40 40 CYS N N 40 118.414 118.414 117.740 0.674 19201 5182 1 14 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.583 0.440 19201 5183 1 14 . 1 1 40 40 CYS C C 40 175.288 175.288 175.394 -0.106 19201 5184 1 14 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.886 -0.316 19201 5185 1 14 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.799 2.902 19201 5186 1 14 . 1 1 40 40 CYS H H 40 8.096 8.096 8.089 0.007 19201 5187 1 14 . 1 1 41 41 SER N N 41 113.638 113.638 113.864 -0.226 19201 5188 1 14 . 1 1 41 41 SER HA H 41 4.291 4.291 4.331 -0.040 19201 5189 1 14 . 1 1 41 41 SER C C 41 173.193 173.193 173.517 -0.324 19201 5190 1 14 . 1 1 41 41 SER CA C 41 60.401 60.401 59.660 0.741 19201 5191 1 14 . 1 1 41 41 SER CB C 41 62.177 62.177 60.985 1.192 19201 5192 1 14 . 1 1 41 41 SER H H 41 7.916 7.916 8.340 -0.424 19201 5193 1 14 . 1 1 42 42 GLU N N 42 124.849 124.849 120.801 4.048 19201 5194 1 14 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.444 -0.525 19201 5195 1 14 . 1 1 42 42 GLU C C 42 174.373 174.373 175.182 -0.809 19201 5196 1 14 . 1 1 42 42 GLU CA C 42 58.350 58.350 54.983 3.366 19201 5197 1 14 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.113 -1.461 19201 5198 1 14 . 1 1 42 42 GLU H H 42 8.483 8.483 8.170 0.313 19201 5199 1 14 . 1 1 43 43 GLN N N 43 122.061 122.061 122.882 -0.821 19201 5200 1 14 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.617 0.425 19201 5201 1 14 . 1 1 43 43 GLN C C 43 175.251 175.251 175.103 0.148 19201 5202 1 14 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.201 -0.807 19201 5203 1 14 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.291 0.931 19201 5204 1 14 . 1 1 43 43 GLN H H 43 8.047 8.047 8.636 -0.589 19201 5205 1 14 . 1 1 44 44 PHE N N 44 122.827 122.827 124.036 -1.209 19201 5206 1 14 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.640 0.038 19201 5207 1 14 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.920 -0.926 19201 5208 1 14 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.988 -0.080 19201 5209 1 14 . 1 1 44 44 PHE H H 44 9.312 9.312 8.893 0.419 19201 5210 1 14 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.062 -0.531 19201 5211 1 14 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.460 -0.249 19201 5212 1 14 . 1 1 45 45 PRO CB C 45 30.889 30.889 30.544 0.345 19201 5213 1 14 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.678 -0.514 19201 5214 1 14 . 1 1 46 46 PRO C C 46 176.621 176.621 176.368 0.253 19201 5215 1 14 . 1 1 46 46 PRO CA C 46 64.451 64.451 64.909 -0.458 19201 5216 1 14 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.948 -0.058 19201 5217 1 14 . 1 1 47 47 ASP N N 47 113.411 113.411 116.429 -3.018 19201 5218 1 14 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.567 -0.091 19201 5219 1 14 . 1 1 47 47 ASP C C 47 175.831 175.831 176.313 -0.482 19201 5220 1 14 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.741 -1.858 19201 5221 1 14 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.801 -1.250 19201 5222 1 14 . 1 1 47 47 ASP H H 47 8.028 8.028 8.139 -0.111 19201 5223 1 14 . 1 1 48 48 TYR N N 48 122.527 122.527 121.327 1.200 19201 5224 1 14 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.282 -0.079 19201 5225 1 14 . 1 1 48 48 TYR C C 48 175.189 175.189 175.363 -0.174 19201 5226 1 14 . 1 1 48 48 TYR CA C 48 58.809 58.809 59.273 -0.464 19201 5227 1 14 . 1 1 48 48 TYR CB C 48 39.307 39.307 38.108 1.198 19201 5228 1 14 . 1 1 48 48 TYR H H 48 7.812 7.812 7.827 -0.015 19201 5229 1 14 . 1 1 49 49 ASP N N 49 125.426 125.426 125.143 0.283 19201 5230 1 14 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.637 -0.328 19201 5231 1 14 . 1 1 49 49 ASP C C 49 176.996 176.996 177.105 -0.109 19201 5232 1 14 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.045 0.832 19201 5233 1 14 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.072 -0.767 19201 5234 1 14 . 1 1 49 49 ASP H H 49 8.012 8.012 8.207 -0.195 19201 5235 1 14 . 1 1 50 50 GLN N N 50 126.958 126.958 123.105 3.853 19201 5236 1 14 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.140 -0.151 19201 5237 1 14 . 1 1 50 50 GLN C C 50 177.779 177.779 178.044 -0.265 19201 5238 1 14 . 1 1 50 50 GLN CA C 50 58.918 58.918 58.713 0.205 19201 5239 1 14 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.762 -0.504 19201 5240 1 14 . 1 1 50 50 GLN H H 50 8.873 8.873 8.781 0.092 19201 5241 1 14 . 1 1 51 51 GLN N N 51 117.767 117.767 120.183 -2.416 19201 5242 1 14 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.057 0.096 19201 5243 1 14 . 1 1 51 51 GLN C C 51 179.003 179.003 178.291 0.712 19201 5244 1 14 . 1 1 51 51 GLN CA C 51 59.130 59.130 59.068 0.062 19201 5245 1 14 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.315 0.055 19201 5246 1 14 . 1 1 51 51 GLN H H 51 8.425 8.425 8.691 -0.266 19201 5247 1 14 . 1 1 52 52 VAL N N 52 122.144 122.144 119.004 3.140 19201 5248 1 14 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.680 -0.117 19201 5249 1 14 . 1 1 52 52 VAL C C 52 179.252 179.252 177.982 1.270 19201 5250 1 14 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.642 0.888 19201 5251 1 14 . 1 1 52 52 VAL CB C 52 31.615 31.615 30.617 0.998 19201 5252 1 14 . 1 1 52 52 VAL H H 52 7.864 7.864 7.923 -0.059 19201 5253 1 14 . 1 1 53 53 PHE N N 53 122.104 122.104 121.328 0.776 19201 5254 1 14 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.205 -0.429 19201 5255 1 14 . 1 1 53 53 PHE C C 53 176.497 176.497 177.013 -0.516 19201 5256 1 14 . 1 1 53 53 PHE CA C 53 61.517 61.517 60.912 0.605 19201 5257 1 14 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.212 -0.109 19201 5258 1 14 . 1 1 53 53 PHE H H 53 8.291 8.291 8.232 0.059 19201 5259 1 14 . 1 1 54 54 GLU N N 54 118.755 118.755 119.564 -0.809 19201 5260 1 14 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.861 -0.171 19201 5261 1 14 . 1 1 54 54 GLU C C 54 179.450 179.450 179.332 0.118 19201 5262 1 14 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.942 -0.096 19201 5263 1 14 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.872 0.089 19201 5264 1 14 . 1 1 54 54 GLU H H 54 8.613 8.613 8.786 -0.173 19201 5265 1 14 . 1 1 55 55 ARG N N 55 119.023 119.023 118.130 0.893 19201 5266 1 14 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.006 0.001 19201 5267 1 14 . 1 1 55 55 ARG C C 55 178.908 178.908 178.854 0.054 19201 5268 1 14 . 1 1 55 55 ARG CA C 55 59.150 59.150 59.288 -0.138 19201 5269 1 14 . 1 1 55 55 ARG CB C 55 29.846 29.846 30.099 -0.253 19201 5270 1 14 . 1 1 55 55 ARG H H 55 8.006 8.006 7.693 0.313 19201 5271 1 14 . 1 1 56 56 HIS N N 56 119.517 119.517 119.316 0.201 19201 5272 1 14 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.336 -0.224 19201 5273 1 14 . 1 1 56 56 HIS C C 56 178.078 178.078 177.838 0.240 19201 5274 1 14 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.162 1.195 19201 5275 1 14 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.473 -2.656 19201 5276 1 14 . 1 1 56 56 HIS H H 56 7.921 7.921 7.421 0.500 19201 5277 1 14 . 1 1 57 57 VAL N N 57 121.280 121.280 120.710 0.570 19201 5278 1 14 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.508 -0.064 19201 5279 1 14 . 1 1 57 57 VAL C C 57 177.845 177.845 178.241 -0.396 19201 5280 1 14 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.348 2.040 19201 5281 1 14 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.284 0.465 19201 5282 1 14 . 1 1 57 57 VAL H H 57 8.131 8.131 7.901 0.230 19201 5283 1 14 . 1 1 58 58 GLN N N 58 115.274 115.274 117.716 -2.442 19201 5284 1 14 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.348 -0.350 19201 5285 1 14 . 1 1 58 58 GLN C C 58 178.690 178.690 178.297 0.393 19201 5286 1 14 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.466 -0.515 19201 5287 1 14 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.219 0.041 19201 5288 1 14 . 1 1 58 58 GLN H H 58 7.745 7.745 8.421 -0.676 19201 5289 1 14 . 1 1 59 59 THR N N 59 112.271 112.271 111.037 1.234 19201 5290 1 14 . 1 1 59 59 THR HA H 59 4.078 4.078 4.129 -0.051 19201 5291 1 14 . 1 1 59 59 THR C C 59 176.280 176.280 175.799 0.481 19201 5292 1 14 . 1 1 59 59 THR CA C 59 65.185 65.185 65.270 -0.085 19201 5293 1 14 . 1 1 59 59 THR CB C 59 69.186 69.186 68.520 0.665 19201 5294 1 14 . 1 1 59 59 THR H H 59 7.658 7.658 8.057 -0.399 19201 5295 1 14 . 1 1 60 60 HIS N N 60 117.387 117.387 119.857 -2.470 19201 5296 1 14 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.332 0.030 19201 5297 1 14 . 1 1 60 60 HIS C C 60 175.307 175.307 176.212 -0.905 19201 5298 1 14 . 1 1 60 60 HIS CA C 60 57.055 57.055 57.125 -0.070 19201 5299 1 14 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.567 -1.381 19201 5300 1 14 . 1 1 60 60 HIS H H 60 7.226 7.226 7.477 -0.251 19201 5301 1 14 . 1 1 61 61 PHE N N 61 118.105 118.105 116.841 1.264 19201 5302 1 14 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.414 0.233 19201 5303 1 14 . 1 1 61 61 PHE C C 61 175.798 175.798 176.961 -1.163 19201 5304 1 14 . 1 1 61 61 PHE CA C 61 57.751 57.751 59.957 -2.206 19201 5305 1 14 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.337 0.232 19201 5306 1 14 . 1 1 61 61 PHE H H 61 7.601 7.601 7.236 0.365 19201 5307 1 14 . 1 1 62 62 ASP N N 62 120.979 120.979 116.700 4.279 19201 5308 1 14 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.631 -0.054 19201 5309 1 14 . 1 1 62 62 ASP C C 62 176.531 176.531 177.038 -0.507 19201 5310 1 14 . 1 1 62 62 ASP CA C 62 54.888 54.888 55.876 -0.988 19201 5311 1 14 . 1 1 62 62 ASP CB C 62 41.210 41.210 42.095 -0.885 19201 5312 1 14 . 1 1 62 62 ASP H H 62 8.021 8.021 8.412 -0.391 19201 5313 1 14 . 1 1 63 63 GLN N N 63 120.043 120.043 113.518 6.525 19201 5314 1 14 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.980 0.291 19201 5315 1 14 . 1 1 63 63 GLN C C 63 175.955 175.955 175.077 0.878 19201 5316 1 14 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.139 -0.992 19201 5317 1 14 . 1 1 63 63 GLN CB C 63 29.184 29.184 26.580 2.604 19201 5318 1 14 . 1 1 63 63 GLN H H 63 8.274 8.274 8.088 0.186 19201 5319 1 14 . 1 1 64 64 ASN N N 64 119.150 119.150 113.581 5.569 19201 5320 1 14 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.439 0.229 19201 5321 1 14 . 1 1 64 64 ASN C C 64 175.159 175.159 175.476 -0.317 19201 5322 1 14 . 1 1 64 64 ASN CA C 64 53.645 53.645 54.520 -0.875 19201 5323 1 14 . 1 1 64 64 ASN CB C 64 38.855 38.855 37.652 1.203 19201 5324 1 14 . 1 1 64 64 ASN H H 64 8.406 8.406 8.284 0.122 19201 5325 1 14 . 1 1 65 65 VAL N N 65 119.684 119.684 113.540 6.144 19201 5326 1 14 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.601 0.438 19201 5327 1 14 . 1 1 65 65 VAL C C 65 175.835 175.835 174.920 0.915 19201 5328 1 14 . 1 1 65 65 VAL CA C 65 62.523 62.523 64.285 -1.762 19201 5329 1 14 . 1 1 65 65 VAL CB C 65 32.584 32.584 30.956 1.628 19201 5330 1 14 . 1 1 65 65 VAL H H 65 7.904 7.904 7.689 0.215 19201 5331 1 14 . 1 1 66 66 LEU N N 66 124.819 124.819 122.219 2.600 19201 5332 1 14 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.550 -0.283 19201 5333 1 14 . 1 1 66 66 LEU C C 66 176.316 176.316 175.360 0.956 19201 5334 1 14 . 1 1 66 66 LEU CA C 66 54.899 54.899 54.322 0.577 19201 5335 1 14 . 1 1 66 66 LEU CB C 66 42.404 42.404 40.632 1.772 19201 5336 1 14 . 1 1 66 66 LEU H H 66 8.115 8.115 7.700 0.415 19201 5337 1 14 . 1 1 67 67 ASN N N 67 119.012 119.012 121.482 -2.470 19201 5338 1 14 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.883 -0.248 19201 5339 1 14 . 1 1 67 67 ASN C C 67 174.316 174.316 173.777 0.539 19201 5340 1 14 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.763 -0.799 19201 5341 1 14 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.450 0.126 19201 5342 1 14 . 1 1 67 67 ASN H H 67 8.057 8.057 8.262 -0.205 19201 5343 1 14 . 1 1 68 68 PHE N N 68 121.187 121.187 122.742 -1.555 19201 5344 1 14 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.696 -0.042 19201 5345 1 14 . 1 1 68 68 PHE C C 68 174.610 174.610 174.654 -0.044 19201 5346 1 14 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.981 -1.584 19201 5347 1 14 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.578 0.146 19201 5348 1 14 . 1 1 68 68 PHE H H 68 8.208 8.208 8.177 0.031 19201 5349 1 15 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.836 -0.405 19201 5350 1 15 . 1 1 2 2 PRO C C 2 176.542 176.542 175.975 0.567 19201 5351 1 15 . 1 1 2 2 PRO CA C 2 62.968 62.968 62.732 0.236 19201 5352 1 15 . 1 1 2 2 PRO CB C 2 32.299 32.299 30.789 1.510 19201 5353 1 15 . 1 1 3 3 HIS N N 3 119.528 119.528 123.636 -4.108 19201 5354 1 15 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.517 0.126 19201 5355 1 15 . 1 1 3 3 HIS C C 3 174.598 174.598 174.699 -0.101 19201 5356 1 15 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.864 -1.139 19201 5357 1 15 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.892 -1.397 19201 5358 1 15 . 1 1 3 3 HIS H H 3 8.651 8.651 8.537 0.114 19201 5359 1 15 . 1 1 4 4 MET N N 4 122.541 122.541 119.885 2.656 19201 5360 1 15 . 1 1 4 4 MET HA H 4 4.474 4.474 4.548 -0.074 19201 5361 1 15 . 1 1 4 4 MET C C 4 175.419 175.419 173.996 1.423 19201 5362 1 15 . 1 1 4 4 MET CA C 4 55.207 55.207 55.469 -0.262 19201 5363 1 15 . 1 1 4 4 MET CB C 4 33.158 33.158 34.112 -0.954 19201 5364 1 15 . 1 1 4 4 MET H H 4 8.403 8.403 8.117 0.286 19201 5365 1 15 . 1 1 5 5 ASP N N 5 122.333 122.333 125.663 -3.330 19201 5366 1 15 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.774 -0.149 19201 5367 1 15 . 1 1 5 5 ASP C C 5 175.734 175.734 174.703 1.031 19201 5368 1 15 . 1 1 5 5 ASP CA C 5 54.259 54.259 53.659 0.600 19201 5369 1 15 . 1 1 5 5 ASP CB C 5 41.323 41.323 43.359 -2.036 19201 5370 1 15 . 1 1 5 5 ASP H H 5 8.513 8.513 8.222 0.291 19201 5371 1 15 . 1 1 6 6 VAL N N 6 118.762 118.762 119.192 -0.430 19201 5372 1 15 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.282 -0.137 19201 5373 1 15 . 1 1 6 6 VAL C C 6 175.686 175.686 174.559 1.127 19201 5374 1 15 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.309 0.546 19201 5375 1 15 . 1 1 6 6 VAL CB C 6 32.997 32.997 31.204 1.793 19201 5376 1 15 . 1 1 6 6 VAL H H 6 8.011 8.011 8.084 -0.073 19201 5377 1 15 . 1 1 7 7 HIS N N 7 121.430 121.430 120.242 1.188 19201 5378 1 15 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.574 -0.075 19201 5379 1 15 . 1 1 7 7 HIS C C 7 174.456 174.456 175.012 -0.556 19201 5380 1 15 . 1 1 7 7 HIS CA C 7 56.097 56.097 56.830 -0.732 19201 5381 1 15 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.130 0.494 19201 5382 1 15 . 1 1 7 7 HIS H H 7 8.323 8.323 8.586 -0.263 19201 5383 1 15 . 1 1 8 8 LYS N N 8 122.591 122.591 120.502 2.089 19201 5384 1 15 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.615 -0.294 19201 5385 1 15 . 1 1 8 8 LYS C C 8 174.443 174.443 175.176 -0.733 19201 5386 1 15 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.885 1.011 19201 5387 1 15 . 1 1 8 8 LYS CB C 8 33.984 33.984 30.941 3.043 19201 5388 1 15 . 1 1 8 8 LYS H H 8 8.515 8.515 8.303 0.212 19201 5389 1 15 . 1 1 9 9 LYS N N 9 124.787 124.787 122.084 2.703 19201 5390 1 15 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.172 0.006 19201 5391 1 15 . 1 1 9 9 LYS C C 9 176.374 176.374 176.266 0.108 19201 5392 1 15 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.851 -0.281 19201 5393 1 15 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.647 0.841 19201 5394 1 15 . 1 1 9 9 LYS H H 9 8.383 8.383 8.344 0.039 19201 5395 1 15 . 1 1 10 10 CYS N N 10 129.698 129.698 124.060 5.638 19201 5396 1 15 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.618 0.198 19201 5397 1 15 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.821 0.139 19201 5398 1 15 . 1 1 10 10 CYS CB C 10 30.731 30.731 26.896 3.835 19201 5399 1 15 . 1 1 10 10 CYS H H 10 8.999 8.999 8.805 0.194 19201 5400 1 15 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.552 0.030 19201 5401 1 15 . 1 1 11 11 PRO C C 11 177.219 177.219 176.071 1.148 19201 5402 1 15 . 1 1 11 11 PRO CA C 11 64.201 64.201 64.499 -0.298 19201 5403 1 15 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.527 0.794 19201 5404 1 15 . 1 1 12 12 LEU N N 12 121.846 121.846 116.937 4.909 19201 5405 1 15 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.368 0.038 19201 5406 1 15 . 1 1 12 12 LEU C C 12 176.492 176.492 176.843 -0.351 19201 5407 1 15 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.046 0.098 19201 5408 1 15 . 1 1 12 12 LEU CB C 12 43.242 43.242 42.097 1.145 19201 5409 1 15 . 1 1 12 12 LEU H H 12 9.347 9.347 8.068 1.279 19201 5410 1 15 . 1 1 13 13 CYS N N 13 119.509 119.509 114.835 4.674 19201 5411 1 15 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.767 0.174 19201 5412 1 15 . 1 1 13 13 CYS C C 13 173.792 173.792 174.240 -0.448 19201 5413 1 15 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.434 0.108 19201 5414 1 15 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.575 1.314 19201 5415 1 15 . 1 1 13 13 CYS H H 13 7.879 7.879 7.653 0.226 19201 5416 1 15 . 1 1 14 14 GLU N N 14 114.443 114.443 119.374 -4.931 19201 5417 1 15 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.262 -0.098 19201 5418 1 15 . 1 1 14 14 GLU C C 14 175.831 175.831 175.839 -0.008 19201 5419 1 15 . 1 1 14 14 GLU CA C 14 57.399 57.399 55.790 1.609 19201 5420 1 15 . 1 1 14 14 GLU CB C 14 28.737 28.737 30.187 -1.450 19201 5421 1 15 . 1 1 14 14 GLU H H 14 8.112 8.112 8.227 -0.115 19201 5422 1 15 . 1 1 15 15 LEU N N 15 124.338 124.338 124.034 0.304 19201 5423 1 15 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.147 -0.279 19201 5424 1 15 . 1 1 15 15 LEU C C 15 174.900 174.900 175.792 -0.892 19201 5425 1 15 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.900 1.206 19201 5426 1 15 . 1 1 15 15 LEU CB C 15 43.170 43.170 42.948 0.222 19201 5427 1 15 . 1 1 15 15 LEU H H 15 8.403 8.403 7.620 0.783 19201 5428 1 15 . 1 1 16 16 MET N N 16 121.138 121.138 124.722 -3.584 19201 5429 1 15 . 1 1 16 16 MET HA H 16 4.964 4.964 4.694 0.270 19201 5430 1 15 . 1 1 16 16 MET C C 16 175.457 175.457 175.989 -0.532 19201 5431 1 15 . 1 1 16 16 MET CA C 16 53.699 53.699 55.612 -1.913 19201 5432 1 15 . 1 1 16 16 MET CB C 16 34.779 34.779 33.566 1.213 19201 5433 1 15 . 1 1 16 16 MET H H 16 7.738 7.738 8.282 -0.544 19201 5434 1 15 . 1 1 17 17 PHE N N 17 122.417 122.417 122.858 -0.441 19201 5435 1 15 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.986 -0.452 19201 5436 1 15 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.661 -0.091 19201 5437 1 15 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.636 0.165 19201 5438 1 15 . 1 1 17 17 PHE H H 17 8.868 8.868 9.023 -0.155 19201 5439 1 15 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.980 -0.423 19201 5440 1 15 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.721 0.875 19201 5441 1 15 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.791 -0.726 19201 5442 1 15 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.521 -0.300 19201 5443 1 15 . 1 1 19 19 PRO C C 19 176.899 176.899 175.770 1.129 19201 5444 1 15 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.805 0.368 19201 5445 1 15 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.357 1.473 19201 5446 1 15 . 1 1 20 20 ASN N N 20 113.731 113.731 117.570 -3.839 19201 5447 1 15 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.779 -0.218 19201 5448 1 15 . 1 1 20 20 ASN C C 20 174.737 174.737 174.557 0.180 19201 5449 1 15 . 1 1 20 20 ASN CA C 20 52.884 52.884 53.312 -0.428 19201 5450 1 15 . 1 1 20 20 ASN CB C 20 37.271 37.271 40.431 -3.160 19201 5451 1 15 . 1 1 20 20 ASN H H 20 8.330 8.330 8.443 -0.113 19201 5452 1 15 . 1 1 21 21 TYR N N 21 121.548 121.548 120.117 1.431 19201 5453 1 15 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.769 -0.565 19201 5454 1 15 . 1 1 21 21 TYR C C 21 174.916 174.916 174.389 0.527 19201 5455 1 15 . 1 1 21 21 TYR CA C 21 58.941 58.941 56.694 2.247 19201 5456 1 15 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.673 -0.219 19201 5457 1 15 . 1 1 21 21 TYR H H 21 7.666 7.666 7.624 0.042 19201 5458 1 15 . 1 1 22 22 ASP N N 22 126.191 126.191 121.589 4.602 19201 5459 1 15 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.571 -0.307 19201 5460 1 15 . 1 1 22 22 ASP C C 22 176.536 176.536 176.649 -0.113 19201 5461 1 15 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.671 2.256 19201 5462 1 15 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.035 -0.708 19201 5463 1 15 . 1 1 22 22 ASP H H 22 7.832 7.832 8.515 -0.683 19201 5464 1 15 . 1 1 23 23 GLN N N 23 127.794 127.794 123.604 4.190 19201 5465 1 15 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.151 -0.161 19201 5466 1 15 . 1 1 23 23 GLN C C 23 178.011 178.011 178.181 -0.170 19201 5467 1 15 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.102 -0.146 19201 5468 1 15 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.708 -0.726 19201 5469 1 15 . 1 1 23 23 GLN H H 23 8.891 8.891 8.841 0.050 19201 5470 1 15 . 1 1 24 24 SER N N 24 115.542 115.542 114.947 0.595 19201 5471 1 15 . 1 1 24 24 SER HA H 24 4.298 4.298 4.574 -0.276 19201 5472 1 15 . 1 1 24 24 SER C C 24 177.419 177.419 176.290 1.129 19201 5473 1 15 . 1 1 24 24 SER CA C 24 61.975 61.975 61.664 0.311 19201 5474 1 15 . 1 1 24 24 SER CB C 24 61.975 61.975 63.048 -1.073 19201 5475 1 15 . 1 1 24 24 SER H H 24 8.479 8.479 8.987 -0.508 19201 5476 1 15 . 1 1 25 25 LYS N N 25 123.099 123.099 123.128 -0.029 19201 5477 1 15 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.299 -0.120 19201 5478 1 15 . 1 1 25 25 LYS C C 25 180.064 180.064 178.857 1.207 19201 5479 1 15 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.894 -0.589 19201 5480 1 15 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.289 -0.618 19201 5481 1 15 . 1 1 25 25 LYS H H 25 7.734 7.734 7.605 0.129 19201 5482 1 15 . 1 1 26 26 PHE N N 26 123.746 123.746 121.003 2.743 19201 5483 1 15 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.816 0.034 19201 5484 1 15 . 1 1 26 26 PHE C C 26 176.469 176.469 176.891 -0.422 19201 5485 1 15 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.841 -0.082 19201 5486 1 15 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.898 0.265 19201 5487 1 15 . 1 1 26 26 PHE H H 26 8.414 8.414 8.514 -0.100 19201 5488 1 15 . 1 1 27 27 GLU N N 27 118.957 118.957 118.429 0.528 19201 5489 1 15 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.852 -0.111 19201 5490 1 15 . 1 1 27 27 GLU C C 27 178.777 178.777 178.841 -0.064 19201 5491 1 15 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.551 0.066 19201 5492 1 15 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.267 -0.585 19201 5493 1 15 . 1 1 27 27 GLU H H 27 8.497 8.497 7.791 0.706 19201 5494 1 15 . 1 1 28 28 GLU N N 28 118.812 118.812 119.615 -0.803 19201 5495 1 15 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.898 0.023 19201 5496 1 15 . 1 1 28 28 GLU C C 28 179.241 179.241 178.230 1.011 19201 5497 1 15 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.369 -0.124 19201 5498 1 15 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.444 0.315 19201 5499 1 15 . 1 1 28 28 GLU H H 28 7.967 7.967 8.250 -0.283 19201 5500 1 15 . 1 1 29 29 HIS N N 29 118.117 118.117 119.771 -1.654 19201 5501 1 15 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.229 -0.086 19201 5502 1 15 . 1 1 29 29 HIS C C 29 178.484 178.484 177.534 0.950 19201 5503 1 15 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.699 1.657 19201 5504 1 15 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.261 -3.200 19201 5505 1 15 . 1 1 29 29 HIS H H 29 7.791 7.791 7.658 0.133 19201 5506 1 15 . 1 1 30 30 VAL N N 30 122.416 122.416 119.668 2.748 19201 5507 1 15 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.569 -0.161 19201 5508 1 15 . 1 1 30 30 VAL C C 30 178.303 178.303 177.587 0.716 19201 5509 1 15 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.632 1.242 19201 5510 1 15 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.449 0.318 19201 5511 1 15 . 1 1 30 30 VAL H H 30 8.202 8.202 7.665 0.537 19201 5512 1 15 . 1 1 31 31 GLU N N 31 115.746 115.746 118.554 -2.808 19201 5513 1 15 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.623 1.101 19201 5514 1 15 . 1 1 31 31 GLU C C 31 178.071 178.071 178.266 -0.195 19201 5515 1 15 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.072 -0.045 19201 5516 1 15 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.895 -0.124 19201 5517 1 15 . 1 1 31 31 GLU H H 31 7.969 7.969 8.390 -0.421 19201 5518 1 15 . 1 1 32 32 SER N N 32 115.845 115.845 113.526 2.319 19201 5519 1 15 . 1 1 32 32 SER HA H 32 4.223 4.223 4.294 -0.071 19201 5520 1 15 . 1 1 32 32 SER C C 32 174.855 174.855 175.134 -0.279 19201 5521 1 15 . 1 1 32 32 SER CA C 32 60.645 60.645 60.505 0.140 19201 5522 1 15 . 1 1 32 32 SER CB C 32 62.815 62.815 63.315 -0.500 19201 5523 1 15 . 1 1 32 32 SER H H 32 7.584 7.584 7.584 -0.000 19201 5524 1 15 . 1 1 33 33 HIS N N 33 118.635 118.635 119.241 -0.606 19201 5525 1 15 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.464 -0.015 19201 5526 1 15 . 1 1 33 33 HIS C C 33 175.524 175.524 175.707 -0.183 19201 5527 1 15 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.707 -1.681 19201 5528 1 15 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.684 -1.381 19201 5529 1 15 . 1 1 33 33 HIS H H 33 7.286 7.286 7.619 -0.333 19201 5530 1 15 . 1 1 34 34 TRP N N 34 121.219 121.219 119.182 2.037 19201 5531 1 15 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.993 -0.657 19201 5532 1 15 . 1 1 34 34 TRP C C 34 175.644 175.644 176.760 -1.116 19201 5533 1 15 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.487 2.837 19201 5534 1 15 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.316 0.946 19201 5535 1 15 . 1 1 34 34 TRP H H 34 7.949 7.949 7.248 0.701 19201 5536 1 15 . 1 1 35 35 LYS N N 35 122.872 122.872 123.929 -1.057 19201 5537 1 15 . 1 1 35 35 LYS HA H 35 4.340 4.340 3.991 0.349 19201 5538 1 15 . 1 1 35 35 LYS C C 35 175.286 175.286 175.854 -0.568 19201 5539 1 15 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.759 0.847 19201 5540 1 15 . 1 1 35 35 LYS CB C 35 33.385 33.385 30.899 2.486 19201 5541 1 15 . 1 1 35 35 LYS H H 35 8.581 8.581 8.524 0.057 19201 5542 1 15 . 1 1 36 36 VAL N N 36 122.386 122.386 125.890 -3.504 19201 5543 1 15 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.710 0.221 19201 5544 1 15 . 1 1 36 36 VAL C C 36 176.320 176.320 176.179 0.141 19201 5545 1 15 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.834 -0.479 19201 5546 1 15 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.536 1.071 19201 5547 1 15 . 1 1 36 36 VAL H H 36 8.313 8.313 8.131 0.182 19201 5548 1 15 . 1 1 37 37 CYS N N 37 130.378 130.378 129.613 0.765 19201 5549 1 15 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.078 -0.174 19201 5550 1 15 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.590 0.870 19201 5551 1 15 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.114 2.524 19201 5552 1 15 . 1 1 37 37 CYS H H 37 9.165 9.165 9.380 -0.215 19201 5553 1 15 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.395 0.188 19201 5554 1 15 . 1 1 38 38 PRO C C 38 176.933 176.933 176.923 0.010 19201 5555 1 15 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.917 -1.697 19201 5556 1 15 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.897 0.418 19201 5557 1 15 . 1 1 39 39 MET N N 39 119.180 119.180 115.358 3.822 19201 5558 1 15 . 1 1 39 39 MET HA H 39 4.534 4.534 4.303 0.231 19201 5559 1 15 . 1 1 39 39 MET C C 39 176.454 176.454 177.705 -1.251 19201 5560 1 15 . 1 1 39 39 MET CA C 39 55.971 55.971 57.509 -1.538 19201 5561 1 15 . 1 1 39 39 MET CB C 39 32.539 32.539 32.240 0.299 19201 5562 1 15 . 1 1 39 39 MET H H 39 9.054 9.054 8.042 1.012 19201 5563 1 15 . 1 1 40 40 CYS N N 40 118.414 118.414 115.244 3.170 19201 5564 1 15 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.572 0.451 19201 5565 1 15 . 1 1 40 40 CYS C C 40 175.288 175.288 175.489 -0.201 19201 5566 1 15 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.560 0.010 19201 5567 1 15 . 1 1 40 40 CYS CB C 40 31.701 31.701 27.019 4.682 19201 5568 1 15 . 1 1 40 40 CYS H H 40 8.096 8.096 8.073 0.023 19201 5569 1 15 . 1 1 41 41 SER N N 41 113.638 113.638 113.224 0.414 19201 5570 1 15 . 1 1 41 41 SER HA H 41 4.291 4.291 4.222 0.069 19201 5571 1 15 . 1 1 41 41 SER C C 41 173.193 173.193 173.138 0.055 19201 5572 1 15 . 1 1 41 41 SER CA C 41 60.401 60.401 59.539 0.862 19201 5573 1 15 . 1 1 41 41 SER CB C 41 62.177 62.177 61.806 0.371 19201 5574 1 15 . 1 1 41 41 SER H H 41 7.916 7.916 8.595 -0.679 19201 5575 1 15 . 1 1 42 42 GLU N N 42 124.849 124.849 119.914 4.935 19201 5576 1 15 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.491 -0.572 19201 5577 1 15 . 1 1 42 42 GLU C C 42 174.373 174.373 175.110 -0.737 19201 5578 1 15 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.116 3.234 19201 5579 1 15 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.805 -2.152 19201 5580 1 15 . 1 1 42 42 GLU H H 42 8.483 8.483 7.943 0.540 19201 5581 1 15 . 1 1 43 43 GLN N N 43 122.061 122.061 122.503 -0.442 19201 5582 1 15 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.684 0.358 19201 5583 1 15 . 1 1 43 43 GLN C C 43 175.251 175.251 175.061 0.190 19201 5584 1 15 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.766 -0.372 19201 5585 1 15 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.619 0.603 19201 5586 1 15 . 1 1 43 43 GLN H H 43 8.047 8.047 8.593 -0.546 19201 5587 1 15 . 1 1 44 44 PHE N N 44 122.827 122.827 124.035 -1.208 19201 5588 1 15 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.688 -0.010 19201 5589 1 15 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.629 -0.635 19201 5590 1 15 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.402 0.506 19201 5591 1 15 . 1 1 44 44 PHE H H 44 9.312 9.312 8.820 0.492 19201 5592 1 15 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.269 -0.738 19201 5593 1 15 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.874 -0.663 19201 5594 1 15 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.203 -0.314 19201 5595 1 15 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.559 -0.395 19201 5596 1 15 . 1 1 46 46 PRO C C 46 176.621 176.621 176.954 -0.333 19201 5597 1 15 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.150 -0.699 19201 5598 1 15 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.752 0.138 19201 5599 1 15 . 1 1 47 47 ASP N N 47 113.411 113.411 114.170 -0.759 19201 5600 1 15 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.473 0.003 19201 5601 1 15 . 1 1 47 47 ASP C C 47 175.831 175.831 175.302 0.529 19201 5602 1 15 . 1 1 47 47 ASP CA C 47 52.883 52.883 53.699 -0.816 19201 5603 1 15 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.105 -0.554 19201 5604 1 15 . 1 1 47 47 ASP H H 47 8.028 8.028 8.402 -0.374 19201 5605 1 15 . 1 1 48 48 TYR N N 48 122.527 122.527 122.624 -0.097 19201 5606 1 15 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.301 -0.098 19201 5607 1 15 . 1 1 48 48 TYR C C 48 175.189 175.189 174.394 0.795 19201 5608 1 15 . 1 1 48 48 TYR CA C 48 58.809 58.809 59.039 -0.230 19201 5609 1 15 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.173 0.134 19201 5610 1 15 . 1 1 48 48 TYR H H 48 7.812 7.812 7.642 0.170 19201 5611 1 15 . 1 1 49 49 ASP N N 49 125.426 125.426 125.996 -0.570 19201 5612 1 15 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.619 -0.310 19201 5613 1 15 . 1 1 49 49 ASP C C 49 176.996 176.996 177.081 -0.085 19201 5614 1 15 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.035 0.842 19201 5615 1 15 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.258 -0.953 19201 5616 1 15 . 1 1 49 49 ASP H H 49 8.012 8.012 8.306 -0.294 19201 5617 1 15 . 1 1 50 50 GLN N N 50 126.958 126.958 123.207 3.751 19201 5618 1 15 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.130 -0.141 19201 5619 1 15 . 1 1 50 50 GLN C C 50 177.779 177.779 178.300 -0.521 19201 5620 1 15 . 1 1 50 50 GLN CA C 50 58.918 58.918 60.245 -1.327 19201 5621 1 15 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.779 -0.521 19201 5622 1 15 . 1 1 50 50 GLN H H 50 8.873 8.873 8.921 -0.048 19201 5623 1 15 . 1 1 51 51 GLN N N 51 117.767 117.767 118.094 -0.327 19201 5624 1 15 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.114 0.039 19201 5625 1 15 . 1 1 51 51 GLN C C 51 179.003 179.003 178.345 0.658 19201 5626 1 15 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.943 0.187 19201 5627 1 15 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.755 -0.384 19201 5628 1 15 . 1 1 51 51 GLN H H 51 8.425 8.425 8.299 0.126 19201 5629 1 15 . 1 1 52 52 VAL N N 52 122.144 122.144 119.736 2.408 19201 5630 1 15 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.672 -0.109 19201 5631 1 15 . 1 1 52 52 VAL C C 52 179.252 179.252 178.098 1.154 19201 5632 1 15 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.587 0.943 19201 5633 1 15 . 1 1 52 52 VAL CB C 52 31.615 31.615 30.839 0.776 19201 5634 1 15 . 1 1 52 52 VAL H H 52 7.864 7.864 7.497 0.367 19201 5635 1 15 . 1 1 53 53 PHE N N 53 122.104 122.104 122.378 -0.274 19201 5636 1 15 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.237 -0.461 19201 5637 1 15 . 1 1 53 53 PHE C C 53 176.497 176.497 177.015 -0.518 19201 5638 1 15 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.205 0.312 19201 5639 1 15 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.120 -0.017 19201 5640 1 15 . 1 1 53 53 PHE H H 53 8.291 8.291 8.790 -0.499 19201 5641 1 15 . 1 1 54 54 GLU N N 54 118.755 118.755 119.622 -0.867 19201 5642 1 15 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.683 0.007 19201 5643 1 15 . 1 1 54 54 GLU C C 54 179.450 179.450 179.018 0.432 19201 5644 1 15 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.487 0.359 19201 5645 1 15 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.217 -0.256 19201 5646 1 15 . 1 1 54 54 GLU H H 54 8.613 8.613 8.819 -0.206 19201 5647 1 15 . 1 1 55 55 ARG N N 55 119.023 119.023 119.050 -0.027 19201 5648 1 15 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.045 -0.038 19201 5649 1 15 . 1 1 55 55 ARG C C 55 178.908 178.908 178.785 0.123 19201 5650 1 15 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.792 0.358 19201 5651 1 15 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.603 0.243 19201 5652 1 15 . 1 1 55 55 ARG H H 55 8.006 8.006 8.527 -0.521 19201 5653 1 15 . 1 1 56 56 HIS N N 56 119.517 119.517 119.297 0.220 19201 5654 1 15 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.386 -0.274 19201 5655 1 15 . 1 1 56 56 HIS C C 56 178.078 178.078 177.868 0.210 19201 5656 1 15 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.311 1.046 19201 5657 1 15 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.607 -2.790 19201 5658 1 15 . 1 1 56 56 HIS H H 56 7.921 7.921 7.523 0.398 19201 5659 1 15 . 1 1 57 57 VAL N N 57 121.280 121.280 120.389 0.891 19201 5660 1 15 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.577 -0.133 19201 5661 1 15 . 1 1 57 57 VAL C C 57 177.845 177.845 178.761 -0.916 19201 5662 1 15 . 1 1 57 57 VAL CA C 57 67.388 67.388 66.044 1.344 19201 5663 1 15 . 1 1 57 57 VAL CB C 57 31.749 31.749 30.642 1.107 19201 5664 1 15 . 1 1 57 57 VAL H H 57 8.131 8.131 8.157 -0.026 19201 5665 1 15 . 1 1 58 58 GLN N N 58 115.274 115.274 118.684 -3.410 19201 5666 1 15 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.231 -0.233 19201 5667 1 15 . 1 1 58 58 GLN C C 58 178.690 178.690 178.542 0.148 19201 5668 1 15 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.681 -0.730 19201 5669 1 15 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.120 0.140 19201 5670 1 15 . 1 1 58 58 GLN H H 58 7.745 7.745 8.672 -0.927 19201 5671 1 15 . 1 1 59 59 THR N N 59 112.271 112.271 111.784 0.487 19201 5672 1 15 . 1 1 59 59 THR HA H 59 4.078 4.078 4.040 0.038 19201 5673 1 15 . 1 1 59 59 THR C C 59 176.280 176.280 176.730 -0.450 19201 5674 1 15 . 1 1 59 59 THR CA C 59 65.185 65.185 65.897 -0.712 19201 5675 1 15 . 1 1 59 59 THR CB C 59 69.186 69.186 68.516 0.670 19201 5676 1 15 . 1 1 59 59 THR H H 59 7.658 7.658 7.779 -0.121 19201 5677 1 15 . 1 1 60 60 HIS N N 60 117.387 117.387 119.749 -2.362 19201 5678 1 15 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.296 0.066 19201 5679 1 15 . 1 1 60 60 HIS C C 60 175.307 175.307 176.084 -0.777 19201 5680 1 15 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.548 -1.493 19201 5681 1 15 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.822 -1.636 19201 5682 1 15 . 1 1 60 60 HIS H H 60 7.226 7.226 7.888 -0.662 19201 5683 1 15 . 1 1 61 61 PHE N N 61 118.105 118.105 116.768 1.337 19201 5684 1 15 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.566 0.081 19201 5685 1 15 . 1 1 61 61 PHE C C 61 175.798 175.798 176.590 -0.792 19201 5686 1 15 . 1 1 61 61 PHE CA C 61 57.751 57.751 59.224 -1.473 19201 5687 1 15 . 1 1 61 61 PHE CB C 61 39.569 39.569 40.102 -0.533 19201 5688 1 15 . 1 1 61 61 PHE H H 61 7.601 7.601 7.753 -0.152 19201 5689 1 15 . 1 1 62 62 ASP N N 62 120.979 120.979 118.022 2.957 19201 5690 1 15 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.568 0.009 19201 5691 1 15 . 1 1 62 62 ASP C C 62 176.531 176.531 177.200 -0.669 19201 5692 1 15 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.415 -1.527 19201 5693 1 15 . 1 1 62 62 ASP CB C 62 41.210 41.210 42.586 -1.376 19201 5694 1 15 . 1 1 62 62 ASP H H 62 8.021 8.021 8.318 -0.297 19201 5695 1 15 . 1 1 63 63 GLN N N 63 120.043 120.043 118.337 1.706 19201 5696 1 15 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.886 0.385 19201 5697 1 15 . 1 1 63 63 GLN C C 63 175.955 175.955 175.715 0.240 19201 5698 1 15 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.534 -1.387 19201 5699 1 15 . 1 1 63 63 GLN CB C 63 29.184 29.184 27.226 1.958 19201 5700 1 15 . 1 1 63 63 GLN H H 63 8.274 8.274 8.427 -0.153 19201 5701 1 15 . 1 1 64 64 ASN N N 64 119.150 119.150 115.860 3.290 19201 5702 1 15 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.416 0.252 19201 5703 1 15 . 1 1 64 64 ASN C C 64 175.159 175.159 174.488 0.671 19201 5704 1 15 . 1 1 64 64 ASN CA C 64 53.645 53.645 53.992 -0.347 19201 5705 1 15 . 1 1 64 64 ASN CB C 64 38.855 38.855 37.771 1.084 19201 5706 1 15 . 1 1 64 64 ASN H H 64 8.406 8.406 8.387 0.019 19201 5707 1 15 . 1 1 65 65 VAL N N 65 119.684 119.684 117.239 2.445 19201 5708 1 15 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.656 0.383 19201 5709 1 15 . 1 1 65 65 VAL C C 65 175.835 175.835 175.247 0.588 19201 5710 1 15 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.501 -0.978 19201 5711 1 15 . 1 1 65 65 VAL CB C 65 32.584 32.584 29.884 2.700 19201 5712 1 15 . 1 1 65 65 VAL H H 65 7.904 7.904 7.982 -0.078 19201 5713 1 15 . 1 1 66 66 LEU N N 66 124.819 124.819 120.614 4.205 19201 5714 1 15 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.029 0.238 19201 5715 1 15 . 1 1 66 66 LEU C C 66 176.316 176.316 176.074 0.242 19201 5716 1 15 . 1 1 66 66 LEU CA C 66 54.899 54.899 55.680 -0.781 19201 5717 1 15 . 1 1 66 66 LEU CB C 66 42.404 42.404 41.576 0.828 19201 5718 1 15 . 1 1 66 66 LEU H H 66 8.115 8.115 8.090 0.025 19201 5719 1 15 . 1 1 67 67 ASN N N 67 119.012 119.012 116.686 2.326 19201 5720 1 15 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.532 0.103 19201 5721 1 15 . 1 1 67 67 ASN C C 67 174.316 174.316 175.308 -0.992 19201 5722 1 15 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.605 -0.641 19201 5723 1 15 . 1 1 67 67 ASN CB C 67 39.576 39.576 38.717 0.859 19201 5724 1 15 . 1 1 67 67 ASN H H 67 8.057 8.057 8.792 -0.735 19201 5725 1 15 . 1 1 68 68 PHE N N 68 121.187 121.187 120.128 1.059 19201 5726 1 15 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.761 -0.107 19201 5727 1 15 . 1 1 68 68 PHE C C 68 174.610 174.610 176.298 -1.688 19201 5728 1 15 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.572 -1.175 19201 5729 1 15 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.108 0.616 19201 5730 1 15 . 1 1 68 68 PHE H H 68 8.208 8.208 8.394 -0.186 19201 5731 1 16 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.370 0.061 19201 5732 1 16 . 1 1 2 2 PRO C C 2 176.542 176.542 176.443 0.099 19201 5733 1 16 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.688 -0.720 19201 5734 1 16 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.161 0.138 19201 5735 1 16 . 1 1 3 3 HIS N N 3 119.528 119.528 120.075 -0.547 19201 5736 1 16 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.627 0.016 19201 5737 1 16 . 1 1 3 3 HIS C C 3 174.598 174.598 174.028 0.570 19201 5738 1 16 . 1 1 3 3 HIS CA C 3 55.726 55.726 55.970 -0.244 19201 5739 1 16 . 1 1 3 3 HIS CB C 3 29.495 29.495 29.529 -0.034 19201 5740 1 16 . 1 1 3 3 HIS H H 3 8.651 8.651 8.130 0.521 19201 5741 1 16 . 1 1 4 4 MET N N 4 122.541 122.541 128.816 -6.275 19201 5742 1 16 . 1 1 4 4 MET HA H 4 4.474 4.474 4.279 0.195 19201 5743 1 16 . 1 1 4 4 MET C C 4 175.419 175.419 173.432 1.987 19201 5744 1 16 . 1 1 4 4 MET CA C 4 55.207 55.207 54.992 0.215 19201 5745 1 16 . 1 1 4 4 MET CB C 4 33.158 33.158 34.202 -1.044 19201 5746 1 16 . 1 1 4 4 MET H H 4 8.403 8.403 8.349 0.054 19201 5747 1 16 . 1 1 5 5 ASP N N 5 122.333 122.333 123.550 -1.217 19201 5748 1 16 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.584 0.041 19201 5749 1 16 . 1 1 5 5 ASP C C 5 175.734 175.734 173.771 1.963 19201 5750 1 16 . 1 1 5 5 ASP CA C 5 54.259 54.259 53.756 0.503 19201 5751 1 16 . 1 1 5 5 ASP CB C 5 41.323 41.323 43.911 -2.588 19201 5752 1 16 . 1 1 5 5 ASP H H 5 8.513 8.513 8.111 0.402 19201 5753 1 16 . 1 1 6 6 VAL N N 6 118.762 118.762 120.318 -1.556 19201 5754 1 16 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.164 -0.019 19201 5755 1 16 . 1 1 6 6 VAL C C 6 175.686 175.686 174.174 1.512 19201 5756 1 16 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.559 0.296 19201 5757 1 16 . 1 1 6 6 VAL CB C 6 32.997 32.997 31.964 1.033 19201 5758 1 16 . 1 1 6 6 VAL H H 6 8.011 8.011 7.642 0.369 19201 5759 1 16 . 1 1 7 7 HIS N N 7 121.430 121.430 119.239 2.191 19201 5760 1 16 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.678 -0.179 19201 5761 1 16 . 1 1 7 7 HIS C C 7 174.456 174.456 175.992 -1.536 19201 5762 1 16 . 1 1 7 7 HIS CA C 7 56.097 56.097 57.355 -1.258 19201 5763 1 16 . 1 1 7 7 HIS CB C 7 30.624 30.624 31.209 -0.585 19201 5764 1 16 . 1 1 7 7 HIS H H 7 8.323 8.323 8.804 -0.481 19201 5765 1 16 . 1 1 8 8 LYS N N 8 122.591 122.591 120.834 1.757 19201 5766 1 16 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.643 -0.322 19201 5767 1 16 . 1 1 8 8 LYS C C 8 174.443 174.443 174.942 -0.499 19201 5768 1 16 . 1 1 8 8 LYS CA C 8 55.896 55.896 54.780 1.116 19201 5769 1 16 . 1 1 8 8 LYS CB C 8 33.984 33.984 31.567 2.417 19201 5770 1 16 . 1 1 8 8 LYS H H 8 8.515 8.515 8.331 0.184 19201 5771 1 16 . 1 1 9 9 LYS N N 9 124.787 124.787 121.024 3.763 19201 5772 1 16 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.325 -0.147 19201 5773 1 16 . 1 1 9 9 LYS C C 9 176.374 176.374 176.640 -0.266 19201 5774 1 16 . 1 1 9 9 LYS CA C 9 54.570 54.570 53.574 0.996 19201 5775 1 16 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.819 0.668 19201 5776 1 16 . 1 1 9 9 LYS H H 9 8.383 8.383 8.140 0.243 19201 5777 1 16 . 1 1 10 10 CYS N N 10 129.698 129.698 124.937 4.761 19201 5778 1 16 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.618 0.198 19201 5779 1 16 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.390 0.570 19201 5780 1 16 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.904 2.827 19201 5781 1 16 . 1 1 10 10 CYS H H 10 8.999 8.999 8.553 0.446 19201 5782 1 16 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.318 0.264 19201 5783 1 16 . 1 1 11 11 PRO C C 11 177.219 177.219 176.180 1.039 19201 5784 1 16 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.094 -0.893 19201 5785 1 16 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.583 0.738 19201 5786 1 16 . 1 1 12 12 LEU N N 12 121.846 121.846 117.762 4.084 19201 5787 1 16 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.436 -0.030 19201 5788 1 16 . 1 1 12 12 LEU C C 12 176.492 176.492 178.359 -1.867 19201 5789 1 16 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.890 -0.746 19201 5790 1 16 . 1 1 12 12 LEU CB C 12 43.242 43.242 40.915 2.327 19201 5791 1 16 . 1 1 12 12 LEU H H 12 9.347 9.347 7.889 1.458 19201 5792 1 16 . 1 1 13 13 CYS N N 13 119.509 119.509 112.934 6.575 19201 5793 1 16 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.648 0.293 19201 5794 1 16 . 1 1 13 13 CYS C C 13 173.792 173.792 175.308 -1.516 19201 5795 1 16 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.280 0.261 19201 5796 1 16 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.561 1.328 19201 5797 1 16 . 1 1 13 13 CYS H H 13 7.879 7.879 7.503 0.376 19201 5798 1 16 . 1 1 14 14 GLU N N 14 114.443 114.443 117.471 -3.028 19201 5799 1 16 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.007 0.157 19201 5800 1 16 . 1 1 14 14 GLU C C 14 175.831 175.831 175.115 0.716 19201 5801 1 16 . 1 1 14 14 GLU CA C 14 57.399 57.399 56.589 0.810 19201 5802 1 16 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.800 1.937 19201 5803 1 16 . 1 1 14 14 GLU H H 14 8.112 8.112 8.195 -0.083 19201 5804 1 16 . 1 1 15 15 LEU N N 15 124.338 124.338 119.585 4.753 19201 5805 1 16 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.144 -0.276 19201 5806 1 16 . 1 1 15 15 LEU C C 15 174.900 174.900 175.745 -0.845 19201 5807 1 16 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.800 1.305 19201 5808 1 16 . 1 1 15 15 LEU CB C 15 43.170 43.170 42.862 0.308 19201 5809 1 16 . 1 1 15 15 LEU H H 15 8.403 8.403 7.329 1.074 19201 5810 1 16 . 1 1 16 16 MET N N 16 121.138 121.138 125.037 -3.899 19201 5811 1 16 . 1 1 16 16 MET HA H 16 4.964 4.964 4.896 0.068 19201 5812 1 16 . 1 1 16 16 MET C C 16 175.457 175.457 175.277 0.180 19201 5813 1 16 . 1 1 16 16 MET CA C 16 53.699 53.699 55.355 -1.656 19201 5814 1 16 . 1 1 16 16 MET CB C 16 34.779 34.779 33.443 1.336 19201 5815 1 16 . 1 1 16 16 MET H H 16 7.738 7.738 8.217 -0.479 19201 5816 1 16 . 1 1 17 17 PHE N N 17 122.417 122.417 128.189 -5.772 19201 5817 1 16 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.917 -0.383 19201 5818 1 16 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.713 -0.143 19201 5819 1 16 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.280 0.521 19201 5820 1 16 . 1 1 17 17 PHE H H 17 8.868 8.868 8.687 0.181 19201 5821 1 16 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.921 -0.364 19201 5822 1 16 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.985 0.611 19201 5823 1 16 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.738 -0.673 19201 5824 1 16 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.441 -0.220 19201 5825 1 16 . 1 1 19 19 PRO C C 19 176.899 176.899 176.122 0.777 19201 5826 1 16 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.800 0.373 19201 5827 1 16 . 1 1 19 19 PRO CB C 19 31.830 31.830 31.749 0.081 19201 5828 1 16 . 1 1 20 20 ASN N N 20 113.731 113.731 115.895 -2.164 19201 5829 1 16 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.756 -0.195 19201 5830 1 16 . 1 1 20 20 ASN C C 20 174.737 174.737 175.084 -0.347 19201 5831 1 16 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.731 0.153 19201 5832 1 16 . 1 1 20 20 ASN CB C 20 37.271 37.271 38.633 -1.362 19201 5833 1 16 . 1 1 20 20 ASN H H 20 8.330 8.330 8.090 0.240 19201 5834 1 16 . 1 1 21 21 TYR N N 21 121.548 121.548 120.744 0.804 19201 5835 1 16 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.621 -0.417 19201 5836 1 16 . 1 1 21 21 TYR C C 21 174.916 174.916 174.935 -0.019 19201 5837 1 16 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.171 1.770 19201 5838 1 16 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.240 0.214 19201 5839 1 16 . 1 1 21 21 TYR H H 21 7.666 7.666 7.687 -0.021 19201 5840 1 16 . 1 1 22 22 ASP N N 22 126.191 126.191 121.564 4.627 19201 5841 1 16 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.650 -0.386 19201 5842 1 16 . 1 1 22 22 ASP C C 22 176.536 176.536 176.956 -0.420 19201 5843 1 16 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.757 2.170 19201 5844 1 16 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.320 -0.993 19201 5845 1 16 . 1 1 22 22 ASP H H 22 7.832 7.832 8.438 -0.606 19201 5846 1 16 . 1 1 23 23 GLN N N 23 127.794 127.794 124.106 3.688 19201 5847 1 16 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.129 -0.139 19201 5848 1 16 . 1 1 23 23 GLN C C 23 178.011 178.011 178.079 -0.068 19201 5849 1 16 . 1 1 23 23 GLN CA C 23 58.955 58.955 58.985 -0.030 19201 5850 1 16 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.593 -0.611 19201 5851 1 16 . 1 1 23 23 GLN H H 23 8.891 8.891 8.825 0.066 19201 5852 1 16 . 1 1 24 24 SER N N 24 115.542 115.542 114.362 1.180 19201 5853 1 16 . 1 1 24 24 SER HA H 24 4.298 4.298 4.337 -0.039 19201 5854 1 16 . 1 1 24 24 SER C C 24 177.419 177.419 176.283 1.136 19201 5855 1 16 . 1 1 24 24 SER CA C 24 61.975 61.975 60.947 1.028 19201 5856 1 16 . 1 1 24 24 SER CB C 24 61.975 61.975 62.877 -0.902 19201 5857 1 16 . 1 1 24 24 SER H H 24 8.479 8.479 8.665 -0.186 19201 5858 1 16 . 1 1 25 25 LYS N N 25 123.099 123.099 122.527 0.572 19201 5859 1 16 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.283 -0.104 19201 5860 1 16 . 1 1 25 25 LYS C C 25 180.064 180.064 179.215 0.849 19201 5861 1 16 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.758 -0.453 19201 5862 1 16 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.860 -0.189 19201 5863 1 16 . 1 1 25 25 LYS H H 25 7.734 7.734 7.619 0.115 19201 5864 1 16 . 1 1 26 26 PHE N N 26 123.746 123.746 119.871 3.875 19201 5865 1 16 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.787 0.063 19201 5866 1 16 . 1 1 26 26 PHE C C 26 176.469 176.469 176.836 -0.367 19201 5867 1 16 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.508 0.251 19201 5868 1 16 . 1 1 26 26 PHE CB C 26 39.163 39.163 39.124 0.039 19201 5869 1 16 . 1 1 26 26 PHE H H 26 8.414 8.414 8.540 -0.126 19201 5870 1 16 . 1 1 27 27 GLU N N 27 118.957 118.957 118.640 0.317 19201 5871 1 16 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.845 -0.104 19201 5872 1 16 . 1 1 27 27 GLU C C 27 178.777 178.777 178.817 -0.040 19201 5873 1 16 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.309 0.308 19201 5874 1 16 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.415 -0.733 19201 5875 1 16 . 1 1 27 27 GLU H H 27 8.497 8.497 7.980 0.517 19201 5876 1 16 . 1 1 28 28 GLU N N 28 118.812 118.812 119.375 -0.563 19201 5877 1 16 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.128 -0.207 19201 5878 1 16 . 1 1 28 28 GLU C C 28 179.241 179.241 178.583 0.658 19201 5879 1 16 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.910 0.335 19201 5880 1 16 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.450 0.309 19201 5881 1 16 . 1 1 28 28 GLU H H 28 7.967 7.967 8.614 -0.647 19201 5882 1 16 . 1 1 29 29 HIS N N 29 118.117 118.117 119.720 -1.603 19201 5883 1 16 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.424 -0.281 19201 5884 1 16 . 1 1 29 29 HIS C C 29 178.484 178.484 177.442 1.042 19201 5885 1 16 . 1 1 29 29 HIS CA C 29 60.355 60.355 59.066 1.289 19201 5886 1 16 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.093 -3.033 19201 5887 1 16 . 1 1 29 29 HIS H H 29 7.791 7.791 7.539 0.252 19201 5888 1 16 . 1 1 30 30 VAL N N 30 122.416 122.416 120.432 1.984 19201 5889 1 16 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.432 -0.024 19201 5890 1 16 . 1 1 30 30 VAL C C 30 178.303 178.303 177.435 0.868 19201 5891 1 16 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.203 1.672 19201 5892 1 16 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.447 0.320 19201 5893 1 16 . 1 1 30 30 VAL H H 30 8.202 8.202 7.741 0.461 19201 5894 1 16 . 1 1 31 31 GLU N N 31 115.746 115.746 119.082 -3.336 19201 5895 1 16 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.675 1.050 19201 5896 1 16 . 1 1 31 31 GLU C C 31 178.071 178.071 178.065 0.006 19201 5897 1 16 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.212 -0.184 19201 5898 1 16 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.924 -0.153 19201 5899 1 16 . 1 1 31 31 GLU H H 31 7.969 7.969 8.229 -0.260 19201 5900 1 16 . 1 1 32 32 SER N N 32 115.845 115.845 113.571 2.274 19201 5901 1 16 . 1 1 32 32 SER HA H 32 4.223 4.223 4.161 0.062 19201 5902 1 16 . 1 1 32 32 SER C C 32 174.855 174.855 175.150 -0.295 19201 5903 1 16 . 1 1 32 32 SER CA C 32 60.645 60.645 61.252 -0.606 19201 5904 1 16 . 1 1 32 32 SER CB C 32 62.815 62.815 63.112 -0.297 19201 5905 1 16 . 1 1 32 32 SER H H 32 7.584 7.584 7.383 0.201 19201 5906 1 16 . 1 1 33 33 HIS N N 33 118.635 118.635 117.828 0.807 19201 5907 1 16 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.418 0.031 19201 5908 1 16 . 1 1 33 33 HIS C C 33 175.524 175.524 175.853 -0.329 19201 5909 1 16 . 1 1 33 33 HIS CA C 33 57.026 57.026 57.576 -0.550 19201 5910 1 16 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.456 -1.153 19201 5911 1 16 . 1 1 33 33 HIS H H 33 7.286 7.286 7.422 -0.136 19201 5912 1 16 . 1 1 34 34 TRP N N 34 121.219 121.219 121.158 0.061 19201 5913 1 16 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.803 -0.467 19201 5914 1 16 . 1 1 34 34 TRP C C 34 175.644 175.644 176.711 -1.067 19201 5915 1 16 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.933 2.391 19201 5916 1 16 . 1 1 34 34 TRP CB C 34 29.262 29.262 27.686 1.576 19201 5917 1 16 . 1 1 34 34 TRP H H 34 7.949 7.949 7.545 0.404 19201 5918 1 16 . 1 1 35 35 LYS N N 35 122.872 122.872 123.654 -0.782 19201 5919 1 16 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.202 0.138 19201 5920 1 16 . 1 1 35 35 LYS C C 35 175.286 175.286 176.540 -1.254 19201 5921 1 16 . 1 1 35 35 LYS CA C 35 55.606 55.606 55.794 -0.188 19201 5922 1 16 . 1 1 35 35 LYS CB C 35 33.385 33.385 32.090 1.295 19201 5923 1 16 . 1 1 35 35 LYS H H 35 8.581 8.581 8.462 0.119 19201 5924 1 16 . 1 1 36 36 VAL N N 36 122.386 122.386 125.149 -2.763 19201 5925 1 16 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.905 0.026 19201 5926 1 16 . 1 1 36 36 VAL C C 36 176.320 176.320 176.049 0.271 19201 5927 1 16 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.300 0.055 19201 5928 1 16 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.626 0.981 19201 5929 1 16 . 1 1 36 36 VAL H H 36 8.313 8.313 8.308 0.005 19201 5930 1 16 . 1 1 37 37 CYS N N 37 130.378 130.378 129.107 1.271 19201 5931 1 16 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.263 -0.359 19201 5932 1 16 . 1 1 37 37 CYS CA C 37 57.460 57.460 55.858 1.602 19201 5933 1 16 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.322 2.316 19201 5934 1 16 . 1 1 37 37 CYS H H 37 9.165 9.165 9.092 0.073 19201 5935 1 16 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.348 0.235 19201 5936 1 16 . 1 1 38 38 PRO C C 38 176.933 176.933 177.714 -0.781 19201 5937 1 16 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.834 -1.614 19201 5938 1 16 . 1 1 38 38 PRO CB C 38 32.315 32.315 32.159 0.156 19201 5939 1 16 . 1 1 39 39 MET N N 39 119.180 119.180 115.255 3.925 19201 5940 1 16 . 1 1 39 39 MET HA H 39 4.534 4.534 4.472 0.062 19201 5941 1 16 . 1 1 39 39 MET C C 39 176.454 176.454 177.271 -0.817 19201 5942 1 16 . 1 1 39 39 MET CA C 39 55.971 55.971 57.173 -1.202 19201 5943 1 16 . 1 1 39 39 MET CB C 39 32.539 32.539 32.927 -0.388 19201 5944 1 16 . 1 1 39 39 MET H H 39 9.054 9.054 8.102 0.952 19201 5945 1 16 . 1 1 40 40 CYS N N 40 118.414 118.414 116.517 1.897 19201 5946 1 16 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.572 0.451 19201 5947 1 16 . 1 1 40 40 CYS C C 40 175.288 175.288 175.626 -0.338 19201 5948 1 16 . 1 1 40 40 CYS CA C 40 58.570 58.570 59.080 -0.510 19201 5949 1 16 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.494 3.207 19201 5950 1 16 . 1 1 40 40 CYS H H 40 8.096 8.096 8.122 -0.026 19201 5951 1 16 . 1 1 41 41 SER N N 41 113.638 113.638 113.791 -0.153 19201 5952 1 16 . 1 1 41 41 SER HA H 41 4.291 4.291 4.335 -0.044 19201 5953 1 16 . 1 1 41 41 SER C C 41 173.193 173.193 173.082 0.111 19201 5954 1 16 . 1 1 41 41 SER CA C 41 60.401 60.401 59.998 0.403 19201 5955 1 16 . 1 1 41 41 SER CB C 41 62.177 62.177 61.760 0.417 19201 5956 1 16 . 1 1 41 41 SER H H 41 7.916 7.916 8.646 -0.730 19201 5957 1 16 . 1 1 42 42 GLU N N 42 124.849 124.849 119.407 5.442 19201 5958 1 16 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.592 -0.673 19201 5959 1 16 . 1 1 42 42 GLU C C 42 174.373 174.373 175.191 -0.818 19201 5960 1 16 . 1 1 42 42 GLU CA C 42 58.350 58.350 54.827 3.523 19201 5961 1 16 . 1 1 42 42 GLU CB C 42 29.652 29.652 32.160 -2.508 19201 5962 1 16 . 1 1 42 42 GLU H H 42 8.483 8.483 8.174 0.309 19201 5963 1 16 . 1 1 43 43 GLN N N 43 122.061 122.061 122.163 -0.102 19201 5964 1 16 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.634 0.408 19201 5965 1 16 . 1 1 43 43 GLN C C 43 175.251 175.251 175.288 -0.037 19201 5966 1 16 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.602 -1.208 19201 5967 1 16 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.192 1.030 19201 5968 1 16 . 1 1 43 43 GLN H H 43 8.047 8.047 8.700 -0.653 19201 5969 1 16 . 1 1 44 44 PHE N N 44 122.827 122.827 124.920 -2.093 19201 5970 1 16 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.782 -0.104 19201 5971 1 16 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.910 -0.916 19201 5972 1 16 . 1 1 44 44 PHE CB C 44 39.908 39.908 41.013 -1.105 19201 5973 1 16 . 1 1 44 44 PHE H H 44 9.312 9.312 9.170 0.142 19201 5974 1 16 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.264 -0.733 19201 5975 1 16 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.771 -0.560 19201 5976 1 16 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.501 -0.612 19201 5977 1 16 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.435 -0.271 19201 5978 1 16 . 1 1 46 46 PRO C C 46 176.621 176.621 177.176 -0.555 19201 5979 1 16 . 1 1 46 46 PRO CA C 46 64.451 64.451 64.892 -0.441 19201 5980 1 16 . 1 1 46 46 PRO CB C 46 31.890 31.890 32.042 -0.152 19201 5981 1 16 . 1 1 47 47 ASP N N 47 113.411 113.411 115.264 -1.853 19201 5982 1 16 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.511 -0.035 19201 5983 1 16 . 1 1 47 47 ASP C C 47 175.831 175.831 175.956 -0.125 19201 5984 1 16 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.831 -1.948 19201 5985 1 16 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.876 -1.325 19201 5986 1 16 . 1 1 47 47 ASP H H 47 8.028 8.028 8.331 -0.303 19201 5987 1 16 . 1 1 48 48 TYR N N 48 122.527 122.527 121.160 1.367 19201 5988 1 16 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.506 -0.303 19201 5989 1 16 . 1 1 48 48 TYR C C 48 175.189 175.189 174.830 0.359 19201 5990 1 16 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.198 0.611 19201 5991 1 16 . 1 1 48 48 TYR CB C 48 39.307 39.307 38.913 0.394 19201 5992 1 16 . 1 1 48 48 TYR H H 48 7.812 7.812 8.053 -0.241 19201 5993 1 16 . 1 1 49 49 ASP N N 49 125.426 125.426 126.555 -1.129 19201 5994 1 16 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.543 -0.234 19201 5995 1 16 . 1 1 49 49 ASP C C 49 176.996 176.996 177.224 -0.228 19201 5996 1 16 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.914 -0.037 19201 5997 1 16 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.242 -0.938 19201 5998 1 16 . 1 1 49 49 ASP H H 49 8.012 8.012 8.158 -0.146 19201 5999 1 16 . 1 1 50 50 GLN N N 50 126.958 126.958 122.694 4.264 19201 6000 1 16 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.052 -0.063 19201 6001 1 16 . 1 1 50 50 GLN C C 50 177.779 177.779 178.328 -0.549 19201 6002 1 16 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.907 -0.989 19201 6003 1 16 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.989 -0.731 19201 6004 1 16 . 1 1 50 50 GLN H H 50 8.873 8.873 8.899 -0.026 19201 6005 1 16 . 1 1 51 51 GLN N N 51 117.767 117.767 118.025 -0.258 19201 6006 1 16 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.171 -0.018 19201 6007 1 16 . 1 1 51 51 GLN C C 51 179.003 179.003 178.258 0.745 19201 6008 1 16 . 1 1 51 51 GLN CA C 51 59.130 59.130 59.026 0.104 19201 6009 1 16 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.231 0.139 19201 6010 1 16 . 1 1 51 51 GLN H H 51 8.425 8.425 8.863 -0.438 19201 6011 1 16 . 1 1 52 52 VAL N N 52 122.144 122.144 120.565 1.579 19201 6012 1 16 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.782 -0.219 19201 6013 1 16 . 1 1 52 52 VAL C C 52 179.252 179.252 177.928 1.324 19201 6014 1 16 . 1 1 52 52 VAL CA C 52 66.530 66.530 66.030 0.500 19201 6015 1 16 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.352 0.263 19201 6016 1 16 . 1 1 52 52 VAL H H 52 7.864 7.864 7.474 0.390 19201 6017 1 16 . 1 1 53 53 PHE N N 53 122.104 122.104 122.077 0.027 19201 6018 1 16 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.166 -0.390 19201 6019 1 16 . 1 1 53 53 PHE C C 53 176.497 176.497 176.797 -0.300 19201 6020 1 16 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.723 -0.206 19201 6021 1 16 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.253 -0.150 19201 6022 1 16 . 1 1 53 53 PHE H H 53 8.291 8.291 8.738 -0.447 19201 6023 1 16 . 1 1 54 54 GLU N N 54 118.755 118.755 119.168 -0.413 19201 6024 1 16 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.829 -0.139 19201 6025 1 16 . 1 1 54 54 GLU C C 54 179.450 179.450 179.277 0.173 19201 6026 1 16 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.907 -0.061 19201 6027 1 16 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.834 0.127 19201 6028 1 16 . 1 1 54 54 GLU H H 54 8.613 8.613 8.632 -0.019 19201 6029 1 16 . 1 1 55 55 ARG N N 55 119.023 119.023 118.570 0.453 19201 6030 1 16 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.078 -0.071 19201 6031 1 16 . 1 1 55 55 ARG C C 55 178.908 178.908 178.835 0.073 19201 6032 1 16 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.452 0.698 19201 6033 1 16 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.841 0.005 19201 6034 1 16 . 1 1 55 55 ARG H H 55 8.006 8.006 7.789 0.217 19201 6035 1 16 . 1 1 56 56 HIS N N 56 119.517 119.517 119.722 -0.205 19201 6036 1 16 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.336 -0.224 19201 6037 1 16 . 1 1 56 56 HIS C C 56 178.078 178.078 177.903 0.175 19201 6038 1 16 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.195 1.162 19201 6039 1 16 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.283 -2.466 19201 6040 1 16 . 1 1 56 56 HIS H H 56 7.921 7.921 7.938 -0.017 19201 6041 1 16 . 1 1 57 57 VAL N N 57 121.280 121.280 120.752 0.528 19201 6042 1 16 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.534 -0.090 19201 6043 1 16 . 1 1 57 57 VAL C C 57 177.845 177.845 178.249 -0.404 19201 6044 1 16 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.719 1.669 19201 6045 1 16 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.330 0.419 19201 6046 1 16 . 1 1 57 57 VAL H H 57 8.131 8.131 8.270 -0.139 19201 6047 1 16 . 1 1 58 58 GLN N N 58 115.274 115.274 116.196 -0.922 19201 6048 1 16 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.038 -0.040 19201 6049 1 16 . 1 1 58 58 GLN C C 58 178.690 178.690 178.518 0.172 19201 6050 1 16 . 1 1 58 58 GLN CA C 58 57.951 57.951 57.926 0.025 19201 6051 1 16 . 1 1 58 58 GLN CB C 58 28.260 28.260 27.950 0.310 19201 6052 1 16 . 1 1 58 58 GLN H H 58 7.745 7.745 8.106 -0.361 19201 6053 1 16 . 1 1 59 59 THR N N 59 112.271 112.271 113.187 -0.916 19201 6054 1 16 . 1 1 59 59 THR HA H 59 4.078 4.078 4.118 -0.040 19201 6055 1 16 . 1 1 59 59 THR C C 59 176.280 176.280 176.112 0.168 19201 6056 1 16 . 1 1 59 59 THR CA C 59 65.185 65.185 66.483 -1.298 19201 6057 1 16 . 1 1 59 59 THR CB C 59 69.186 69.186 68.808 0.378 19201 6058 1 16 . 1 1 59 59 THR H H 59 7.658 7.658 7.793 -0.135 19201 6059 1 16 . 1 1 60 60 HIS N N 60 117.387 117.387 119.010 -1.623 19201 6060 1 16 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.645 -0.283 19201 6061 1 16 . 1 1 60 60 HIS C C 60 175.307 175.307 176.785 -1.478 19201 6062 1 16 . 1 1 60 60 HIS CA C 60 57.055 57.055 57.189 -0.134 19201 6063 1 16 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.218 -1.032 19201 6064 1 16 . 1 1 60 60 HIS H H 60 7.226 7.226 7.705 -0.479 19201 6065 1 16 . 1 1 61 61 PHE N N 61 118.105 118.105 118.006 0.099 19201 6066 1 16 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.245 0.402 19201 6067 1 16 . 1 1 61 61 PHE C C 61 175.798 175.798 176.669 -0.871 19201 6068 1 16 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.210 -2.459 19201 6069 1 16 . 1 1 61 61 PHE CB C 61 39.569 39.569 38.963 0.606 19201 6070 1 16 . 1 1 61 61 PHE H H 61 7.601 7.601 7.687 -0.086 19201 6071 1 16 . 1 1 62 62 ASP N N 62 120.979 120.979 119.152 1.827 19201 6072 1 16 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.513 0.064 19201 6073 1 16 . 1 1 62 62 ASP C C 62 176.531 176.531 176.747 -0.216 19201 6074 1 16 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.345 -1.457 19201 6075 1 16 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.717 -0.507 19201 6076 1 16 . 1 1 62 62 ASP H H 62 8.021 8.021 7.565 0.456 19201 6077 1 16 . 1 1 63 63 GLN N N 63 120.043 120.043 114.906 5.137 19201 6078 1 16 . 1 1 63 63 GLN HA H 63 4.271 4.271 4.375 -0.104 19201 6079 1 16 . 1 1 63 63 GLN C C 63 175.955 175.955 174.675 1.280 19201 6080 1 16 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.229 -1.082 19201 6081 1 16 . 1 1 63 63 GLN CB C 63 29.184 29.184 31.498 -2.314 19201 6082 1 16 . 1 1 63 63 GLN H H 63 8.274 8.274 8.589 -0.315 19201 6083 1 16 . 1 1 64 64 ASN N N 64 119.150 119.150 112.211 6.939 19201 6084 1 16 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.798 -0.130 19201 6085 1 16 . 1 1 64 64 ASN C C 64 175.159 175.159 175.344 -0.185 19201 6086 1 16 . 1 1 64 64 ASN CA C 64 53.645 53.645 53.644 0.001 19201 6087 1 16 . 1 1 64 64 ASN CB C 64 38.855 38.855 39.402 -0.547 19201 6088 1 16 . 1 1 64 64 ASN H H 64 8.406 8.406 8.333 0.073 19201 6089 1 16 . 1 1 65 65 VAL N N 65 119.684 119.684 117.034 2.650 19201 6090 1 16 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.835 0.204 19201 6091 1 16 . 1 1 65 65 VAL C C 65 175.835 175.835 176.035 -0.200 19201 6092 1 16 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.860 -1.337 19201 6093 1 16 . 1 1 65 65 VAL CB C 65 32.584 32.584 29.836 2.748 19201 6094 1 16 . 1 1 65 65 VAL H H 65 7.904 7.904 8.129 -0.225 19201 6095 1 16 . 1 1 66 66 LEU N N 66 124.819 124.819 118.653 6.166 19201 6096 1 16 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.366 -0.099 19201 6097 1 16 . 1 1 66 66 LEU C C 66 176.316 176.316 177.288 -0.972 19201 6098 1 16 . 1 1 66 66 LEU CA C 66 54.899 54.899 55.856 -0.957 19201 6099 1 16 . 1 1 66 66 LEU CB C 66 42.404 42.404 42.627 -0.223 19201 6100 1 16 . 1 1 66 66 LEU H H 66 8.115 8.115 8.226 -0.111 19201 6101 1 16 . 1 1 67 67 ASN N N 67 119.012 119.012 119.008 0.004 19201 6102 1 16 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.892 -0.257 19201 6103 1 16 . 1 1 67 67 ASN C C 67 174.316 174.316 174.178 0.138 19201 6104 1 16 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.273 -0.309 19201 6105 1 16 . 1 1 67 67 ASN CB C 67 39.576 39.576 38.601 0.975 19201 6106 1 16 . 1 1 67 67 ASN H H 67 8.057 8.057 8.037 0.020 19201 6107 1 16 . 1 1 68 68 PHE N N 68 121.187 121.187 125.153 -3.966 19201 6108 1 16 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.782 -0.128 19201 6109 1 16 . 1 1 68 68 PHE C C 68 174.610 174.610 174.451 0.159 19201 6110 1 16 . 1 1 68 68 PHE CA C 68 57.397 57.397 57.846 -0.449 19201 6111 1 16 . 1 1 68 68 PHE CB C 68 39.724 39.724 40.195 -0.471 19201 6112 1 16 . 1 1 68 68 PHE H H 68 8.208 8.208 8.457 -0.249 19201 6113 1 17 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.116 0.315 19201 6114 1 17 . 1 1 2 2 PRO C C 2 176.542 176.542 176.478 0.064 19201 6115 1 17 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.624 -0.656 19201 6116 1 17 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.248 0.051 19201 6117 1 17 . 1 1 3 3 HIS N N 3 119.528 119.528 116.727 2.801 19201 6118 1 17 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.702 -0.059 19201 6119 1 17 . 1 1 3 3 HIS C C 3 174.598 174.598 174.535 0.063 19201 6120 1 17 . 1 1 3 3 HIS CA C 3 55.726 55.726 55.361 0.365 19201 6121 1 17 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.262 -0.767 19201 6122 1 17 . 1 1 3 3 HIS H H 3 8.651 8.651 8.204 0.447 19201 6123 1 17 . 1 1 4 4 MET N N 4 122.541 122.541 125.456 -2.915 19201 6124 1 17 . 1 1 4 4 MET HA H 4 4.474 4.474 4.532 -0.058 19201 6125 1 17 . 1 1 4 4 MET C C 4 175.419 175.419 174.684 0.735 19201 6126 1 17 . 1 1 4 4 MET CA C 4 55.207 55.207 53.530 1.677 19201 6127 1 17 . 1 1 4 4 MET CB C 4 33.158 33.158 31.765 1.393 19201 6128 1 17 . 1 1 4 4 MET H H 4 8.403 8.403 8.527 -0.124 19201 6129 1 17 . 1 1 5 5 ASP N N 5 122.333 122.333 123.514 -1.181 19201 6130 1 17 . 1 1 5 5 ASP HA H 5 4.625 4.625 5.563 -0.938 19201 6131 1 17 . 1 1 5 5 ASP C C 5 175.734 175.734 174.620 1.114 19201 6132 1 17 . 1 1 5 5 ASP CA C 5 54.259 54.259 52.765 1.494 19201 6133 1 17 . 1 1 5 5 ASP CB C 5 41.323 41.323 43.955 -2.632 19201 6134 1 17 . 1 1 5 5 ASP H H 5 8.513 8.513 7.960 0.553 19201 6135 1 17 . 1 1 6 6 VAL N N 6 118.762 118.762 119.550 -0.788 19201 6136 1 17 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.281 -0.136 19201 6137 1 17 . 1 1 6 6 VAL C C 6 175.686 175.686 174.948 0.738 19201 6138 1 17 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.327 0.528 19201 6139 1 17 . 1 1 6 6 VAL CB C 6 32.997 32.997 31.822 1.175 19201 6140 1 17 . 1 1 6 6 VAL H H 6 8.011 8.011 8.077 -0.066 19201 6141 1 17 . 1 1 7 7 HIS N N 7 121.430 121.430 115.849 5.581 19201 6142 1 17 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.350 0.149 19201 6143 1 17 . 1 1 7 7 HIS C C 7 174.456 174.456 174.202 0.254 19201 6144 1 17 . 1 1 7 7 HIS CA C 7 56.097 56.097 57.617 -1.520 19201 6145 1 17 . 1 1 7 7 HIS CB C 7 30.624 30.624 27.335 3.289 19201 6146 1 17 . 1 1 7 7 HIS H H 7 8.323 8.323 8.342 -0.019 19201 6147 1 17 . 1 1 8 8 LYS N N 8 122.591 122.591 119.472 3.119 19201 6148 1 17 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.575 -0.254 19201 6149 1 17 . 1 1 8 8 LYS C C 8 174.443 174.443 174.821 -0.378 19201 6150 1 17 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.096 0.800 19201 6151 1 17 . 1 1 8 8 LYS CB C 8 33.984 33.984 32.331 1.653 19201 6152 1 17 . 1 1 8 8 LYS H H 8 8.515 8.515 8.430 0.085 19201 6153 1 17 . 1 1 9 9 LYS N N 9 124.787 124.787 122.319 2.468 19201 6154 1 17 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.447 -0.269 19201 6155 1 17 . 1 1 9 9 LYS C C 9 176.374 176.374 176.467 -0.093 19201 6156 1 17 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.587 -0.017 19201 6157 1 17 . 1 1 9 9 LYS CB C 9 35.487 35.487 35.245 0.242 19201 6158 1 17 . 1 1 9 9 LYS H H 9 8.383 8.383 8.417 -0.034 19201 6159 1 17 . 1 1 10 10 CYS N N 10 129.698 129.698 125.324 4.374 19201 6160 1 17 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.749 0.067 19201 6161 1 17 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.896 0.064 19201 6162 1 17 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.026 3.705 19201 6163 1 17 . 1 1 10 10 CYS H H 10 8.999 8.999 8.879 0.120 19201 6164 1 17 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.345 0.237 19201 6165 1 17 . 1 1 11 11 PRO C C 11 177.219 177.219 176.260 0.959 19201 6166 1 17 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.400 -1.199 19201 6167 1 17 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.651 0.670 19201 6168 1 17 . 1 1 12 12 LEU N N 12 121.846 121.846 118.493 3.353 19201 6169 1 17 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.380 0.026 19201 6170 1 17 . 1 1 12 12 LEU C C 12 176.492 176.492 178.368 -1.876 19201 6171 1 17 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.865 -0.721 19201 6172 1 17 . 1 1 12 12 LEU CB C 12 43.242 43.242 40.828 2.414 19201 6173 1 17 . 1 1 12 12 LEU H H 12 9.347 9.347 7.767 1.580 19201 6174 1 17 . 1 1 13 13 CYS N N 13 119.509 119.509 112.657 6.852 19201 6175 1 17 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.595 0.346 19201 6176 1 17 . 1 1 13 13 CYS C C 13 173.792 173.792 175.350 -1.558 19201 6177 1 17 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.212 0.329 19201 6178 1 17 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.116 1.773 19201 6179 1 17 . 1 1 13 13 CYS H H 13 7.879 7.879 7.495 0.384 19201 6180 1 17 . 1 1 14 14 GLU N N 14 114.443 114.443 116.880 -2.437 19201 6181 1 17 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.154 0.010 19201 6182 1 17 . 1 1 14 14 GLU C C 14 175.831 175.831 175.972 -0.141 19201 6183 1 17 . 1 1 14 14 GLU CA C 14 57.399 57.399 56.890 0.509 19201 6184 1 17 . 1 1 14 14 GLU CB C 14 28.737 28.737 27.469 1.268 19201 6185 1 17 . 1 1 14 14 GLU H H 14 8.112 8.112 8.084 0.028 19201 6186 1 17 . 1 1 15 15 LEU N N 15 124.338 124.338 121.426 2.912 19201 6187 1 17 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.261 -0.393 19201 6188 1 17 . 1 1 15 15 LEU C C 15 174.900 174.900 176.487 -1.587 19201 6189 1 17 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.389 1.716 19201 6190 1 17 . 1 1 15 15 LEU CB C 15 43.170 43.170 43.178 -0.008 19201 6191 1 17 . 1 1 15 15 LEU H H 15 8.403 8.403 7.205 1.198 19201 6192 1 17 . 1 1 16 16 MET N N 16 121.138 121.138 123.349 -2.211 19201 6193 1 17 . 1 1 16 16 MET HA H 16 4.964 4.964 4.721 0.243 19201 6194 1 17 . 1 1 16 16 MET C C 16 175.457 175.457 175.734 -0.277 19201 6195 1 17 . 1 1 16 16 MET CA C 16 53.699 53.699 55.622 -1.923 19201 6196 1 17 . 1 1 16 16 MET CB C 16 34.779 34.779 33.976 0.803 19201 6197 1 17 . 1 1 16 16 MET H H 16 7.738 7.738 8.078 -0.340 19201 6198 1 17 . 1 1 17 17 PHE N N 17 122.417 122.417 123.339 -0.922 19201 6199 1 17 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.024 -0.490 19201 6200 1 17 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.658 -0.088 19201 6201 1 17 . 1 1 17 17 PHE CB C 17 39.801 39.801 40.228 -0.427 19201 6202 1 17 . 1 1 17 17 PHE H H 17 8.868 8.868 8.986 -0.118 19201 6203 1 17 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.969 -0.412 19201 6204 1 17 . 1 1 18 18 PRO CA C 18 61.596 61.596 61.160 0.436 19201 6205 1 17 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.684 -0.619 19201 6206 1 17 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.290 -0.069 19201 6207 1 17 . 1 1 19 19 PRO C C 19 176.899 176.899 176.623 0.276 19201 6208 1 17 . 1 1 19 19 PRO CA C 19 64.173 64.173 64.876 -0.703 19201 6209 1 17 . 1 1 19 19 PRO CB C 19 31.830 31.830 31.937 -0.107 19201 6210 1 17 . 1 1 20 20 ASN N N 20 113.731 113.731 113.400 0.331 19201 6211 1 17 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.586 -0.025 19201 6212 1 17 . 1 1 20 20 ASN C C 20 174.737 174.737 175.252 -0.515 19201 6213 1 17 . 1 1 20 20 ASN CA C 20 52.884 52.884 53.009 -0.125 19201 6214 1 17 . 1 1 20 20 ASN CB C 20 37.271 37.271 37.786 -0.515 19201 6215 1 17 . 1 1 20 20 ASN H H 20 8.330 8.330 8.088 0.242 19201 6216 1 17 . 1 1 21 21 TYR N N 21 121.548 121.548 119.716 1.832 19201 6217 1 17 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.562 -0.358 19201 6218 1 17 . 1 1 21 21 TYR C C 21 174.916 174.916 174.803 0.113 19201 6219 1 17 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.322 1.619 19201 6220 1 17 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.322 0.133 19201 6221 1 17 . 1 1 21 21 TYR H H 21 7.666 7.666 7.887 -0.221 19201 6222 1 17 . 1 1 22 22 ASP N N 22 126.191 126.191 121.855 4.336 19201 6223 1 17 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.624 -0.360 19201 6224 1 17 . 1 1 22 22 ASP C C 22 176.536 176.536 176.727 -0.191 19201 6225 1 17 . 1 1 22 22 ASP CA C 22 54.927 54.927 53.109 1.818 19201 6226 1 17 . 1 1 22 22 ASP CB C 22 42.327 42.327 42.850 -0.523 19201 6227 1 17 . 1 1 22 22 ASP H H 22 7.832 7.832 8.521 -0.689 19201 6228 1 17 . 1 1 23 23 GLN N N 23 127.794 127.794 123.644 4.150 19201 6229 1 17 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.132 -0.142 19201 6230 1 17 . 1 1 23 23 GLN C C 23 178.011 178.011 178.368 -0.357 19201 6231 1 17 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.199 -0.244 19201 6232 1 17 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.646 -0.664 19201 6233 1 17 . 1 1 23 23 GLN H H 23 8.891 8.891 8.850 0.041 19201 6234 1 17 . 1 1 24 24 SER N N 24 115.542 115.542 113.913 1.629 19201 6235 1 17 . 1 1 24 24 SER HA H 24 4.298 4.298 4.411 -0.113 19201 6236 1 17 . 1 1 24 24 SER C C 24 177.419 177.419 176.423 0.996 19201 6237 1 17 . 1 1 24 24 SER CA C 24 61.975 61.975 61.204 0.771 19201 6238 1 17 . 1 1 24 24 SER CB C 24 61.975 61.975 62.586 -0.611 19201 6239 1 17 . 1 1 24 24 SER H H 24 8.479 8.479 9.017 -0.538 19201 6240 1 17 . 1 1 25 25 LYS N N 25 123.099 123.099 122.821 0.278 19201 6241 1 17 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.221 -0.042 19201 6242 1 17 . 1 1 25 25 LYS C C 25 180.064 180.064 179.115 0.949 19201 6243 1 17 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.451 -0.146 19201 6244 1 17 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.069 -0.398 19201 6245 1 17 . 1 1 25 25 LYS H H 25 7.734 7.734 7.555 0.179 19201 6246 1 17 . 1 1 26 26 PHE N N 26 123.746 123.746 122.151 1.595 19201 6247 1 17 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.820 0.030 19201 6248 1 17 . 1 1 26 26 PHE C C 26 176.469 176.469 176.678 -0.209 19201 6249 1 17 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.385 0.374 19201 6250 1 17 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.918 0.245 19201 6251 1 17 . 1 1 26 26 PHE H H 26 8.414 8.414 8.532 -0.118 19201 6252 1 17 . 1 1 27 27 GLU N N 27 118.957 118.957 118.829 0.128 19201 6253 1 17 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.708 0.033 19201 6254 1 17 . 1 1 27 27 GLU C C 27 178.777 178.777 178.839 -0.062 19201 6255 1 17 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.717 -0.099 19201 6256 1 17 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.355 -0.673 19201 6257 1 17 . 1 1 27 27 GLU H H 27 8.497 8.497 8.033 0.464 19201 6258 1 17 . 1 1 28 28 GLU N N 28 118.812 118.812 118.610 0.202 19201 6259 1 17 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.008 -0.087 19201 6260 1 17 . 1 1 28 28 GLU C C 28 179.241 179.241 178.650 0.591 19201 6261 1 17 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.483 -0.238 19201 6262 1 17 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.139 0.620 19201 6263 1 17 . 1 1 28 28 GLU H H 28 7.967 7.967 8.513 -0.546 19201 6264 1 17 . 1 1 29 29 HIS N N 29 118.117 118.117 119.072 -0.955 19201 6265 1 17 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.376 -0.233 19201 6266 1 17 . 1 1 29 29 HIS C C 29 178.484 178.484 177.386 1.098 19201 6267 1 17 . 1 1 29 29 HIS CA C 29 60.355 60.355 59.308 1.047 19201 6268 1 17 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.040 -2.979 19201 6269 1 17 . 1 1 29 29 HIS H H 29 7.791 7.791 7.355 0.436 19201 6270 1 17 . 1 1 30 30 VAL N N 30 122.416 122.416 120.136 2.280 19201 6271 1 17 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.741 -0.333 19201 6272 1 17 . 1 1 30 30 VAL C C 30 178.303 178.303 178.170 0.133 19201 6273 1 17 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.032 1.843 19201 6274 1 17 . 1 1 30 30 VAL CB C 30 31.767 31.767 30.801 0.966 19201 6275 1 17 . 1 1 30 30 VAL H H 30 8.202 8.202 8.091 0.111 19201 6276 1 17 . 1 1 31 31 GLU N N 31 115.746 115.746 119.455 -3.709 19201 6277 1 17 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.587 0.138 19201 6278 1 17 . 1 1 31 31 GLU C C 31 178.071 178.071 178.297 -0.226 19201 6279 1 17 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.667 -0.640 19201 6280 1 17 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.693 0.078 19201 6281 1 17 . 1 1 31 31 GLU H H 31 7.969 7.969 8.392 -0.423 19201 6282 1 17 . 1 1 32 32 SER N N 32 115.845 115.845 112.358 3.487 19201 6283 1 17 . 1 1 32 32 SER HA H 32 4.223 4.223 4.245 -0.022 19201 6284 1 17 . 1 1 32 32 SER C C 32 174.855 174.855 175.105 -0.250 19201 6285 1 17 . 1 1 32 32 SER CA C 32 60.645 60.645 61.080 -0.435 19201 6286 1 17 . 1 1 32 32 SER CB C 32 62.815 62.815 63.330 -0.515 19201 6287 1 17 . 1 1 32 32 SER H H 32 7.584 7.584 7.338 0.246 19201 6288 1 17 . 1 1 33 33 HIS N N 33 118.635 118.635 118.959 -0.324 19201 6289 1 17 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.438 0.011 19201 6290 1 17 . 1 1 33 33 HIS C C 33 175.524 175.524 175.817 -0.293 19201 6291 1 17 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.061 -1.035 19201 6292 1 17 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.346 -1.044 19201 6293 1 17 . 1 1 33 33 HIS H H 33 7.286 7.286 7.477 -0.191 19201 6294 1 17 . 1 1 34 34 TRP N N 34 121.219 121.219 120.146 1.073 19201 6295 1 17 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.683 -0.347 19201 6296 1 17 . 1 1 34 34 TRP C C 34 175.644 175.644 176.738 -1.094 19201 6297 1 17 . 1 1 34 34 TRP CA C 34 58.324 58.324 57.350 0.974 19201 6298 1 17 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.905 0.357 19201 6299 1 17 . 1 1 34 34 TRP H H 34 7.949 7.949 7.640 0.309 19201 6300 1 17 . 1 1 35 35 LYS N N 35 122.872 122.872 124.461 -1.589 19201 6301 1 17 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.209 0.131 19201 6302 1 17 . 1 1 35 35 LYS C C 35 175.286 175.286 175.813 -0.527 19201 6303 1 17 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.491 1.115 19201 6304 1 17 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.012 2.373 19201 6305 1 17 . 1 1 35 35 LYS H H 35 8.581 8.581 8.784 -0.203 19201 6306 1 17 . 1 1 36 36 VAL N N 36 122.386 122.386 124.840 -2.454 19201 6307 1 17 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.724 0.207 19201 6308 1 17 . 1 1 36 36 VAL C C 36 176.320 176.320 175.907 0.413 19201 6309 1 17 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.241 0.114 19201 6310 1 17 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.798 0.809 19201 6311 1 17 . 1 1 36 36 VAL H H 36 8.313 8.313 8.347 -0.034 19201 6312 1 17 . 1 1 37 37 CYS N N 37 130.378 130.378 128.922 1.456 19201 6313 1 17 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.030 -0.126 19201 6314 1 17 . 1 1 37 37 CYS CA C 37 57.460 57.460 55.421 2.039 19201 6315 1 17 . 1 1 37 37 CYS CB C 37 30.638 30.638 27.838 2.800 19201 6316 1 17 . 1 1 37 37 CYS H H 37 9.165 9.165 9.080 0.085 19201 6317 1 17 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.477 0.106 19201 6318 1 17 . 1 1 38 38 PRO C C 38 176.933 176.933 176.388 0.545 19201 6319 1 17 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.099 -0.879 19201 6320 1 17 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.726 0.589 19201 6321 1 17 . 1 1 39 39 MET N N 39 119.180 119.180 113.954 5.226 19201 6322 1 17 . 1 1 39 39 MET HA H 39 4.534 4.534 4.595 -0.061 19201 6323 1 17 . 1 1 39 39 MET C C 39 176.454 176.454 175.683 0.771 19201 6324 1 17 . 1 1 39 39 MET CA C 39 55.971 55.971 55.752 0.219 19201 6325 1 17 . 1 1 39 39 MET CB C 39 32.539 32.539 33.591 -1.052 19201 6326 1 17 . 1 1 39 39 MET H H 39 9.054 9.054 7.532 1.522 19201 6327 1 17 . 1 1 40 40 CYS N N 40 118.414 118.414 117.102 1.312 19201 6328 1 17 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.613 0.410 19201 6329 1 17 . 1 1 40 40 CYS C C 40 175.288 175.288 175.187 0.101 19201 6330 1 17 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.607 -0.037 19201 6331 1 17 . 1 1 40 40 CYS CB C 40 31.701 31.701 29.399 2.302 19201 6332 1 17 . 1 1 40 40 CYS H H 40 8.096 8.096 7.809 0.287 19201 6333 1 17 . 1 1 41 41 SER N N 41 113.638 113.638 113.504 0.134 19201 6334 1 17 . 1 1 41 41 SER HA H 41 4.291 4.291 4.189 0.102 19201 6335 1 17 . 1 1 41 41 SER C C 41 173.193 173.193 173.185 0.008 19201 6336 1 17 . 1 1 41 41 SER CA C 41 60.401 60.401 59.700 0.701 19201 6337 1 17 . 1 1 41 41 SER CB C 41 62.177 62.177 61.990 0.187 19201 6338 1 17 . 1 1 41 41 SER H H 41 7.916 7.916 8.628 -0.712 19201 6339 1 17 . 1 1 42 42 GLU N N 42 124.849 124.849 120.484 4.365 19201 6340 1 17 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.442 -0.523 19201 6341 1 17 . 1 1 42 42 GLU C C 42 174.373 174.373 175.216 -0.843 19201 6342 1 17 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.346 3.003 19201 6343 1 17 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.195 -1.543 19201 6344 1 17 . 1 1 42 42 GLU H H 42 8.483 8.483 8.065 0.418 19201 6345 1 17 . 1 1 43 43 GLN N N 43 122.061 122.061 122.938 -0.877 19201 6346 1 17 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.821 0.221 19201 6347 1 17 . 1 1 43 43 GLN C C 43 175.251 175.251 175.324 -0.073 19201 6348 1 17 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.677 -0.283 19201 6349 1 17 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.800 0.422 19201 6350 1 17 . 1 1 43 43 GLN H H 43 8.047 8.047 8.689 -0.642 19201 6351 1 17 . 1 1 44 44 PHE N N 44 122.827 122.827 124.096 -1.269 19201 6352 1 17 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.619 0.059 19201 6353 1 17 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.721 -0.728 19201 6354 1 17 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.455 0.453 19201 6355 1 17 . 1 1 44 44 PHE H H 44 9.312 9.312 9.073 0.239 19201 6356 1 17 . 1 1 45 45 PRO HA H 45 3.531 3.531 3.592 -0.061 19201 6357 1 17 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.127 0.084 19201 6358 1 17 . 1 1 45 45 PRO CB C 45 30.889 30.889 30.643 0.246 19201 6359 1 17 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.265 -0.101 19201 6360 1 17 . 1 1 46 46 PRO C C 46 176.621 176.621 176.366 0.255 19201 6361 1 17 . 1 1 46 46 PRO CA C 46 64.451 64.451 64.469 -0.018 19201 6362 1 17 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.969 -0.079 19201 6363 1 17 . 1 1 47 47 ASP N N 47 113.411 113.411 115.266 -1.855 19201 6364 1 17 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.511 -0.035 19201 6365 1 17 . 1 1 47 47 ASP C C 47 175.831 175.831 176.062 -0.231 19201 6366 1 17 . 1 1 47 47 ASP CA C 47 52.883 52.883 53.392 -0.509 19201 6367 1 17 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.169 -0.618 19201 6368 1 17 . 1 1 47 47 ASP H H 47 8.028 8.028 8.013 0.015 19201 6369 1 17 . 1 1 48 48 TYR N N 48 122.527 122.527 120.945 1.582 19201 6370 1 17 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.342 -0.139 19201 6371 1 17 . 1 1 48 48 TYR C C 48 175.189 175.189 175.418 -0.229 19201 6372 1 17 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.913 -0.104 19201 6373 1 17 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.687 -0.380 19201 6374 1 17 . 1 1 48 48 TYR H H 48 7.812 7.812 7.715 0.097 19201 6375 1 17 . 1 1 49 49 ASP N N 49 125.426 125.426 120.182 5.244 19201 6376 1 17 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.742 -0.433 19201 6377 1 17 . 1 1 49 49 ASP C C 49 176.996 176.996 176.479 0.517 19201 6378 1 17 . 1 1 49 49 ASP CA C 49 54.877 54.877 53.108 1.769 19201 6379 1 17 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.383 -0.078 19201 6380 1 17 . 1 1 49 49 ASP H H 49 8.012 8.012 7.983 0.029 19201 6381 1 17 . 1 1 50 50 GLN N N 50 126.958 126.958 124.662 2.296 19201 6382 1 17 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.109 -0.120 19201 6383 1 17 . 1 1 50 50 GLN C C 50 177.779 177.779 178.114 -0.335 19201 6384 1 17 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.387 -0.469 19201 6385 1 17 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.980 -0.722 19201 6386 1 17 . 1 1 50 50 GLN H H 50 8.873 8.873 8.993 -0.120 19201 6387 1 17 . 1 1 51 51 GLN N N 51 117.767 117.767 118.372 -0.605 19201 6388 1 17 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.185 -0.032 19201 6389 1 17 . 1 1 51 51 GLN C C 51 179.003 179.003 178.444 0.559 19201 6390 1 17 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.639 0.491 19201 6391 1 17 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.844 -0.474 19201 6392 1 17 . 1 1 51 51 GLN H H 51 8.425 8.425 8.462 -0.037 19201 6393 1 17 . 1 1 52 52 VAL N N 52 122.144 122.144 120.498 1.646 19201 6394 1 17 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.762 -0.199 19201 6395 1 17 . 1 1 52 52 VAL C C 52 179.252 179.252 177.842 1.410 19201 6396 1 17 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.567 0.963 19201 6397 1 17 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.003 0.612 19201 6398 1 17 . 1 1 52 52 VAL H H 52 7.864 7.864 7.720 0.144 19201 6399 1 17 . 1 1 53 53 PHE N N 53 122.104 122.104 121.988 0.116 19201 6400 1 17 . 1 1 53 53 PHE HA H 53 3.776 3.776 3.878 -0.102 19201 6401 1 17 . 1 1 53 53 PHE C C 53 176.497 176.497 176.896 -0.399 19201 6402 1 17 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.435 0.082 19201 6403 1 17 . 1 1 53 53 PHE CB C 53 39.103 39.103 38.912 0.191 19201 6404 1 17 . 1 1 53 53 PHE H H 53 8.291 8.291 8.903 -0.612 19201 6405 1 17 . 1 1 54 54 GLU N N 54 118.755 118.755 119.360 -0.605 19201 6406 1 17 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.857 -0.167 19201 6407 1 17 . 1 1 54 54 GLU C C 54 179.450 179.450 179.280 0.170 19201 6408 1 17 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.693 0.153 19201 6409 1 17 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.042 -0.081 19201 6410 1 17 . 1 1 54 54 GLU H H 54 8.613 8.613 8.188 0.425 19201 6411 1 17 . 1 1 55 55 ARG N N 55 119.023 119.023 118.779 0.244 19201 6412 1 17 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.072 -0.065 19201 6413 1 17 . 1 1 55 55 ARG C C 55 178.908 178.908 178.843 0.065 19201 6414 1 17 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.189 0.961 19201 6415 1 17 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.446 0.400 19201 6416 1 17 . 1 1 55 55 ARG H H 55 8.006 8.006 8.314 -0.308 19201 6417 1 17 . 1 1 56 56 HIS N N 56 119.517 119.517 119.899 -0.382 19201 6418 1 17 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.344 -0.232 19201 6419 1 17 . 1 1 56 56 HIS C C 56 178.078 178.078 177.867 0.211 19201 6420 1 17 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.523 0.834 19201 6421 1 17 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.693 -2.876 19201 6422 1 17 . 1 1 56 56 HIS H H 56 7.921 7.921 8.103 -0.182 19201 6423 1 17 . 1 1 57 57 VAL N N 57 121.280 121.280 120.133 1.147 19201 6424 1 17 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.475 -0.031 19201 6425 1 17 . 1 1 57 57 VAL C C 57 177.845 177.845 178.322 -0.477 19201 6426 1 17 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.976 1.412 19201 6427 1 17 . 1 1 57 57 VAL CB C 57 31.749 31.749 30.602 1.147 19201 6428 1 17 . 1 1 57 57 VAL H H 57 8.131 8.131 8.055 0.076 19201 6429 1 17 . 1 1 58 58 GLN N N 58 115.274 115.274 117.288 -2.014 19201 6430 1 17 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.300 -0.302 19201 6431 1 17 . 1 1 58 58 GLN C C 58 178.690 178.690 178.339 0.351 19201 6432 1 17 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.518 -0.567 19201 6433 1 17 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.274 -0.014 19201 6434 1 17 . 1 1 58 58 GLN H H 58 7.745 7.745 8.488 -0.743 19201 6435 1 17 . 1 1 59 59 THR N N 59 112.271 112.271 112.425 -0.154 19201 6436 1 17 . 1 1 59 59 THR HA H 59 4.078 4.078 4.030 0.048 19201 6437 1 17 . 1 1 59 59 THR C C 59 176.280 176.280 176.093 0.187 19201 6438 1 17 . 1 1 59 59 THR CA C 59 65.185 65.185 66.142 -0.957 19201 6439 1 17 . 1 1 59 59 THR CB C 59 69.186 69.186 68.319 0.867 19201 6440 1 17 . 1 1 59 59 THR H H 59 7.658 7.658 7.733 -0.075 19201 6441 1 17 . 1 1 60 60 HIS N N 60 117.387 117.387 120.389 -3.002 19201 6442 1 17 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.218 0.144 19201 6443 1 17 . 1 1 60 60 HIS C C 60 175.307 175.307 176.041 -0.734 19201 6444 1 17 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.593 -1.538 19201 6445 1 17 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.497 -1.311 19201 6446 1 17 . 1 1 60 60 HIS H H 60 7.226 7.226 7.574 -0.348 19201 6447 1 17 . 1 1 61 61 PHE N N 61 118.105 118.105 115.883 2.222 19201 6448 1 17 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.479 0.168 19201 6449 1 17 . 1 1 61 61 PHE C C 61 175.798 175.798 176.826 -1.028 19201 6450 1 17 . 1 1 61 61 PHE CA C 61 57.751 57.751 59.832 -2.081 19201 6451 1 17 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.303 0.266 19201 6452 1 17 . 1 1 61 61 PHE H H 61 7.601 7.601 7.188 0.413 19201 6453 1 17 . 1 1 62 62 ASP N N 62 120.979 120.979 118.204 2.775 19201 6454 1 17 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.503 0.074 19201 6455 1 17 . 1 1 62 62 ASP C C 62 176.531 176.531 176.916 -0.385 19201 6456 1 17 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.258 -1.370 19201 6457 1 17 . 1 1 62 62 ASP CB C 62 41.210 41.210 42.400 -1.190 19201 6458 1 17 . 1 1 62 62 ASP H H 62 8.021 8.021 8.225 -0.204 19201 6459 1 17 . 1 1 63 63 GLN N N 63 120.043 120.043 114.235 5.808 19201 6460 1 17 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.933 0.338 19201 6461 1 17 . 1 1 63 63 GLN C C 63 175.955 175.955 175.350 0.605 19201 6462 1 17 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.108 -0.961 19201 6463 1 17 . 1 1 63 63 GLN CB C 63 29.184 29.184 26.139 3.045 19201 6464 1 17 . 1 1 63 63 GLN H H 63 8.274 8.274 8.568 -0.294 19201 6465 1 17 . 1 1 64 64 ASN N N 64 119.150 119.150 113.914 5.236 19201 6466 1 17 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.374 0.294 19201 6467 1 17 . 1 1 64 64 ASN C C 64 175.159 175.159 175.012 0.147 19201 6468 1 17 . 1 1 64 64 ASN CA C 64 53.645 53.645 54.589 -0.944 19201 6469 1 17 . 1 1 64 64 ASN CB C 64 38.855 38.855 36.814 2.041 19201 6470 1 17 . 1 1 64 64 ASN H H 64 8.406 8.406 8.454 -0.048 19201 6471 1 17 . 1 1 65 65 VAL N N 65 119.684 119.684 109.399 10.285 19201 6472 1 17 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.458 0.581 19201 6473 1 17 . 1 1 65 65 VAL C C 65 175.835 175.835 175.981 -0.146 19201 6474 1 17 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.461 -0.938 19201 6475 1 17 . 1 1 65 65 VAL CB C 65 32.584 32.584 29.773 2.811 19201 6476 1 17 . 1 1 65 65 VAL H H 65 7.904 7.904 7.886 0.018 19201 6477 1 17 . 1 1 66 66 LEU N N 66 124.819 124.819 115.160 9.659 19201 6478 1 17 . 1 1 66 66 LEU HA H 66 4.267 4.267 3.857 0.410 19201 6479 1 17 . 1 1 66 66 LEU C C 66 176.316 176.316 176.442 -0.126 19201 6480 1 17 . 1 1 66 66 LEU CA C 66 54.899 54.899 56.661 -1.762 19201 6481 1 17 . 1 1 66 66 LEU CB C 66 42.404 42.404 40.826 1.578 19201 6482 1 17 . 1 1 66 66 LEU H H 66 8.115 8.115 8.111 0.004 19201 6483 1 17 . 1 1 67 67 ASN N N 67 119.012 119.012 117.211 1.801 19201 6484 1 17 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.634 0.001 19201 6485 1 17 . 1 1 67 67 ASN C C 67 174.316 174.316 174.325 -0.009 19201 6486 1 17 . 1 1 67 67 ASN CA C 67 52.964 52.964 52.823 0.141 19201 6487 1 17 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.182 0.394 19201 6488 1 17 . 1 1 67 67 ASN H H 67 8.057 8.057 7.670 0.387 19201 6489 1 17 . 1 1 68 68 PHE N N 68 121.187 121.187 119.289 1.898 19201 6490 1 17 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.568 0.086 19201 6491 1 17 . 1 1 68 68 PHE C C 68 174.610 174.610 176.525 -1.915 19201 6492 1 17 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.877 -1.480 19201 6493 1 17 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.345 0.379 19201 6494 1 17 . 1 1 68 68 PHE H H 68 8.208 8.208 8.461 -0.253 19201 6495 1 18 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.615 -0.184 19201 6496 1 18 . 1 1 2 2 PRO C C 2 176.542 176.542 175.500 1.042 19201 6497 1 18 . 1 1 2 2 PRO CA C 2 62.968 62.968 62.837 0.131 19201 6498 1 18 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.424 -0.125 19201 6499 1 18 . 1 1 3 3 HIS N N 3 119.528 119.528 122.985 -3.457 19201 6500 1 18 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.509 0.134 19201 6501 1 18 . 1 1 3 3 HIS C C 3 174.598 174.598 176.572 -1.974 19201 6502 1 18 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.321 -0.595 19201 6503 1 18 . 1 1 3 3 HIS CB C 3 29.495 29.495 31.623 -2.128 19201 6504 1 18 . 1 1 3 3 HIS H H 3 8.651 8.651 8.407 0.244 19201 6505 1 18 . 1 1 4 4 MET N N 4 122.541 122.541 115.508 7.033 19201 6506 1 18 . 1 1 4 4 MET HA H 4 4.474 4.474 4.116 0.358 19201 6507 1 18 . 1 1 4 4 MET C C 4 175.419 175.419 175.562 -0.143 19201 6508 1 18 . 1 1 4 4 MET CA C 4 55.207 55.207 57.197 -1.990 19201 6509 1 18 . 1 1 4 4 MET CB C 4 33.158 33.158 32.119 1.039 19201 6510 1 18 . 1 1 4 4 MET H H 4 8.403 8.403 8.474 -0.071 19201 6511 1 18 . 1 1 5 5 ASP N N 5 122.333 122.333 122.802 -0.469 19201 6512 1 18 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.714 -0.089 19201 6513 1 18 . 1 1 5 5 ASP C C 5 175.734 175.734 175.232 0.502 19201 6514 1 18 . 1 1 5 5 ASP CA C 5 54.259 54.259 54.231 0.028 19201 6515 1 18 . 1 1 5 5 ASP CB C 5 41.323 41.323 41.860 -0.537 19201 6516 1 18 . 1 1 5 5 ASP H H 5 8.513 8.513 8.271 0.242 19201 6517 1 18 . 1 1 6 6 VAL N N 6 118.762 118.762 125.200 -6.438 19201 6518 1 18 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.621 -0.476 19201 6519 1 18 . 1 1 6 6 VAL C C 6 175.686 175.686 173.709 1.977 19201 6520 1 18 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.179 0.676 19201 6521 1 18 . 1 1 6 6 VAL CB C 6 32.997 32.997 31.828 1.169 19201 6522 1 18 . 1 1 6 6 VAL H H 6 8.011 8.011 7.603 0.408 19201 6523 1 18 . 1 1 7 7 HIS N N 7 121.430 121.430 117.818 3.612 19201 6524 1 18 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.570 -0.071 19201 6525 1 18 . 1 1 7 7 HIS C C 7 174.456 174.456 175.440 -0.984 19201 6526 1 18 . 1 1 7 7 HIS CA C 7 56.097 56.097 56.323 -0.226 19201 6527 1 18 . 1 1 7 7 HIS CB C 7 30.624 30.624 29.988 0.636 19201 6528 1 18 . 1 1 7 7 HIS H H 7 8.323 8.323 8.096 0.227 19201 6529 1 18 . 1 1 8 8 LYS N N 8 122.591 122.591 122.231 0.360 19201 6530 1 18 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.461 -0.140 19201 6531 1 18 . 1 1 8 8 LYS C C 8 174.443 174.443 174.840 -0.397 19201 6532 1 18 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.187 0.709 19201 6533 1 18 . 1 1 8 8 LYS CB C 8 33.984 33.984 32.734 1.250 19201 6534 1 18 . 1 1 8 8 LYS H H 8 8.515 8.515 7.955 0.560 19201 6535 1 18 . 1 1 9 9 LYS N N 9 124.787 124.787 124.237 0.550 19201 6536 1 18 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.289 -0.111 19201 6537 1 18 . 1 1 9 9 LYS C C 9 176.374 176.374 176.815 -0.441 19201 6538 1 18 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.768 -0.198 19201 6539 1 18 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.110 1.377 19201 6540 1 18 . 1 1 9 9 LYS H H 9 8.383 8.383 8.294 0.089 19201 6541 1 18 . 1 1 10 10 CYS N N 10 129.698 129.698 124.070 5.628 19201 6542 1 18 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.557 0.259 19201 6543 1 18 . 1 1 10 10 CYS CA C 10 57.960 57.960 59.669 -1.709 19201 6544 1 18 . 1 1 10 10 CYS CB C 10 30.731 30.731 25.929 4.802 19201 6545 1 18 . 1 1 10 10 CYS H H 10 8.999 8.999 8.987 0.012 19201 6546 1 18 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.492 0.090 19201 6547 1 18 . 1 1 11 11 PRO C C 11 177.219 177.219 176.458 0.761 19201 6548 1 18 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.050 -0.849 19201 6549 1 18 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.939 0.382 19201 6550 1 18 . 1 1 12 12 LEU N N 12 121.846 121.846 117.498 4.348 19201 6551 1 18 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.249 0.157 19201 6552 1 18 . 1 1 12 12 LEU C C 12 176.492 176.492 177.814 -1.322 19201 6553 1 18 . 1 1 12 12 LEU CA C 12 55.144 55.144 56.642 -1.498 19201 6554 1 18 . 1 1 12 12 LEU CB C 12 43.242 43.242 41.654 1.588 19201 6555 1 18 . 1 1 12 12 LEU H H 12 9.347 9.347 8.257 1.090 19201 6556 1 18 . 1 1 13 13 CYS N N 13 119.509 119.509 116.693 2.816 19201 6557 1 18 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.698 0.243 19201 6558 1 18 . 1 1 13 13 CYS C C 13 173.792 173.792 174.736 -0.944 19201 6559 1 18 . 1 1 13 13 CYS CA C 13 58.541 58.541 59.063 -0.522 19201 6560 1 18 . 1 1 13 13 CYS CB C 13 30.889 30.889 28.538 2.351 19201 6561 1 18 . 1 1 13 13 CYS H H 13 7.879 7.879 7.435 0.444 19201 6562 1 18 . 1 1 14 14 GLU N N 14 114.443 114.443 116.898 -2.455 19201 6563 1 18 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.032 0.132 19201 6564 1 18 . 1 1 14 14 GLU C C 14 175.831 175.831 174.728 1.103 19201 6565 1 18 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.338 0.061 19201 6566 1 18 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.605 2.132 19201 6567 1 18 . 1 1 14 14 GLU H H 14 8.112 8.112 8.650 -0.538 19201 6568 1 18 . 1 1 15 15 LEU N N 15 124.338 124.338 119.713 4.625 19201 6569 1 18 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.627 -0.759 19201 6570 1 18 . 1 1 15 15 LEU C C 15 174.900 174.900 175.123 -0.223 19201 6571 1 18 . 1 1 15 15 LEU CA C 15 57.105 57.105 53.560 3.545 19201 6572 1 18 . 1 1 15 15 LEU CB C 15 43.170 43.170 44.029 -0.859 19201 6573 1 18 . 1 1 15 15 LEU H H 15 8.403 8.403 7.386 1.017 19201 6574 1 18 . 1 1 16 16 MET N N 16 121.138 121.138 122.993 -1.855 19201 6575 1 18 . 1 1 16 16 MET HA H 16 4.964 4.964 4.505 0.459 19201 6576 1 18 . 1 1 16 16 MET C C 16 175.457 175.457 175.707 -0.250 19201 6577 1 18 . 1 1 16 16 MET CA C 16 53.699 53.699 55.332 -1.633 19201 6578 1 18 . 1 1 16 16 MET CB C 16 34.779 34.779 33.890 0.889 19201 6579 1 18 . 1 1 16 16 MET H H 16 7.738 7.738 8.365 -0.627 19201 6580 1 18 . 1 1 17 17 PHE N N 17 122.417 122.417 123.302 -0.885 19201 6581 1 18 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.047 -0.513 19201 6582 1 18 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.718 -0.148 19201 6583 1 18 . 1 1 17 17 PHE CB C 17 39.801 39.801 40.129 -0.328 19201 6584 1 18 . 1 1 17 17 PHE H H 17 8.868 8.868 8.814 0.054 19201 6585 1 18 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.186 -0.629 19201 6586 1 18 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.496 1.100 19201 6587 1 18 . 1 1 18 18 PRO CB C 18 31.065 31.065 32.023 -0.957 19201 6588 1 18 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.513 -0.292 19201 6589 1 18 . 1 1 19 19 PRO C C 19 176.899 176.899 175.863 1.036 19201 6590 1 18 . 1 1 19 19 PRO CA C 19 64.173 64.173 64.065 0.108 19201 6591 1 18 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.562 1.268 19201 6592 1 18 . 1 1 20 20 ASN N N 20 113.731 113.731 116.574 -2.843 19201 6593 1 18 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.707 -0.146 19201 6594 1 18 . 1 1 20 20 ASN C C 20 174.737 174.737 174.565 0.172 19201 6595 1 18 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.677 0.207 19201 6596 1 18 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.414 -2.143 19201 6597 1 18 . 1 1 20 20 ASN H H 20 8.330 8.330 8.363 -0.033 19201 6598 1 18 . 1 1 21 21 TYR N N 21 121.548 121.548 120.292 1.256 19201 6599 1 18 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.769 -0.565 19201 6600 1 18 . 1 1 21 21 TYR C C 21 174.916 174.916 174.260 0.656 19201 6601 1 18 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.260 1.681 19201 6602 1 18 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.589 -0.135 19201 6603 1 18 . 1 1 21 21 TYR H H 21 7.666 7.666 7.860 -0.194 19201 6604 1 18 . 1 1 22 22 ASP N N 22 126.191 126.191 121.017 5.174 19201 6605 1 18 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.544 -0.280 19201 6606 1 18 . 1 1 22 22 ASP C C 22 176.536 176.536 176.586 -0.050 19201 6607 1 18 . 1 1 22 22 ASP CA C 22 54.927 54.927 51.985 2.942 19201 6608 1 18 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.922 -1.595 19201 6609 1 18 . 1 1 22 22 ASP H H 22 7.832 7.832 8.386 -0.554 19201 6610 1 18 . 1 1 23 23 GLN N N 23 127.794 127.794 122.479 5.315 19201 6611 1 18 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.133 -0.143 19201 6612 1 18 . 1 1 23 23 GLN C C 23 178.011 178.011 177.883 0.128 19201 6613 1 18 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.371 -0.416 19201 6614 1 18 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.668 -0.686 19201 6615 1 18 . 1 1 23 23 GLN H H 23 8.891 8.891 8.851 0.040 19201 6616 1 18 . 1 1 24 24 SER N N 24 115.542 115.542 115.118 0.424 19201 6617 1 18 . 1 1 24 24 SER HA H 24 4.298 4.298 4.158 0.140 19201 6618 1 18 . 1 1 24 24 SER C C 24 177.419 177.419 176.024 1.395 19201 6619 1 18 . 1 1 24 24 SER CA C 24 61.975 61.975 62.209 -0.234 19201 6620 1 18 . 1 1 24 24 SER CB C 24 61.975 61.975 62.787 -0.812 19201 6621 1 18 . 1 1 24 24 SER H H 24 8.479 8.479 8.772 -0.293 19201 6622 1 18 . 1 1 25 25 LYS N N 25 123.099 123.099 122.434 0.665 19201 6623 1 18 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.288 -0.109 19201 6624 1 18 . 1 1 25 25 LYS C C 25 180.064 180.064 178.922 1.142 19201 6625 1 18 . 1 1 25 25 LYS CA C 25 58.305 58.305 59.081 -0.776 19201 6626 1 18 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.393 -0.722 19201 6627 1 18 . 1 1 25 25 LYS H H 25 7.734 7.734 7.572 0.162 19201 6628 1 18 . 1 1 26 26 PHE N N 26 123.746 123.746 121.639 2.107 19201 6629 1 18 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.865 -0.015 19201 6630 1 18 . 1 1 26 26 PHE C C 26 176.469 176.469 176.899 -0.430 19201 6631 1 18 . 1 1 26 26 PHE CA C 26 61.759 61.759 60.688 1.071 19201 6632 1 18 . 1 1 26 26 PHE CB C 26 39.163 39.163 39.195 -0.032 19201 6633 1 18 . 1 1 26 26 PHE H H 26 8.414 8.414 8.298 0.116 19201 6634 1 18 . 1 1 27 27 GLU N N 27 118.957 118.957 118.651 0.306 19201 6635 1 18 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.746 -0.005 19201 6636 1 18 . 1 1 27 27 GLU C C 27 178.777 178.777 179.004 -0.227 19201 6637 1 18 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.222 0.395 19201 6638 1 18 . 1 1 27 27 GLU CB C 27 28.682 28.682 28.887 -0.204 19201 6639 1 18 . 1 1 27 27 GLU H H 27 8.497 8.497 8.383 0.114 19201 6640 1 18 . 1 1 28 28 GLU N N 28 118.812 118.812 116.919 1.893 19201 6641 1 18 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.104 -0.183 19201 6642 1 18 . 1 1 28 28 GLU C C 28 179.241 179.241 178.368 0.873 19201 6643 1 18 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.675 0.570 19201 6644 1 18 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.146 0.613 19201 6645 1 18 . 1 1 28 28 GLU H H 28 7.967 7.967 8.579 -0.612 19201 6646 1 18 . 1 1 29 29 HIS N N 29 118.117 118.117 119.401 -1.284 19201 6647 1 18 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.385 -0.242 19201 6648 1 18 . 1 1 29 29 HIS C C 29 178.484 178.484 177.142 1.342 19201 6649 1 18 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.009 2.346 19201 6650 1 18 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.776 -3.715 19201 6651 1 18 . 1 1 29 29 HIS H H 29 7.791 7.791 7.476 0.315 19201 6652 1 18 . 1 1 30 30 VAL N N 30 122.416 122.416 119.623 2.793 19201 6653 1 18 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.747 -0.339 19201 6654 1 18 . 1 1 30 30 VAL C C 30 178.303 178.303 177.718 0.585 19201 6655 1 18 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.039 1.836 19201 6656 1 18 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.064 0.703 19201 6657 1 18 . 1 1 30 30 VAL H H 30 8.202 8.202 7.928 0.274 19201 6658 1 18 . 1 1 31 31 GLU N N 31 115.746 115.746 117.920 -2.174 19201 6659 1 18 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.748 0.977 19201 6660 1 18 . 1 1 31 31 GLU C C 31 178.071 178.071 177.856 0.215 19201 6661 1 18 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.281 -0.254 19201 6662 1 18 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.551 0.220 19201 6663 1 18 . 1 1 31 31 GLU H H 31 7.969 7.969 8.179 -0.210 19201 6664 1 18 . 1 1 32 32 SER N N 32 115.845 115.845 115.294 0.551 19201 6665 1 18 . 1 1 32 32 SER HA H 32 4.223 4.223 4.217 0.006 19201 6666 1 18 . 1 1 32 32 SER C C 32 174.855 174.855 175.576 -0.721 19201 6667 1 18 . 1 1 32 32 SER CA C 32 60.645 60.645 60.022 0.623 19201 6668 1 18 . 1 1 32 32 SER CB C 32 62.815 62.815 63.013 -0.198 19201 6669 1 18 . 1 1 32 32 SER H H 32 7.584 7.584 7.351 0.233 19201 6670 1 18 . 1 1 33 33 HIS N N 33 118.635 118.635 119.198 -0.563 19201 6671 1 18 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.508 -0.059 19201 6672 1 18 . 1 1 33 33 HIS C C 33 175.524 175.524 176.414 -0.890 19201 6673 1 18 . 1 1 33 33 HIS CA C 33 57.026 57.026 59.140 -2.114 19201 6674 1 18 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.538 -1.235 19201 6675 1 18 . 1 1 33 33 HIS H H 33 7.286 7.286 7.830 -0.544 19201 6676 1 18 . 1 1 34 34 TRP N N 34 121.219 121.219 119.602 1.617 19201 6677 1 18 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.792 -0.456 19201 6678 1 18 . 1 1 34 34 TRP C C 34 175.644 175.644 176.917 -1.273 19201 6679 1 18 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.875 2.449 19201 6680 1 18 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.475 0.787 19201 6681 1 18 . 1 1 34 34 TRP H H 34 7.949 7.949 7.481 0.468 19201 6682 1 18 . 1 1 35 35 LYS N N 35 122.872 122.872 123.942 -1.070 19201 6683 1 18 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.075 0.265 19201 6684 1 18 . 1 1 35 35 LYS C C 35 175.286 175.286 176.067 -0.781 19201 6685 1 18 . 1 1 35 35 LYS CA C 35 55.606 55.606 55.004 0.602 19201 6686 1 18 . 1 1 35 35 LYS CB C 35 33.385 33.385 30.866 2.519 19201 6687 1 18 . 1 1 35 35 LYS H H 35 8.581 8.581 8.919 -0.338 19201 6688 1 18 . 1 1 36 36 VAL N N 36 122.386 122.386 125.052 -2.666 19201 6689 1 18 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.684 0.247 19201 6690 1 18 . 1 1 36 36 VAL C C 36 176.320 176.320 176.245 0.075 19201 6691 1 18 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.402 -0.047 19201 6692 1 18 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.537 1.070 19201 6693 1 18 . 1 1 36 36 VAL H H 36 8.313 8.313 8.360 -0.047 19201 6694 1 18 . 1 1 37 37 CYS N N 37 130.378 130.378 129.457 0.921 19201 6695 1 18 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.254 -0.350 19201 6696 1 18 . 1 1 37 37 CYS CA C 37 57.460 57.460 55.888 1.572 19201 6697 1 18 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.390 2.248 19201 6698 1 18 . 1 1 37 37 CYS H H 37 9.165 9.165 9.106 0.059 19201 6699 1 18 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.409 0.174 19201 6700 1 18 . 1 1 38 38 PRO C C 38 176.933 176.933 177.288 -0.355 19201 6701 1 18 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.525 -1.305 19201 6702 1 18 . 1 1 38 38 PRO CB C 38 32.315 32.315 32.193 0.122 19201 6703 1 18 . 1 1 39 39 MET N N 39 119.180 119.180 115.268 3.912 19201 6704 1 18 . 1 1 39 39 MET HA H 39 4.534 4.534 4.505 0.029 19201 6705 1 18 . 1 1 39 39 MET C C 39 176.454 176.454 178.020 -1.566 19201 6706 1 18 . 1 1 39 39 MET CA C 39 55.971 55.971 57.597 -1.626 19201 6707 1 18 . 1 1 39 39 MET CB C 39 32.539 32.539 33.299 -0.760 19201 6708 1 18 . 1 1 39 39 MET H H 39 9.054 9.054 8.234 0.820 19201 6709 1 18 . 1 1 40 40 CYS N N 40 118.414 118.414 116.463 1.951 19201 6710 1 18 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.583 0.440 19201 6711 1 18 . 1 1 40 40 CYS C C 40 175.288 175.288 175.712 -0.424 19201 6712 1 18 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.999 -0.429 19201 6713 1 18 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.011 3.690 19201 6714 1 18 . 1 1 40 40 CYS H H 40 8.096 8.096 7.914 0.182 19201 6715 1 18 . 1 1 41 41 SER N N 41 113.638 113.638 113.267 0.371 19201 6716 1 18 . 1 1 41 41 SER HA H 41 4.291 4.291 4.314 -0.023 19201 6717 1 18 . 1 1 41 41 SER C C 41 173.193 173.193 172.954 0.239 19201 6718 1 18 . 1 1 41 41 SER CA C 41 60.401 60.401 59.447 0.954 19201 6719 1 18 . 1 1 41 41 SER CB C 41 62.177 62.177 62.127 0.050 19201 6720 1 18 . 1 1 41 41 SER H H 41 7.916 7.916 8.602 -0.686 19201 6721 1 18 . 1 1 42 42 GLU N N 42 124.849 124.849 119.866 4.983 19201 6722 1 18 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.408 -0.489 19201 6723 1 18 . 1 1 42 42 GLU C C 42 174.373 174.373 175.181 -0.808 19201 6724 1 18 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.209 3.141 19201 6725 1 18 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.311 -1.659 19201 6726 1 18 . 1 1 42 42 GLU H H 42 8.483 8.483 8.244 0.239 19201 6727 1 18 . 1 1 43 43 GLN N N 43 122.061 122.061 122.877 -0.816 19201 6728 1 18 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.701 0.341 19201 6729 1 18 . 1 1 43 43 GLN C C 43 175.251 175.251 175.023 0.228 19201 6730 1 18 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.878 -0.484 19201 6731 1 18 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.575 0.647 19201 6732 1 18 . 1 1 43 43 GLN H H 43 8.047 8.047 8.629 -0.582 19201 6733 1 18 . 1 1 44 44 PHE N N 44 122.827 122.827 123.713 -0.886 19201 6734 1 18 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.659 0.019 19201 6735 1 18 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.368 -0.374 19201 6736 1 18 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.813 0.095 19201 6737 1 18 . 1 1 44 44 PHE H H 44 9.312 9.312 8.907 0.405 19201 6738 1 18 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.094 -0.563 19201 6739 1 18 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.975 -0.764 19201 6740 1 18 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.132 -0.243 19201 6741 1 18 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.308 -0.144 19201 6742 1 18 . 1 1 46 46 PRO C C 46 176.621 176.621 177.980 -1.359 19201 6743 1 18 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.555 -1.104 19201 6744 1 18 . 1 1 46 46 PRO CB C 46 31.890 31.890 32.010 -0.120 19201 6745 1 18 . 1 1 47 47 ASP N N 47 113.411 113.411 115.520 -2.109 19201 6746 1 18 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.437 0.039 19201 6747 1 18 . 1 1 47 47 ASP C C 47 175.831 175.831 175.564 0.267 19201 6748 1 18 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.617 -1.734 19201 6749 1 18 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.731 -1.180 19201 6750 1 18 . 1 1 47 47 ASP H H 47 8.028 8.028 8.393 -0.365 19201 6751 1 18 . 1 1 48 48 TYR N N 48 122.527 122.527 121.345 1.182 19201 6752 1 18 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.278 -0.075 19201 6753 1 18 . 1 1 48 48 TYR C C 48 175.189 175.189 174.795 0.394 19201 6754 1 18 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.651 0.158 19201 6755 1 18 . 1 1 48 48 TYR CB C 48 39.307 39.307 38.882 0.425 19201 6756 1 18 . 1 1 48 48 TYR H H 48 7.812 7.812 7.640 0.172 19201 6757 1 18 . 1 1 49 49 ASP N N 49 125.426 125.426 126.307 -0.881 19201 6758 1 18 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.553 -0.244 19201 6759 1 18 . 1 1 49 49 ASP C C 49 176.996 176.996 176.826 0.170 19201 6760 1 18 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.484 0.393 19201 6761 1 18 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.603 -1.298 19201 6762 1 18 . 1 1 49 49 ASP H H 49 8.012 8.012 8.125 -0.113 19201 6763 1 18 . 1 1 50 50 GLN N N 50 126.958 126.958 124.360 2.598 19201 6764 1 18 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.037 -0.048 19201 6765 1 18 . 1 1 50 50 GLN C C 50 177.779 177.779 177.974 -0.195 19201 6766 1 18 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.363 -0.445 19201 6767 1 18 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.123 0.135 19201 6768 1 18 . 1 1 50 50 GLN H H 50 8.873 8.873 8.915 -0.042 19201 6769 1 18 . 1 1 51 51 GLN N N 51 117.767 117.767 119.095 -1.328 19201 6770 1 18 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.052 0.101 19201 6771 1 18 . 1 1 51 51 GLN C C 51 179.003 179.003 178.543 0.460 19201 6772 1 18 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.896 0.234 19201 6773 1 18 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.581 -0.211 19201 6774 1 18 . 1 1 51 51 GLN H H 51 8.425 8.425 8.732 -0.307 19201 6775 1 18 . 1 1 52 52 VAL N N 52 122.144 122.144 119.590 2.554 19201 6776 1 18 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.636 -0.073 19201 6777 1 18 . 1 1 52 52 VAL C C 52 179.252 179.252 177.813 1.439 19201 6778 1 18 . 1 1 52 52 VAL CA C 52 66.530 66.530 66.057 0.473 19201 6779 1 18 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.149 0.466 19201 6780 1 18 . 1 1 52 52 VAL H H 52 7.864 7.864 7.519 0.345 19201 6781 1 18 . 1 1 53 53 PHE N N 53 122.104 122.104 121.758 0.346 19201 6782 1 18 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.145 -0.369 19201 6783 1 18 . 1 1 53 53 PHE C C 53 176.497 176.497 176.742 -0.245 19201 6784 1 18 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.318 0.199 19201 6785 1 18 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.238 -0.135 19201 6786 1 18 . 1 1 53 53 PHE H H 53 8.291 8.291 8.488 -0.197 19201 6787 1 18 . 1 1 54 54 GLU N N 54 118.755 118.755 119.398 -0.643 19201 6788 1 18 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.722 -0.032 19201 6789 1 18 . 1 1 54 54 GLU C C 54 179.450 179.450 179.219 0.231 19201 6790 1 18 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.696 0.150 19201 6791 1 18 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.717 0.244 19201 6792 1 18 . 1 1 54 54 GLU H H 54 8.613 8.613 8.837 -0.224 19201 6793 1 18 . 1 1 55 55 ARG N N 55 119.023 119.023 118.288 0.735 19201 6794 1 18 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.045 -0.038 19201 6795 1 18 . 1 1 55 55 ARG C C 55 178.908 178.908 178.872 0.036 19201 6796 1 18 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.345 0.805 19201 6797 1 18 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.708 0.138 19201 6798 1 18 . 1 1 55 55 ARG H H 55 8.006 8.006 8.257 -0.251 19201 6799 1 18 . 1 1 56 56 HIS N N 56 119.517 119.517 119.547 -0.030 19201 6800 1 18 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.226 -0.114 19201 6801 1 18 . 1 1 56 56 HIS C C 56 178.078 178.078 177.196 0.882 19201 6802 1 18 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.363 0.994 19201 6803 1 18 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.421 -2.604 19201 6804 1 18 . 1 1 56 56 HIS H H 56 7.921 7.921 7.544 0.377 19201 6805 1 18 . 1 1 57 57 VAL N N 57 121.280 121.280 119.568 1.712 19201 6806 1 18 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.454 -0.010 19201 6807 1 18 . 1 1 57 57 VAL C C 57 177.845 177.845 178.169 -0.324 19201 6808 1 18 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.418 1.970 19201 6809 1 18 . 1 1 57 57 VAL CB C 57 31.749 31.749 30.414 1.335 19201 6810 1 18 . 1 1 57 57 VAL H H 57 8.131 8.131 7.904 0.227 19201 6811 1 18 . 1 1 58 58 GLN N N 58 115.274 115.274 116.989 -1.715 19201 6812 1 18 . 1 1 58 58 GLN HA H 58 3.998 3.998 3.889 0.109 19201 6813 1 18 . 1 1 58 58 GLN C C 58 178.690 178.690 178.574 0.116 19201 6814 1 18 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.316 -0.365 19201 6815 1 18 . 1 1 58 58 GLN CB C 58 28.260 28.260 27.806 0.454 19201 6816 1 18 . 1 1 58 58 GLN H H 58 7.745 7.745 8.374 -0.629 19201 6817 1 18 . 1 1 59 59 THR N N 59 112.271 112.271 115.451 -3.180 19201 6818 1 18 . 1 1 59 59 THR HA H 59 4.078 4.078 4.152 -0.074 19201 6819 1 18 . 1 1 59 59 THR C C 59 176.280 176.280 176.182 0.098 19201 6820 1 18 . 1 1 59 59 THR CA C 59 65.185 65.185 65.340 -0.155 19201 6821 1 18 . 1 1 59 59 THR CB C 59 69.186 69.186 68.968 0.218 19201 6822 1 18 . 1 1 59 59 THR H H 59 7.658 7.658 7.625 0.033 19201 6823 1 18 . 1 1 60 60 HIS N N 60 117.387 117.387 118.334 -0.947 19201 6824 1 18 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.587 -0.225 19201 6825 1 18 . 1 1 60 60 HIS C C 60 175.307 175.307 176.907 -1.600 19201 6826 1 18 . 1 1 60 60 HIS CA C 60 57.055 57.055 57.559 -0.504 19201 6827 1 18 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.324 -1.138 19201 6828 1 18 . 1 1 60 60 HIS H H 60 7.226 7.226 7.817 -0.591 19201 6829 1 18 . 1 1 61 61 PHE N N 61 118.105 118.105 118.634 -0.529 19201 6830 1 18 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.288 0.359 19201 6831 1 18 . 1 1 61 61 PHE C C 61 175.798 175.798 176.664 -0.866 19201 6832 1 18 . 1 1 61 61 PHE CA C 61 57.751 57.751 58.093 -0.342 19201 6833 1 18 . 1 1 61 61 PHE CB C 61 39.569 39.569 38.529 1.040 19201 6834 1 18 . 1 1 61 61 PHE H H 61 7.601 7.601 7.769 -0.168 19201 6835 1 18 . 1 1 62 62 ASP N N 62 120.979 120.979 118.174 2.805 19201 6836 1 18 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.466 0.111 19201 6837 1 18 . 1 1 62 62 ASP C C 62 176.531 176.531 176.512 0.019 19201 6838 1 18 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.786 -1.898 19201 6839 1 18 . 1 1 62 62 ASP CB C 62 41.210 41.210 42.140 -0.930 19201 6840 1 18 . 1 1 62 62 ASP H H 62 8.021 8.021 7.799 0.222 19201 6841 1 18 . 1 1 63 63 GLN N N 63 120.043 120.043 114.178 5.865 19201 6842 1 18 . 1 1 63 63 GLN HA H 63 4.271 4.271 3.938 0.333 19201 6843 1 18 . 1 1 63 63 GLN C C 63 175.955 175.955 175.086 0.869 19201 6844 1 18 . 1 1 63 63 GLN CA C 63 56.147 56.147 56.831 -0.684 19201 6845 1 18 . 1 1 63 63 GLN CB C 63 29.184 29.184 27.015 2.170 19201 6846 1 18 . 1 1 63 63 GLN H H 63 8.274 8.274 8.338 -0.064 19201 6847 1 18 . 1 1 64 64 ASN N N 64 119.150 119.150 116.930 2.220 19201 6848 1 18 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.421 0.247 19201 6849 1 18 . 1 1 64 64 ASN C C 64 175.159 175.159 174.367 0.792 19201 6850 1 18 . 1 1 64 64 ASN CA C 64 53.645 53.645 54.142 -0.497 19201 6851 1 18 . 1 1 64 64 ASN CB C 64 38.855 38.855 37.373 1.482 19201 6852 1 18 . 1 1 64 64 ASN H H 64 8.406 8.406 8.369 0.037 19201 6853 1 18 . 1 1 65 65 VAL N N 65 119.684 119.684 115.386 4.298 19201 6854 1 18 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.641 0.398 19201 6855 1 18 . 1 1 65 65 VAL C C 65 175.835 175.835 176.816 -0.981 19201 6856 1 18 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.345 -0.822 19201 6857 1 18 . 1 1 65 65 VAL CB C 65 32.584 32.584 29.531 3.053 19201 6858 1 18 . 1 1 65 65 VAL H H 65 7.904 7.904 8.143 -0.239 19201 6859 1 18 . 1 1 66 66 LEU N N 66 124.819 124.819 117.693 7.126 19201 6860 1 18 . 1 1 66 66 LEU HA H 66 4.267 4.267 3.906 0.361 19201 6861 1 18 . 1 1 66 66 LEU C C 66 176.316 176.316 176.656 -0.340 19201 6862 1 18 . 1 1 66 66 LEU CA C 66 54.899 54.899 57.761 -2.861 19201 6863 1 18 . 1 1 66 66 LEU CB C 66 42.404 42.404 40.244 2.160 19201 6864 1 18 . 1 1 66 66 LEU H H 66 8.115 8.115 8.958 -0.843 19201 6865 1 18 . 1 1 67 67 ASN N N 67 119.012 119.012 118.009 1.003 19201 6866 1 18 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.776 -0.141 19201 6867 1 18 . 1 1 67 67 ASN C C 67 174.316 174.316 176.589 -2.273 19201 6868 1 18 . 1 1 67 67 ASN CA C 67 52.964 52.964 52.947 0.017 19201 6869 1 18 . 1 1 67 67 ASN CB C 67 39.576 39.576 40.713 -1.137 19201 6870 1 18 . 1 1 67 67 ASN H H 67 8.057 8.057 8.133 -0.076 19201 6871 1 18 . 1 1 68 68 PHE N N 68 121.187 121.187 120.225 0.962 19201 6872 1 18 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.142 0.512 19201 6873 1 18 . 1 1 68 68 PHE C C 68 174.610 174.610 174.401 0.209 19201 6874 1 18 . 1 1 68 68 PHE CA C 68 57.397 57.397 61.050 -3.653 19201 6875 1 18 . 1 1 68 68 PHE CB C 68 39.724 39.724 37.982 1.742 19201 6876 1 18 . 1 1 68 68 PHE H H 68 8.208 8.208 8.599 -0.391 19201 6877 1 19 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.450 -0.019 19201 6878 1 19 . 1 1 2 2 PRO C C 2 176.542 176.542 176.145 0.397 19201 6879 1 19 . 1 1 2 2 PRO CA C 2 62.968 62.968 62.484 0.484 19201 6880 1 19 . 1 1 2 2 PRO CB C 2 32.299 32.299 31.914 0.385 19201 6881 1 19 . 1 1 3 3 HIS N N 3 119.528 119.528 116.887 2.641 19201 6882 1 19 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.351 0.292 19201 6883 1 19 . 1 1 3 3 HIS C C 3 174.598 174.598 174.041 0.557 19201 6884 1 19 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.528 -0.802 19201 6885 1 19 . 1 1 3 3 HIS CB C 3 29.495 29.495 29.127 0.368 19201 6886 1 19 . 1 1 3 3 HIS H H 3 8.651 8.651 7.761 0.890 19201 6887 1 19 . 1 1 4 4 MET N N 4 122.541 122.541 123.056 -0.515 19201 6888 1 19 . 1 1 4 4 MET HA H 4 4.474 4.474 4.812 -0.338 19201 6889 1 19 . 1 1 4 4 MET C C 4 175.419 175.419 174.622 0.797 19201 6890 1 19 . 1 1 4 4 MET CA C 4 55.207 55.207 54.730 0.477 19201 6891 1 19 . 1 1 4 4 MET CB C 4 33.158 33.158 36.157 -2.999 19201 6892 1 19 . 1 1 4 4 MET H H 4 8.403 8.403 8.222 0.181 19201 6893 1 19 . 1 1 5 5 ASP N N 5 122.333 122.333 126.549 -4.216 19201 6894 1 19 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.584 0.041 19201 6895 1 19 . 1 1 5 5 ASP C C 5 175.734 175.734 175.389 0.345 19201 6896 1 19 . 1 1 5 5 ASP CA C 5 54.259 54.259 55.136 -0.877 19201 6897 1 19 . 1 1 5 5 ASP CB C 5 41.323 41.323 40.990 0.333 19201 6898 1 19 . 1 1 5 5 ASP H H 5 8.513 8.513 8.629 -0.116 19201 6899 1 19 . 1 1 6 6 VAL N N 6 118.762 118.762 124.483 -5.721 19201 6900 1 19 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.702 -0.557 19201 6901 1 19 . 1 1 6 6 VAL C C 6 175.686 175.686 174.572 1.114 19201 6902 1 19 . 1 1 6 6 VAL CA C 6 61.855 61.855 60.913 0.942 19201 6903 1 19 . 1 1 6 6 VAL CB C 6 32.997 32.997 32.183 0.814 19201 6904 1 19 . 1 1 6 6 VAL H H 6 8.011 8.011 8.614 -0.603 19201 6905 1 19 . 1 1 7 7 HIS N N 7 121.430 121.430 118.028 3.402 19201 6906 1 19 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.693 -0.194 19201 6907 1 19 . 1 1 7 7 HIS C C 7 174.456 174.456 175.202 -0.746 19201 6908 1 19 . 1 1 7 7 HIS CA C 7 56.097 56.097 56.150 -0.053 19201 6909 1 19 . 1 1 7 7 HIS CB C 7 30.624 30.624 30.369 0.255 19201 6910 1 19 . 1 1 7 7 HIS H H 7 8.323 8.323 7.978 0.345 19201 6911 1 19 . 1 1 8 8 LYS N N 8 122.591 122.591 122.062 0.529 19201 6912 1 19 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.513 -0.192 19201 6913 1 19 . 1 1 8 8 LYS C C 8 174.443 174.443 175.074 -0.631 19201 6914 1 19 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.606 0.290 19201 6915 1 19 . 1 1 8 8 LYS CB C 8 33.984 33.984 33.054 0.930 19201 6916 1 19 . 1 1 8 8 LYS H H 8 8.515 8.515 7.975 0.540 19201 6917 1 19 . 1 1 9 9 LYS N N 9 124.787 124.787 122.790 1.997 19201 6918 1 19 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.617 -0.439 19201 6919 1 19 . 1 1 9 9 LYS C C 9 176.374 176.374 176.355 0.019 19201 6920 1 19 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.669 -0.099 19201 6921 1 19 . 1 1 9 9 LYS CB C 9 35.487 35.487 35.444 0.043 19201 6922 1 19 . 1 1 9 9 LYS H H 9 8.383 8.383 8.385 -0.002 19201 6923 1 19 . 1 1 10 10 CYS N N 10 129.698 129.698 125.537 4.161 19201 6924 1 19 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.599 0.217 19201 6925 1 19 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.211 0.749 19201 6926 1 19 . 1 1 10 10 CYS CB C 10 30.731 30.731 26.266 4.465 19201 6927 1 19 . 1 1 10 10 CYS H H 10 8.999 8.999 8.966 0.033 19201 6928 1 19 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.303 0.279 19201 6929 1 19 . 1 1 11 11 PRO C C 11 177.219 177.219 176.345 0.874 19201 6930 1 19 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.361 -1.160 19201 6931 1 19 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.500 0.821 19201 6932 1 19 . 1 1 12 12 LEU N N 12 121.846 121.846 117.606 4.240 19201 6933 1 19 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.337 0.069 19201 6934 1 19 . 1 1 12 12 LEU C C 12 176.492 176.492 178.253 -1.761 19201 6935 1 19 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.849 -0.705 19201 6936 1 19 . 1 1 12 12 LEU CB C 12 43.242 43.242 40.882 2.360 19201 6937 1 19 . 1 1 12 12 LEU H H 12 9.347 9.347 8.032 1.315 19201 6938 1 19 . 1 1 13 13 CYS N N 13 119.509 119.509 112.329 7.180 19201 6939 1 19 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.703 0.238 19201 6940 1 19 . 1 1 13 13 CYS C C 13 173.792 173.792 175.379 -1.587 19201 6941 1 19 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.093 0.448 19201 6942 1 19 . 1 1 13 13 CYS CB C 13 30.889 30.889 30.325 0.564 19201 6943 1 19 . 1 1 13 13 CYS H H 13 7.879 7.879 7.760 0.119 19201 6944 1 19 . 1 1 14 14 GLU N N 14 114.443 114.443 117.063 -2.620 19201 6945 1 19 . 1 1 14 14 GLU HA H 14 4.164 4.164 3.952 0.212 19201 6946 1 19 . 1 1 14 14 GLU C C 14 175.831 175.831 174.935 0.896 19201 6947 1 19 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.063 0.336 19201 6948 1 19 . 1 1 14 14 GLU CB C 14 28.737 28.737 26.592 2.145 19201 6949 1 19 . 1 1 14 14 GLU H H 14 8.112 8.112 8.759 -0.647 19201 6950 1 19 . 1 1 15 15 LEU N N 15 124.338 124.338 120.811 3.527 19201 6951 1 19 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.282 -0.414 19201 6952 1 19 . 1 1 15 15 LEU C C 15 174.900 174.900 175.887 -0.987 19201 6953 1 19 . 1 1 15 15 LEU CA C 15 57.105 57.105 55.060 2.045 19201 6954 1 19 . 1 1 15 15 LEU CB C 15 43.170 43.170 43.116 0.054 19201 6955 1 19 . 1 1 15 15 LEU H H 15 8.403 8.403 7.375 1.028 19201 6956 1 19 . 1 1 16 16 MET N N 16 121.138 121.138 125.465 -4.327 19201 6957 1 19 . 1 1 16 16 MET HA H 16 4.964 4.964 4.542 0.422 19201 6958 1 19 . 1 1 16 16 MET C C 16 175.457 175.457 175.150 0.307 19201 6959 1 19 . 1 1 16 16 MET CA C 16 53.699 53.699 55.488 -1.789 19201 6960 1 19 . 1 1 16 16 MET CB C 16 34.779 34.779 33.535 1.244 19201 6961 1 19 . 1 1 16 16 MET H H 16 7.738 7.738 8.252 -0.514 19201 6962 1 19 . 1 1 17 17 PHE N N 17 122.417 122.417 126.838 -4.421 19201 6963 1 19 . 1 1 17 17 PHE HA H 17 4.534 4.534 5.019 -0.485 19201 6964 1 19 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.583 -0.013 19201 6965 1 19 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.460 0.341 19201 6966 1 19 . 1 1 17 17 PHE H H 17 8.868 8.868 9.190 -0.322 19201 6967 1 19 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.093 -0.536 19201 6968 1 19 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.540 1.056 19201 6969 1 19 . 1 1 18 18 PRO CB C 18 31.065 31.065 32.061 -0.996 19201 6970 1 19 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.434 -0.213 19201 6971 1 19 . 1 1 19 19 PRO C C 19 176.899 176.899 176.174 0.725 19201 6972 1 19 . 1 1 19 19 PRO CA C 19 64.173 64.173 63.969 0.203 19201 6973 1 19 . 1 1 19 19 PRO CB C 19 31.830 31.830 30.841 0.989 19201 6974 1 19 . 1 1 20 20 ASN N N 20 113.731 113.731 116.640 -2.909 19201 6975 1 19 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.670 -0.109 19201 6976 1 19 . 1 1 20 20 ASN C C 20 174.737 174.737 175.501 -0.764 19201 6977 1 19 . 1 1 20 20 ASN CA C 20 52.884 52.884 53.038 -0.154 19201 6978 1 19 . 1 1 20 20 ASN CB C 20 37.271 37.271 38.880 -1.609 19201 6979 1 19 . 1 1 20 20 ASN H H 20 8.330 8.330 8.085 0.245 19201 6980 1 19 . 1 1 21 21 TYR N N 21 121.548 121.548 120.394 1.154 19201 6981 1 19 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.627 -0.423 19201 6982 1 19 . 1 1 21 21 TYR C C 21 174.916 174.916 174.860 0.056 19201 6983 1 19 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.493 1.448 19201 6984 1 19 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.495 -0.041 19201 6985 1 19 . 1 1 21 21 TYR H H 21 7.666 7.666 8.012 -0.346 19201 6986 1 19 . 1 1 22 22 ASP N N 22 126.191 126.191 121.621 4.570 19201 6987 1 19 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.601 -0.337 19201 6988 1 19 . 1 1 22 22 ASP C C 22 176.536 176.536 176.574 -0.038 19201 6989 1 19 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.957 1.970 19201 6990 1 19 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.386 -1.059 19201 6991 1 19 . 1 1 22 22 ASP H H 22 7.832 7.832 8.449 -0.617 19201 6992 1 19 . 1 1 23 23 GLN N N 23 127.794 127.794 123.075 4.719 19201 6993 1 19 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.069 -0.079 19201 6994 1 19 . 1 1 23 23 GLN C C 23 178.011 178.011 178.345 -0.334 19201 6995 1 19 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.121 -0.166 19201 6996 1 19 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.663 -0.681 19201 6997 1 19 . 1 1 23 23 GLN H H 23 8.891 8.891 8.837 0.054 19201 6998 1 19 . 1 1 24 24 SER N N 24 115.542 115.542 112.977 2.565 19201 6999 1 19 . 1 1 24 24 SER HA H 24 4.298 4.298 4.349 -0.051 19201 7000 1 19 . 1 1 24 24 SER C C 24 177.419 177.419 176.214 1.205 19201 7001 1 19 . 1 1 24 24 SER CA C 24 61.975 61.975 61.897 0.078 19201 7002 1 19 . 1 1 24 24 SER CB C 24 61.975 61.975 62.983 -1.008 19201 7003 1 19 . 1 1 24 24 SER H H 24 8.479 8.479 9.055 -0.576 19201 7004 1 19 . 1 1 25 25 LYS N N 25 123.099 123.099 122.310 0.789 19201 7005 1 19 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.170 0.009 19201 7006 1 19 . 1 1 25 25 LYS C C 25 180.064 180.064 179.292 0.772 19201 7007 1 19 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.510 -0.205 19201 7008 1 19 . 1 1 25 25 LYS CB C 25 31.671 31.671 31.955 -0.284 19201 7009 1 19 . 1 1 25 25 LYS H H 25 7.734 7.734 7.708 0.026 19201 7010 1 19 . 1 1 26 26 PHE N N 26 123.746 123.746 121.863 1.883 19201 7011 1 19 . 1 1 26 26 PHE HA H 26 3.850 3.850 4.128 -0.278 19201 7012 1 19 . 1 1 26 26 PHE C C 26 176.469 176.469 176.958 -0.489 19201 7013 1 19 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.236 0.523 19201 7014 1 19 . 1 1 26 26 PHE CB C 26 39.163 39.163 39.142 0.021 19201 7015 1 19 . 1 1 26 26 PHE H H 26 8.414 8.414 8.450 -0.036 19201 7016 1 19 . 1 1 27 27 GLU N N 27 118.957 118.957 118.863 0.094 19201 7017 1 19 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.717 0.024 19201 7018 1 19 . 1 1 27 27 GLU C C 27 178.777 178.777 178.968 -0.191 19201 7019 1 19 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.553 0.064 19201 7020 1 19 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.306 -0.624 19201 7021 1 19 . 1 1 27 27 GLU H H 27 8.497 8.497 7.920 0.577 19201 7022 1 19 . 1 1 28 28 GLU N N 28 118.812 118.812 117.866 0.946 19201 7023 1 19 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.029 -0.108 19201 7024 1 19 . 1 1 28 28 GLU C C 28 179.241 179.241 178.075 1.166 19201 7025 1 19 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.607 0.638 19201 7026 1 19 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.023 0.736 19201 7027 1 19 . 1 1 28 28 GLU H H 28 7.967 7.967 8.725 -0.758 19201 7028 1 19 . 1 1 29 29 HIS N N 29 118.117 118.117 119.255 -1.138 19201 7029 1 19 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.461 -0.318 19201 7030 1 19 . 1 1 29 29 HIS C C 29 178.484 178.484 177.607 0.877 19201 7031 1 19 . 1 1 29 29 HIS CA C 29 60.355 60.355 57.901 2.454 19201 7032 1 19 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.675 -3.614 19201 7033 1 19 . 1 1 29 29 HIS H H 29 7.791 7.791 7.649 0.142 19201 7034 1 19 . 1 1 30 30 VAL N N 30 122.416 122.416 119.145 3.271 19201 7035 1 19 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.413 -0.005 19201 7036 1 19 . 1 1 30 30 VAL C C 30 178.303 178.303 178.086 0.217 19201 7037 1 19 . 1 1 30 30 VAL CA C 30 67.875 67.875 65.714 2.161 19201 7038 1 19 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.631 0.136 19201 7039 1 19 . 1 1 30 30 VAL H H 30 8.202 8.202 7.887 0.315 19201 7040 1 19 . 1 1 31 31 GLU N N 31 115.746 115.746 118.174 -2.428 19201 7041 1 19 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.095 0.630 19201 7042 1 19 . 1 1 31 31 GLU C C 31 178.071 178.071 176.865 1.206 19201 7043 1 19 . 1 1 31 31 GLU CA C 31 58.027 58.027 57.802 0.225 19201 7044 1 19 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.646 0.125 19201 7045 1 19 . 1 1 31 31 GLU H H 31 7.969 7.969 8.115 -0.146 19201 7046 1 19 . 1 1 32 32 SER N N 32 115.845 115.845 112.370 3.475 19201 7047 1 19 . 1 1 32 32 SER HA H 32 4.223 4.223 4.291 -0.068 19201 7048 1 19 . 1 1 32 32 SER C C 32 174.855 174.855 175.069 -0.214 19201 7049 1 19 . 1 1 32 32 SER CA C 32 60.645 60.645 60.389 0.257 19201 7050 1 19 . 1 1 32 32 SER CB C 32 62.815 62.815 63.148 -0.333 19201 7051 1 19 . 1 1 32 32 SER H H 32 7.584 7.584 7.346 0.238 19201 7052 1 19 . 1 1 33 33 HIS N N 33 118.635 118.635 117.700 0.935 19201 7053 1 19 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.663 -0.214 19201 7054 1 19 . 1 1 33 33 HIS C C 33 175.524 175.524 175.771 -0.247 19201 7055 1 19 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.229 -1.203 19201 7056 1 19 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.964 -1.661 19201 7057 1 19 . 1 1 33 33 HIS H H 33 7.286 7.286 7.723 -0.437 19201 7058 1 19 . 1 1 34 34 TRP N N 34 121.219 121.219 120.225 0.994 19201 7059 1 19 . 1 1 34 34 TRP HA H 34 4.336 4.336 5.000 -0.664 19201 7060 1 19 . 1 1 34 34 TRP C C 34 175.644 175.644 176.778 -1.134 19201 7061 1 19 . 1 1 34 34 TRP CA C 34 58.324 58.324 55.466 2.858 19201 7062 1 19 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.740 0.522 19201 7063 1 19 . 1 1 34 34 TRP H H 34 7.949 7.949 7.576 0.373 19201 7064 1 19 . 1 1 35 35 LYS N N 35 122.872 122.872 123.711 -0.839 19201 7065 1 19 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.236 0.104 19201 7066 1 19 . 1 1 35 35 LYS C C 35 175.286 175.286 176.033 -0.747 19201 7067 1 19 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.869 0.737 19201 7068 1 19 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.913 1.472 19201 7069 1 19 . 1 1 35 35 LYS H H 35 8.581 8.581 8.782 -0.201 19201 7070 1 19 . 1 1 36 36 VAL N N 36 122.386 122.386 126.202 -3.816 19201 7071 1 19 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.704 0.227 19201 7072 1 19 . 1 1 36 36 VAL C C 36 176.320 176.320 176.283 0.037 19201 7073 1 19 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.995 -0.640 19201 7074 1 19 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.555 1.052 19201 7075 1 19 . 1 1 36 36 VAL H H 36 8.313 8.313 8.384 -0.071 19201 7076 1 19 . 1 1 37 37 CYS N N 37 130.378 130.378 129.630 0.748 19201 7077 1 19 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.187 -0.283 19201 7078 1 19 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.406 1.054 19201 7079 1 19 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.583 2.055 19201 7080 1 19 . 1 1 37 37 CYS H H 37 9.165 9.165 9.164 0.001 19201 7081 1 19 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.366 0.217 19201 7082 1 19 . 1 1 38 38 PRO C C 38 176.933 176.933 177.388 -0.455 19201 7083 1 19 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.861 -1.641 19201 7084 1 19 . 1 1 38 38 PRO CB C 38 32.315 32.315 32.039 0.276 19201 7085 1 19 . 1 1 39 39 MET N N 39 119.180 119.180 114.207 4.973 19201 7086 1 19 . 1 1 39 39 MET HA H 39 4.534 4.534 4.404 0.130 19201 7087 1 19 . 1 1 39 39 MET C C 39 176.454 176.454 176.781 -0.327 19201 7088 1 19 . 1 1 39 39 MET CA C 39 55.971 55.971 57.373 -1.402 19201 7089 1 19 . 1 1 39 39 MET CB C 39 32.539 32.539 33.185 -0.646 19201 7090 1 19 . 1 1 39 39 MET H H 39 9.054 9.054 8.288 0.766 19201 7091 1 19 . 1 1 40 40 CYS N N 40 118.414 118.414 115.811 2.603 19201 7092 1 19 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.508 0.514 19201 7093 1 19 . 1 1 40 40 CYS C C 40 175.288 175.288 175.730 -0.442 19201 7094 1 19 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.995 -0.424 19201 7095 1 19 . 1 1 40 40 CYS CB C 40 31.701 31.701 27.986 3.715 19201 7096 1 19 . 1 1 40 40 CYS H H 40 8.096 8.096 7.929 0.167 19201 7097 1 19 . 1 1 41 41 SER N N 41 113.638 113.638 113.377 0.261 19201 7098 1 19 . 1 1 41 41 SER HA H 41 4.291 4.291 4.314 -0.023 19201 7099 1 19 . 1 1 41 41 SER C C 41 173.193 173.193 172.949 0.244 19201 7100 1 19 . 1 1 41 41 SER CA C 41 60.401 60.401 59.181 1.220 19201 7101 1 19 . 1 1 41 41 SER CB C 41 62.177 62.177 62.337 -0.160 19201 7102 1 19 . 1 1 41 41 SER H H 41 7.916 7.916 8.485 -0.569 19201 7103 1 19 . 1 1 42 42 GLU N N 42 124.849 124.849 119.468 5.381 19201 7104 1 19 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.544 -0.625 19201 7105 1 19 . 1 1 42 42 GLU C C 42 174.373 174.373 175.302 -0.929 19201 7106 1 19 . 1 1 42 42 GLU CA C 42 58.350 58.350 54.935 3.414 19201 7107 1 19 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.865 -2.213 19201 7108 1 19 . 1 1 42 42 GLU H H 42 8.483 8.483 8.181 0.302 19201 7109 1 19 . 1 1 43 43 GLN N N 43 122.061 122.061 122.724 -0.663 19201 7110 1 19 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.790 0.252 19201 7111 1 19 . 1 1 43 43 GLN C C 43 175.251 175.251 175.278 -0.027 19201 7112 1 19 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.434 -1.040 19201 7113 1 19 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.302 0.920 19201 7114 1 19 . 1 1 43 43 GLN H H 43 8.047 8.047 8.760 -0.713 19201 7115 1 19 . 1 1 44 44 PHE N N 44 122.827 122.827 124.179 -1.352 19201 7116 1 19 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.749 -0.071 19201 7117 1 19 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.645 -0.651 19201 7118 1 19 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.378 0.530 19201 7119 1 19 . 1 1 44 44 PHE H H 44 9.312 9.312 9.173 0.139 19201 7120 1 19 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.317 -0.786 19201 7121 1 19 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.872 -0.661 19201 7122 1 19 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.134 -0.245 19201 7123 1 19 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.669 -0.505 19201 7124 1 19 . 1 1 46 46 PRO C C 46 176.621 176.621 177.172 -0.551 19201 7125 1 19 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.569 -1.118 19201 7126 1 19 . 1 1 46 46 PRO CB C 46 31.890 31.890 32.196 -0.306 19201 7127 1 19 . 1 1 47 47 ASP N N 47 113.411 113.411 113.959 -0.548 19201 7128 1 19 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.455 0.021 19201 7129 1 19 . 1 1 47 47 ASP C C 47 175.831 175.831 175.949 -0.118 19201 7130 1 19 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.334 -1.451 19201 7131 1 19 . 1 1 47 47 ASP CB C 47 39.551 39.551 39.619 -0.068 19201 7132 1 19 . 1 1 47 47 ASP H H 47 8.028 8.028 8.476 -0.448 19201 7133 1 19 . 1 1 48 48 TYR N N 48 122.527 122.527 122.446 0.081 19201 7134 1 19 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.305 -0.102 19201 7135 1 19 . 1 1 48 48 TYR C C 48 175.189 175.189 174.715 0.474 19201 7136 1 19 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.683 0.126 19201 7137 1 19 . 1 1 48 48 TYR CB C 48 39.307 39.307 38.447 0.860 19201 7138 1 19 . 1 1 48 48 TYR H H 48 7.812 7.812 7.829 -0.017 19201 7139 1 19 . 1 1 49 49 ASP N N 49 125.426 125.426 127.523 -2.097 19201 7140 1 19 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.514 -0.205 19201 7141 1 19 . 1 1 49 49 ASP C C 49 176.996 176.996 177.069 -0.073 19201 7142 1 19 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.941 -0.064 19201 7143 1 19 . 1 1 49 49 ASP CB C 49 42.305 42.305 43.386 -1.081 19201 7144 1 19 . 1 1 49 49 ASP H H 49 8.012 8.012 8.066 -0.054 19201 7145 1 19 . 1 1 50 50 GLN N N 50 126.958 126.958 125.416 1.542 19201 7146 1 19 . 1 1 50 50 GLN HA H 50 3.989 3.989 3.971 0.018 19201 7147 1 19 . 1 1 50 50 GLN C C 50 177.779 177.779 178.047 -0.268 19201 7148 1 19 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.514 -0.596 19201 7149 1 19 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.742 -0.484 19201 7150 1 19 . 1 1 50 50 GLN H H 50 8.873 8.873 8.942 -0.069 19201 7151 1 19 . 1 1 51 51 GLN N N 51 117.767 117.767 118.245 -0.478 19201 7152 1 19 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.250 -0.097 19201 7153 1 19 . 1 1 51 51 GLN C C 51 179.003 179.003 178.056 0.947 19201 7154 1 19 . 1 1 51 51 GLN CA C 51 59.130 59.130 59.063 0.067 19201 7155 1 19 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.253 0.117 19201 7156 1 19 . 1 1 51 51 GLN H H 51 8.425 8.425 8.899 -0.474 19201 7157 1 19 . 1 1 52 52 VAL N N 52 122.144 122.144 119.618 2.526 19201 7158 1 19 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.815 -0.252 19201 7159 1 19 . 1 1 52 52 VAL C C 52 179.252 179.252 178.163 1.089 19201 7160 1 19 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.419 1.111 19201 7161 1 19 . 1 1 52 52 VAL CB C 52 31.615 31.615 30.686 0.929 19201 7162 1 19 . 1 1 52 52 VAL H H 52 7.864 7.864 7.604 0.260 19201 7163 1 19 . 1 1 53 53 PHE N N 53 122.104 122.104 122.434 -0.330 19201 7164 1 19 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.229 -0.453 19201 7165 1 19 . 1 1 53 53 PHE C C 53 176.497 176.497 177.054 -0.557 19201 7166 1 19 . 1 1 53 53 PHE CA C 53 61.517 61.517 62.018 -0.501 19201 7167 1 19 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.192 -0.089 19201 7168 1 19 . 1 1 53 53 PHE H H 53 8.291 8.291 8.814 -0.523 19201 7169 1 19 . 1 1 54 54 GLU N N 54 118.755 118.755 120.058 -1.303 19201 7170 1 19 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.858 -0.168 19201 7171 1 19 . 1 1 54 54 GLU C C 54 179.450 179.450 179.117 0.333 19201 7172 1 19 . 1 1 54 54 GLU CA C 54 59.846 59.846 60.102 -0.256 19201 7173 1 19 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.398 -0.437 19201 7174 1 19 . 1 1 54 54 GLU H H 54 8.613 8.613 8.774 -0.161 19201 7175 1 19 . 1 1 55 55 ARG N N 55 119.023 119.023 117.726 1.297 19201 7176 1 19 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.113 -0.106 19201 7177 1 19 . 1 1 55 55 ARG C C 55 178.908 178.908 178.960 -0.052 19201 7178 1 19 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.361 0.789 19201 7179 1 19 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.720 0.126 19201 7180 1 19 . 1 1 55 55 ARG H H 55 8.006 8.006 8.295 -0.289 19201 7181 1 19 . 1 1 56 56 HIS N N 56 119.517 119.517 120.074 -0.557 19201 7182 1 19 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.398 -0.286 19201 7183 1 19 . 1 1 56 56 HIS C C 56 178.078 178.078 178.003 0.075 19201 7184 1 19 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.163 1.194 19201 7185 1 19 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.504 -2.687 19201 7186 1 19 . 1 1 56 56 HIS H H 56 7.921 7.921 7.959 -0.038 19201 7187 1 19 . 1 1 57 57 VAL N N 57 121.280 121.280 120.782 0.498 19201 7188 1 19 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.621 -0.177 19201 7189 1 19 . 1 1 57 57 VAL C C 57 177.845 177.845 178.324 -0.479 19201 7190 1 19 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.680 1.708 19201 7191 1 19 . 1 1 57 57 VAL CB C 57 31.749 31.749 30.657 1.091 19201 7192 1 19 . 1 1 57 57 VAL H H 57 8.131 8.131 8.259 -0.128 19201 7193 1 19 . 1 1 58 58 GLN N N 58 115.274 115.274 116.839 -1.565 19201 7194 1 19 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.369 -0.371 19201 7195 1 19 . 1 1 58 58 GLN C C 58 178.690 178.690 178.326 0.364 19201 7196 1 19 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.232 -0.281 19201 7197 1 19 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.191 0.069 19201 7198 1 19 . 1 1 58 58 GLN H H 58 7.745 7.745 8.238 -0.493 19201 7199 1 19 . 1 1 59 59 THR N N 59 112.271 112.271 111.691 0.580 19201 7200 1 19 . 1 1 59 59 THR HA H 59 4.078 4.078 4.195 -0.117 19201 7201 1 19 . 1 1 59 59 THR C C 59 176.280 176.280 175.898 0.382 19201 7202 1 19 . 1 1 59 59 THR CA C 59 65.185 65.185 65.629 -0.444 19201 7203 1 19 . 1 1 59 59 THR CB C 59 69.186 69.186 68.623 0.563 19201 7204 1 19 . 1 1 59 59 THR H H 59 7.658 7.658 8.103 -0.445 19201 7205 1 19 . 1 1 60 60 HIS N N 60 117.387 117.387 120.017 -2.630 19201 7206 1 19 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.277 0.085 19201 7207 1 19 . 1 1 60 60 HIS C C 60 175.307 175.307 176.625 -1.318 19201 7208 1 19 . 1 1 60 60 HIS CA C 60 57.055 57.055 57.678 -0.623 19201 7209 1 19 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.489 -1.303 19201 7210 1 19 . 1 1 60 60 HIS H H 60 7.226 7.226 7.643 -0.417 19201 7211 1 19 . 1 1 61 61 PHE N N 61 118.105 118.105 118.535 -0.430 19201 7212 1 19 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.369 0.278 19201 7213 1 19 . 1 1 61 61 PHE C C 61 175.798 175.798 177.317 -1.519 19201 7214 1 19 . 1 1 61 61 PHE CA C 61 57.751 57.751 61.240 -3.489 19201 7215 1 19 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.092 0.477 19201 7216 1 19 . 1 1 61 61 PHE H H 61 7.601 7.601 7.746 -0.145 19201 7217 1 19 . 1 1 62 62 ASP N N 62 120.979 120.979 117.750 3.229 19201 7218 1 19 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.591 -0.014 19201 7219 1 19 . 1 1 62 62 ASP C C 62 176.531 176.531 175.895 0.636 19201 7220 1 19 . 1 1 62 62 ASP CA C 62 54.888 54.888 55.400 -0.512 19201 7221 1 19 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.327 -0.117 19201 7222 1 19 . 1 1 62 62 ASP H H 62 8.021 8.021 8.389 -0.368 19201 7223 1 19 . 1 1 63 63 GLN N N 63 120.043 120.043 113.648 6.395 19201 7224 1 19 . 1 1 63 63 GLN HA H 63 4.271 4.271 4.064 0.207 19201 7225 1 19 . 1 1 63 63 GLN C C 63 175.955 175.955 176.134 -0.179 19201 7226 1 19 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.034 -0.887 19201 7227 1 19 . 1 1 63 63 GLN CB C 63 29.184 29.184 25.694 3.490 19201 7228 1 19 . 1 1 63 63 GLN H H 63 8.274 8.274 8.233 0.041 19201 7229 1 19 . 1 1 64 64 ASN N N 64 119.150 119.150 119.574 -0.424 19201 7230 1 19 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.558 0.110 19201 7231 1 19 . 1 1 64 64 ASN C C 64 175.159 175.159 175.713 -0.554 19201 7232 1 19 . 1 1 64 64 ASN CA C 64 53.645 53.645 55.983 -2.338 19201 7233 1 19 . 1 1 64 64 ASN CB C 64 38.855 38.855 38.734 0.121 19201 7234 1 19 . 1 1 64 64 ASN H H 64 8.406 8.406 8.053 0.353 19201 7235 1 19 . 1 1 65 65 VAL N N 65 119.684 119.684 117.485 2.199 19201 7236 1 19 . 1 1 65 65 VAL HA H 65 4.039 4.039 4.243 -0.204 19201 7237 1 19 . 1 1 65 65 VAL C C 65 175.835 175.835 174.921 0.914 19201 7238 1 19 . 1 1 65 65 VAL CA C 65 62.523 62.523 62.059 0.463 19201 7239 1 19 . 1 1 65 65 VAL CB C 65 32.584 32.584 32.778 -0.194 19201 7240 1 19 . 1 1 65 65 VAL H H 65 7.904 7.904 7.723 0.181 19201 7241 1 19 . 1 1 66 66 LEU N N 66 124.819 124.819 121.283 3.536 19201 7242 1 19 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.617 -0.350 19201 7243 1 19 . 1 1 66 66 LEU C C 66 176.316 176.316 174.694 1.622 19201 7244 1 19 . 1 1 66 66 LEU CA C 66 54.899 54.899 53.771 1.128 19201 7245 1 19 . 1 1 66 66 LEU CB C 66 42.404 42.404 42.552 -0.148 19201 7246 1 19 . 1 1 66 66 LEU H H 66 8.115 8.115 7.377 0.738 19201 7247 1 19 . 1 1 67 67 ASN N N 67 119.012 119.012 120.141 -1.129 19201 7248 1 19 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.540 0.095 19201 7249 1 19 . 1 1 67 67 ASN C C 67 174.316 174.316 175.503 -1.187 19201 7250 1 19 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.952 -0.988 19201 7251 1 19 . 1 1 67 67 ASN CB C 67 39.576 39.576 37.885 1.691 19201 7252 1 19 . 1 1 67 67 ASN H H 67 8.057 8.057 7.843 0.214 19201 7253 1 19 . 1 1 68 68 PHE N N 68 121.187 121.187 125.574 -4.387 19201 7254 1 19 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.043 0.611 19201 7255 1 19 . 1 1 68 68 PHE C C 68 174.610 174.610 174.063 0.547 19201 7256 1 19 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.361 -0.964 19201 7257 1 19 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.139 0.585 19201 7258 1 19 . 1 1 68 68 PHE H H 68 8.208 8.208 8.515 -0.307 19201 7259 1 20 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.645 -0.214 19201 7260 1 20 . 1 1 2 2 PRO C C 2 176.542 176.542 175.858 0.684 19201 7261 1 20 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.027 -0.059 19201 7262 1 20 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.073 0.226 19201 7263 1 20 . 1 1 3 3 HIS N N 3 119.528 119.528 123.478 -3.950 19201 7264 1 20 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.700 -0.057 19201 7265 1 20 . 1 1 3 3 HIS C C 3 174.598 174.598 174.561 0.037 19201 7266 1 20 . 1 1 3 3 HIS CA C 3 55.726 55.726 55.374 0.352 19201 7267 1 20 . 1 1 3 3 HIS CB C 3 29.495 29.495 32.204 -2.709 19201 7268 1 20 . 1 1 3 3 HIS H H 3 8.651 8.651 8.282 0.369 19201 7269 1 20 . 1 1 4 4 MET N N 4 122.541 122.541 125.915 -3.374 19201 7270 1 20 . 1 1 4 4 MET HA H 4 4.474 4.474 4.457 0.017 19201 7271 1 20 . 1 1 4 4 MET C C 4 175.419 175.419 175.388 0.031 19201 7272 1 20 . 1 1 4 4 MET CA C 4 55.207 55.207 54.371 0.836 19201 7273 1 20 . 1 1 4 4 MET CB C 4 33.158 33.158 30.633 2.525 19201 7274 1 20 . 1 1 4 4 MET H H 4 8.403 8.403 8.312 0.091 19201 7275 1 20 . 1 1 5 5 ASP N N 5 122.333 122.333 122.532 -0.199 19201 7276 1 20 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.330 0.295 19201 7277 1 20 . 1 1 5 5 ASP C C 5 175.734 175.734 174.897 0.837 19201 7278 1 20 . 1 1 5 5 ASP CA C 5 54.259 54.259 55.156 -0.896 19201 7279 1 20 . 1 1 5 5 ASP CB C 5 41.323 41.323 41.289 0.034 19201 7280 1 20 . 1 1 5 5 ASP H H 5 8.513 8.513 8.127 0.386 19201 7281 1 20 . 1 1 6 6 VAL N N 6 118.762 118.762 122.078 -3.316 19201 7282 1 20 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.323 -0.178 19201 7283 1 20 . 1 1 6 6 VAL C C 6 175.686 175.686 175.051 0.635 19201 7284 1 20 . 1 1 6 6 VAL CA C 6 61.855 61.855 60.782 1.073 19201 7285 1 20 . 1 1 6 6 VAL CB C 6 32.997 32.997 30.745 2.252 19201 7286 1 20 . 1 1 6 6 VAL H H 6 8.011 8.011 8.513 -0.502 19201 7287 1 20 . 1 1 7 7 HIS N N 7 121.430 121.430 113.707 7.723 19201 7288 1 20 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.357 0.142 19201 7289 1 20 . 1 1 7 7 HIS C C 7 174.456 174.456 175.198 -0.742 19201 7290 1 20 . 1 1 7 7 HIS CA C 7 56.097 56.097 58.447 -2.350 19201 7291 1 20 . 1 1 7 7 HIS CB C 7 30.624 30.624 28.007 2.617 19201 7292 1 20 . 1 1 7 7 HIS H H 7 8.323 8.323 8.303 0.020 19201 7293 1 20 . 1 1 8 8 LYS N N 8 122.591 122.591 120.896 1.695 19201 7294 1 20 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.387 -0.066 19201 7295 1 20 . 1 1 8 8 LYS C C 8 174.443 174.443 175.416 -0.973 19201 7296 1 20 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.769 0.127 19201 7297 1 20 . 1 1 8 8 LYS CB C 8 33.984 33.984 31.172 2.812 19201 7298 1 20 . 1 1 8 8 LYS H H 8 8.515 8.515 8.220 0.294 19201 7299 1 20 . 1 1 9 9 LYS N N 9 124.787 124.787 122.228 2.559 19201 7300 1 20 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.149 0.029 19201 7301 1 20 . 1 1 9 9 LYS C C 9 176.374 176.374 176.242 0.132 19201 7302 1 20 . 1 1 9 9 LYS CA C 9 54.570 54.570 53.335 1.235 19201 7303 1 20 . 1 1 9 9 LYS CB C 9 35.487 35.487 33.890 1.597 19201 7304 1 20 . 1 1 9 9 LYS H H 9 8.383 8.383 7.967 0.416 19201 7305 1 20 . 1 1 10 10 CYS N N 10 129.698 129.698 125.086 4.612 19201 7306 1 20 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.832 -0.016 19201 7307 1 20 . 1 1 10 10 CYS CA C 10 57.960 57.960 56.889 1.071 19201 7308 1 20 . 1 1 10 10 CYS CB C 10 30.731 30.731 27.412 3.319 19201 7309 1 20 . 1 1 10 10 CYS H H 10 8.999 8.999 8.933 0.066 19201 7310 1 20 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.478 0.104 19201 7311 1 20 . 1 1 11 11 PRO C C 11 177.219 177.219 176.248 0.971 19201 7312 1 20 . 1 1 11 11 PRO CA C 11 64.201 64.201 64.156 0.045 19201 7313 1 20 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.570 0.751 19201 7314 1 20 . 1 1 12 12 LEU N N 12 121.846 121.846 115.568 6.278 19201 7315 1 20 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.495 -0.089 19201 7316 1 20 . 1 1 12 12 LEU C C 12 176.492 176.492 177.325 -0.833 19201 7317 1 20 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.291 -0.147 19201 7318 1 20 . 1 1 12 12 LEU CB C 12 43.242 43.242 42.522 0.720 19201 7319 1 20 . 1 1 12 12 LEU H H 12 9.347 9.347 7.714 1.633 19201 7320 1 20 . 1 1 13 13 CYS N N 13 119.509 119.509 114.258 5.251 19201 7321 1 20 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.625 0.316 19201 7322 1 20 . 1 1 13 13 CYS C C 13 173.792 173.792 174.490 -0.698 19201 7323 1 20 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.446 0.095 19201 7324 1 20 . 1 1 13 13 CYS CB C 13 30.889 30.889 28.754 2.135 19201 7325 1 20 . 1 1 13 13 CYS H H 13 7.879 7.879 7.594 0.285 19201 7326 1 20 . 1 1 14 14 GLU N N 14 114.443 114.443 119.745 -5.302 19201 7327 1 20 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.410 -0.246 19201 7328 1 20 . 1 1 14 14 GLU C C 14 175.831 175.831 175.682 0.149 19201 7329 1 20 . 1 1 14 14 GLU CA C 14 57.399 57.399 56.504 0.895 19201 7330 1 20 . 1 1 14 14 GLU CB C 14 28.737 28.737 31.133 -2.396 19201 7331 1 20 . 1 1 14 14 GLU H H 14 8.112 8.112 8.302 -0.190 19201 7332 1 20 . 1 1 15 15 LEU N N 15 124.338 124.338 120.332 4.006 19201 7333 1 20 . 1 1 15 15 LEU HA H 15 3.868 3.868 3.998 -0.130 19201 7334 1 20 . 1 1 15 15 LEU C C 15 174.900 174.900 174.974 -0.074 19201 7335 1 20 . 1 1 15 15 LEU CA C 15 57.105 57.105 56.872 0.233 19201 7336 1 20 . 1 1 15 15 LEU CB C 15 43.170 43.170 41.732 1.438 19201 7337 1 20 . 1 1 15 15 LEU H H 15 8.403 8.403 8.005 0.398 19201 7338 1 20 . 1 1 16 16 MET N N 16 121.138 121.138 117.550 3.588 19201 7339 1 20 . 1 1 16 16 MET HA H 16 4.964 4.964 4.795 0.169 19201 7340 1 20 . 1 1 16 16 MET C C 16 175.457 175.457 174.433 1.024 19201 7341 1 20 . 1 1 16 16 MET CA C 16 53.699 53.699 54.978 -1.279 19201 7342 1 20 . 1 1 16 16 MET CB C 16 34.779 34.779 34.867 -0.088 19201 7343 1 20 . 1 1 16 16 MET H H 16 7.738 7.738 7.712 0.026 19201 7344 1 20 . 1 1 17 17 PHE N N 17 122.417 122.417 125.793 -3.376 19201 7345 1 20 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.981 -0.447 19201 7346 1 20 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.555 0.015 19201 7347 1 20 . 1 1 17 17 PHE CB C 17 39.801 39.801 41.333 -1.532 19201 7348 1 20 . 1 1 17 17 PHE H H 17 8.868 8.868 8.960 -0.092 19201 7349 1 20 . 1 1 18 18 PRO HA H 18 4.557 4.557 4.820 -0.263 19201 7350 1 20 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.850 0.746 19201 7351 1 20 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.404 -0.338 19201 7352 1 20 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.392 -0.171 19201 7353 1 20 . 1 1 19 19 PRO C C 19 176.899 176.899 175.994 0.905 19201 7354 1 20 . 1 1 19 19 PRO CA C 19 64.173 64.173 64.552 -0.379 19201 7355 1 20 . 1 1 19 19 PRO CB C 19 31.830 31.830 31.338 0.492 19201 7356 1 20 . 1 1 20 20 ASN N N 20 113.731 113.731 115.982 -2.251 19201 7357 1 20 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.663 -0.102 19201 7358 1 20 . 1 1 20 20 ASN C C 20 174.737 174.737 174.636 0.101 19201 7359 1 20 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.143 0.741 19201 7360 1 20 . 1 1 20 20 ASN CB C 20 37.271 37.271 37.966 -0.695 19201 7361 1 20 . 1 1 20 20 ASN H H 20 8.330 8.330 8.008 0.322 19201 7362 1 20 . 1 1 21 21 TYR N N 21 121.548 121.548 119.850 1.698 19201 7363 1 20 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.593 -0.389 19201 7364 1 20 . 1 1 21 21 TYR C C 21 174.916 174.916 174.738 0.178 19201 7365 1 20 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.338 1.603 19201 7366 1 20 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.221 0.233 19201 7367 1 20 . 1 1 21 21 TYR H H 21 7.666 7.666 7.877 -0.211 19201 7368 1 20 . 1 1 22 22 ASP N N 22 126.191 126.191 121.953 4.238 19201 7369 1 20 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.610 -0.346 19201 7370 1 20 . 1 1 22 22 ASP C C 22 176.536 176.536 176.741 -0.205 19201 7371 1 20 . 1 1 22 22 ASP CA C 22 54.927 54.927 53.056 1.871 19201 7372 1 20 . 1 1 22 22 ASP CB C 22 42.327 42.327 42.317 0.010 19201 7373 1 20 . 1 1 22 22 ASP H H 22 7.832 7.832 8.594 -0.762 19201 7374 1 20 . 1 1 23 23 GLN N N 23 127.794 127.794 124.550 3.244 19201 7375 1 20 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.184 -0.194 19201 7376 1 20 . 1 1 23 23 GLN C C 23 178.011 178.011 178.257 -0.246 19201 7377 1 20 . 1 1 23 23 GLN CA C 23 58.955 58.955 58.980 -0.025 19201 7378 1 20 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.703 -0.721 19201 7379 1 20 . 1 1 23 23 GLN H H 23 8.891 8.891 8.891 0.000 19201 7380 1 20 . 1 1 24 24 SER N N 24 115.542 115.542 115.036 0.506 19201 7381 1 20 . 1 1 24 24 SER HA H 24 4.298 4.298 4.263 0.035 19201 7382 1 20 . 1 1 24 24 SER C C 24 177.419 177.419 176.319 1.100 19201 7383 1 20 . 1 1 24 24 SER CA C 24 61.975 61.975 61.772 0.203 19201 7384 1 20 . 1 1 24 24 SER CB C 24 61.975 61.975 62.924 -0.949 19201 7385 1 20 . 1 1 24 24 SER H H 24 8.479 8.479 8.796 -0.317 19201 7386 1 20 . 1 1 25 25 LYS N N 25 123.099 123.099 123.042 0.057 19201 7387 1 20 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.478 -0.299 19201 7388 1 20 . 1 1 25 25 LYS C C 25 180.064 180.064 179.032 1.032 19201 7389 1 20 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.589 -0.284 19201 7390 1 20 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.006 -0.335 19201 7391 1 20 . 1 1 25 25 LYS H H 25 7.734 7.734 7.705 0.029 19201 7392 1 20 . 1 1 26 26 PHE N N 26 123.746 123.746 119.866 3.880 19201 7393 1 20 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.978 -0.128 19201 7394 1 20 . 1 1 26 26 PHE C C 26 176.469 176.469 176.839 -0.370 19201 7395 1 20 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.577 0.182 19201 7396 1 20 . 1 1 26 26 PHE CB C 26 39.163 39.163 39.074 0.089 19201 7397 1 20 . 1 1 26 26 PHE H H 26 8.414 8.414 8.759 -0.345 19201 7398 1 20 . 1 1 27 27 GLU N N 27 118.957 118.957 118.161 0.796 19201 7399 1 20 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.738 0.003 19201 7400 1 20 . 1 1 27 27 GLU C C 27 178.777 178.777 178.825 -0.048 19201 7401 1 20 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.181 0.436 19201 7402 1 20 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.261 -0.579 19201 7403 1 20 . 1 1 27 27 GLU H H 27 8.497 8.497 7.878 0.619 19201 7404 1 20 . 1 1 28 28 GLU N N 28 118.812 118.812 120.299 -1.487 19201 7405 1 20 . 1 1 28 28 GLU HA H 28 3.921 3.921 4.147 -0.226 19201 7406 1 20 . 1 1 28 28 GLU C C 28 179.241 179.241 178.718 0.523 19201 7407 1 20 . 1 1 28 28 GLU CA C 28 59.245 59.245 59.157 0.088 19201 7408 1 20 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.465 0.294 19201 7409 1 20 . 1 1 28 28 GLU H H 28 7.967 7.967 7.967 -0.000 19201 7410 1 20 . 1 1 29 29 HIS N N 29 118.117 118.117 119.909 -1.792 19201 7411 1 20 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.355 -0.212 19201 7412 1 20 . 1 1 29 29 HIS C C 29 178.484 178.484 177.384 1.100 19201 7413 1 20 . 1 1 29 29 HIS CA C 29 60.355 60.355 59.330 1.025 19201 7414 1 20 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.170 -3.109 19201 7415 1 20 . 1 1 29 29 HIS H H 29 7.791 7.791 7.734 0.057 19201 7416 1 20 . 1 1 30 30 VAL N N 30 122.416 122.416 119.594 2.822 19201 7417 1 20 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.571 -0.163 19201 7418 1 20 . 1 1 30 30 VAL C C 30 178.303 178.303 177.311 0.992 19201 7419 1 20 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.705 1.170 19201 7420 1 20 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.608 0.159 19201 7421 1 20 . 1 1 30 30 VAL H H 30 8.202 8.202 7.962 0.240 19201 7422 1 20 . 1 1 31 31 GLU N N 31 115.746 115.746 118.705 -2.959 19201 7423 1 20 . 1 1 31 31 GLU HA H 31 3.725 3.725 2.383 1.342 19201 7424 1 20 . 1 1 31 31 GLU C C 31 178.071 178.071 177.663 0.408 19201 7425 1 20 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.152 -0.125 19201 7426 1 20 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.436 0.336 19201 7427 1 20 . 1 1 31 31 GLU H H 31 7.969 7.969 8.200 -0.231 19201 7428 1 20 . 1 1 32 32 SER N N 32 115.845 115.845 114.616 1.229 19201 7429 1 20 . 1 1 32 32 SER HA H 32 4.223 4.223 4.148 0.075 19201 7430 1 20 . 1 1 32 32 SER C C 32 174.855 174.855 174.991 -0.136 19201 7431 1 20 . 1 1 32 32 SER CA C 32 60.645 60.645 60.782 -0.137 19201 7432 1 20 . 1 1 32 32 SER CB C 32 62.815 62.815 63.116 -0.301 19201 7433 1 20 . 1 1 32 32 SER H H 32 7.584 7.584 7.340 0.244 19201 7434 1 20 . 1 1 33 33 HIS N N 33 118.635 118.635 117.694 0.941 19201 7435 1 20 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.427 0.022 19201 7436 1 20 . 1 1 33 33 HIS C C 33 175.524 175.524 175.897 -0.373 19201 7437 1 20 . 1 1 33 33 HIS CA C 33 57.026 57.026 57.832 -0.806 19201 7438 1 20 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.221 -0.918 19201 7439 1 20 . 1 1 33 33 HIS H H 33 7.286 7.286 7.361 -0.075 19201 7440 1 20 . 1 1 34 34 TRP N N 34 121.219 121.219 120.246 0.973 19201 7441 1 20 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.721 -0.385 19201 7442 1 20 . 1 1 34 34 TRP C C 34 175.644 175.644 176.717 -1.073 19201 7443 1 20 . 1 1 34 34 TRP CA C 34 58.324 58.324 56.611 1.713 19201 7444 1 20 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.535 0.727 19201 7445 1 20 . 1 1 34 34 TRP H H 34 7.949 7.949 7.550 0.399 19201 7446 1 20 . 1 1 35 35 LYS N N 35 122.872 122.872 123.624 -0.752 19201 7447 1 20 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.094 0.246 19201 7448 1 20 . 1 1 35 35 LYS C C 35 175.286 175.286 175.748 -0.462 19201 7449 1 20 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.657 0.949 19201 7450 1 20 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.178 2.207 19201 7451 1 20 . 1 1 35 35 LYS H H 35 8.581 8.581 8.356 0.225 19201 7452 1 20 . 1 1 36 36 VAL N N 36 122.386 122.386 125.948 -3.562 19201 7453 1 20 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.798 0.133 19201 7454 1 20 . 1 1 36 36 VAL C C 36 176.320 176.320 176.177 0.143 19201 7455 1 20 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.766 -0.411 19201 7456 1 20 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.627 0.980 19201 7457 1 20 . 1 1 36 36 VAL H H 36 8.313 8.313 8.236 0.077 19201 7458 1 20 . 1 1 37 37 CYS N N 37 130.378 130.378 129.494 0.884 19201 7459 1 20 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.046 -0.142 19201 7460 1 20 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.493 0.967 19201 7461 1 20 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.025 2.613 19201 7462 1 20 . 1 1 37 37 CYS H H 37 9.165 9.165 9.453 -0.288 19201 7463 1 20 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.371 0.212 19201 7464 1 20 . 1 1 38 38 PRO C C 38 176.933 176.933 176.816 0.117 19201 7465 1 20 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.865 -1.645 19201 7466 1 20 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.873 0.442 19201 7467 1 20 . 1 1 39 39 MET N N 39 119.180 119.180 114.278 4.902 19201 7468 1 20 . 1 1 39 39 MET HA H 39 4.534 4.534 4.444 0.090 19201 7469 1 20 . 1 1 39 39 MET C C 39 176.454 176.454 177.209 -0.755 19201 7470 1 20 . 1 1 39 39 MET CA C 39 55.971 55.971 56.398 -0.427 19201 7471 1 20 . 1 1 39 39 MET CB C 39 32.539 32.539 32.653 -0.114 19201 7472 1 20 . 1 1 39 39 MET H H 39 9.054 9.054 8.077 0.977 19201 7473 1 20 . 1 1 40 40 CYS N N 40 118.414 118.414 117.216 1.198 19201 7474 1 20 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.597 0.426 19201 7475 1 20 . 1 1 40 40 CYS C C 40 175.288 175.288 176.052 -0.764 19201 7476 1 20 . 1 1 40 40 CYS CA C 40 58.570 58.570 59.274 -0.704 19201 7477 1 20 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.425 3.276 19201 7478 1 20 . 1 1 40 40 CYS H H 40 8.096 8.096 7.486 0.610 19201 7479 1 20 . 1 1 41 41 SER N N 41 113.638 113.638 114.725 -1.087 19201 7480 1 20 . 1 1 41 41 SER HA H 41 4.291 4.291 4.183 0.108 19201 7481 1 20 . 1 1 41 41 SER C C 41 173.193 173.193 173.174 0.019 19201 7482 1 20 . 1 1 41 41 SER CA C 41 60.401 60.401 59.874 0.527 19201 7483 1 20 . 1 1 41 41 SER CB C 41 62.177 62.177 62.279 -0.102 19201 7484 1 20 . 1 1 41 41 SER H H 41 7.916 7.916 8.608 -0.692 19201 7485 1 20 . 1 1 42 42 GLU N N 42 124.849 124.849 119.661 5.188 19201 7486 1 20 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.530 -0.611 19201 7487 1 20 . 1 1 42 42 GLU C C 42 174.373 174.373 174.954 -0.581 19201 7488 1 20 . 1 1 42 42 GLU CA C 42 58.350 58.350 54.875 3.475 19201 7489 1 20 . 1 1 42 42 GLU CB C 42 29.652 29.652 32.110 -2.458 19201 7490 1 20 . 1 1 42 42 GLU H H 42 8.483 8.483 7.874 0.609 19201 7491 1 20 . 1 1 43 43 GLN N N 43 122.061 122.061 122.130 -0.069 19201 7492 1 20 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.709 0.333 19201 7493 1 20 . 1 1 43 43 GLN C C 43 175.251 175.251 175.142 0.109 19201 7494 1 20 . 1 1 43 43 GLN CA C 43 54.394 54.394 54.896 -0.502 19201 7495 1 20 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.555 0.667 19201 7496 1 20 . 1 1 43 43 GLN H H 43 8.047 8.047 8.620 -0.573 19201 7497 1 20 . 1 1 44 44 PHE N N 44 122.827 122.827 124.227 -1.400 19201 7498 1 20 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.648 0.030 19201 7499 1 20 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.642 -0.648 19201 7500 1 20 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.627 0.281 19201 7501 1 20 . 1 1 44 44 PHE H H 44 9.312 9.312 8.924 0.388 19201 7502 1 20 . 1 1 45 45 PRO HA H 45 3.531 3.531 3.757 -0.226 19201 7503 1 20 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.506 -0.295 19201 7504 1 20 . 1 1 45 45 PRO CB C 45 30.889 30.889 30.637 0.252 19201 7505 1 20 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.344 -0.180 19201 7506 1 20 . 1 1 46 46 PRO C C 46 176.621 176.621 176.422 0.199 19201 7507 1 20 . 1 1 46 46 PRO CA C 46 64.451 64.451 64.967 -0.516 19201 7508 1 20 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.882 0.008 19201 7509 1 20 . 1 1 47 47 ASP N N 47 113.411 113.411 116.299 -2.888 19201 7510 1 20 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.569 -0.093 19201 7511 1 20 . 1 1 47 47 ASP C C 47 175.831 175.831 175.868 -0.037 19201 7512 1 20 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.253 -1.370 19201 7513 1 20 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.642 -1.091 19201 7514 1 20 . 1 1 47 47 ASP H H 47 8.028 8.028 8.154 -0.126 19201 7515 1 20 . 1 1 48 48 TYR N N 48 122.527 122.527 121.744 0.783 19201 7516 1 20 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.284 -0.081 19201 7517 1 20 . 1 1 48 48 TYR C C 48 175.189 175.189 175.056 0.133 19201 7518 1 20 . 1 1 48 48 TYR CA C 48 58.809 58.809 59.336 -0.527 19201 7519 1 20 . 1 1 48 48 TYR CB C 48 39.307 39.307 38.806 0.501 19201 7520 1 20 . 1 1 48 48 TYR H H 48 7.812 7.812 7.617 0.195 19201 7521 1 20 . 1 1 49 49 ASP N N 49 125.426 125.426 126.555 -1.129 19201 7522 1 20 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.539 -0.230 19201 7523 1 20 . 1 1 49 49 ASP C C 49 176.996 176.996 177.375 -0.379 19201 7524 1 20 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.331 0.546 19201 7525 1 20 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.607 -0.302 19201 7526 1 20 . 1 1 49 49 ASP H H 49 8.012 8.012 8.178 -0.166 19201 7527 1 20 . 1 1 50 50 GLN N N 50 126.958 126.958 124.256 2.702 19201 7528 1 20 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.125 -0.136 19201 7529 1 20 . 1 1 50 50 GLN C C 50 177.779 177.779 178.437 -0.658 19201 7530 1 20 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.760 -0.842 19201 7531 1 20 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.659 -0.401 19201 7532 1 20 . 1 1 50 50 GLN H H 50 8.873 8.873 8.892 -0.019 19201 7533 1 20 . 1 1 51 51 GLN N N 51 117.767 117.767 118.254 -0.487 19201 7534 1 20 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.131 0.022 19201 7535 1 20 . 1 1 51 51 GLN C C 51 179.003 179.003 178.536 0.467 19201 7536 1 20 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.666 0.464 19201 7537 1 20 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.682 -0.312 19201 7538 1 20 . 1 1 51 51 GLN H H 51 8.425 8.425 8.989 -0.564 19201 7539 1 20 . 1 1 52 52 VAL N N 52 122.144 122.144 119.992 2.152 19201 7540 1 20 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.758 -0.195 19201 7541 1 20 . 1 1 52 52 VAL C C 52 179.252 179.252 177.456 1.796 19201 7542 1 20 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.725 0.805 19201 7543 1 20 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.487 0.128 19201 7544 1 20 . 1 1 52 52 VAL H H 52 7.864 7.864 7.195 0.669 19201 7545 1 20 . 1 1 53 53 PHE N N 53 122.104 122.104 121.852 0.252 19201 7546 1 20 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.152 -0.376 19201 7547 1 20 . 1 1 53 53 PHE C C 53 176.497 176.497 177.029 -0.532 19201 7548 1 20 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.316 0.201 19201 7549 1 20 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.433 -0.330 19201 7550 1 20 . 1 1 53 53 PHE H H 53 8.291 8.291 8.926 -0.635 19201 7551 1 20 . 1 1 54 54 GLU N N 54 118.755 118.755 117.792 0.963 19201 7552 1 20 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.875 -0.185 19201 7553 1 20 . 1 1 54 54 GLU C C 54 179.450 179.450 179.355 0.095 19201 7554 1 20 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.546 0.300 19201 7555 1 20 . 1 1 54 54 GLU CB C 54 28.961 28.961 28.843 0.118 19201 7556 1 20 . 1 1 54 54 GLU H H 54 8.613 8.613 8.863 -0.250 19201 7557 1 20 . 1 1 55 55 ARG N N 55 119.023 119.023 118.215 0.808 19201 7558 1 20 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.231 -0.224 19201 7559 1 20 . 1 1 55 55 ARG C C 55 178.908 178.908 178.754 0.154 19201 7560 1 20 . 1 1 55 55 ARG CA C 55 59.150 59.150 57.456 1.694 19201 7561 1 20 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.677 0.169 19201 7562 1 20 . 1 1 55 55 ARG H H 55 8.006 8.006 7.674 0.332 19201 7563 1 20 . 1 1 56 56 HIS N N 56 119.517 119.517 120.822 -1.305 19201 7564 1 20 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.393 -0.281 19201 7565 1 20 . 1 1 56 56 HIS C C 56 178.078 178.078 177.435 0.643 19201 7566 1 20 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.431 0.926 19201 7567 1 20 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.420 -2.603 19201 7568 1 20 . 1 1 56 56 HIS H H 56 7.921 7.921 7.609 0.312 19201 7569 1 20 . 1 1 57 57 VAL N N 57 121.280 121.280 120.482 0.798 19201 7570 1 20 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.420 0.024 19201 7571 1 20 . 1 1 57 57 VAL C C 57 177.845 177.845 178.698 -0.853 19201 7572 1 20 . 1 1 57 57 VAL CA C 57 67.388 67.388 66.156 1.232 19201 7573 1 20 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.345 0.404 19201 7574 1 20 . 1 1 57 57 VAL H H 57 8.131 8.131 7.956 0.175 19201 7575 1 20 . 1 1 58 58 GLN N N 58 115.274 115.274 118.619 -3.345 19201 7576 1 20 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.186 -0.188 19201 7577 1 20 . 1 1 58 58 GLN C C 58 178.690 178.690 178.159 0.531 19201 7578 1 20 . 1 1 58 58 GLN CA C 58 57.951 57.951 59.190 -1.238 19201 7579 1 20 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.079 0.181 19201 7580 1 20 . 1 1 58 58 GLN H H 58 7.745 7.745 8.367 -0.622 19201 7581 1 20 . 1 1 59 59 THR N N 59 112.271 112.271 110.461 1.810 19201 7582 1 20 . 1 1 59 59 THR HA H 59 4.078 4.078 4.033 0.045 19201 7583 1 20 . 1 1 59 59 THR C C 59 176.280 176.280 176.419 -0.139 19201 7584 1 20 . 1 1 59 59 THR CA C 59 65.185 65.185 65.144 0.041 19201 7585 1 20 . 1 1 59 59 THR CB C 59 69.186 69.186 68.346 0.840 19201 7586 1 20 . 1 1 59 59 THR H H 59 7.658 7.658 7.742 -0.084 19201 7587 1 20 . 1 1 60 60 HIS N N 60 117.387 117.387 118.533 -1.146 19201 7588 1 20 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.375 -0.013 19201 7589 1 20 . 1 1 60 60 HIS C C 60 175.307 175.307 175.335 -0.028 19201 7590 1 20 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.090 -1.035 19201 7591 1 20 . 1 1 60 60 HIS CB C 60 28.186 28.186 30.140 -1.954 19201 7592 1 20 . 1 1 60 60 HIS H H 60 7.226 7.226 7.727 -0.501 19201 7593 1 20 . 1 1 61 61 PHE N N 61 118.105 118.105 118.293 -0.188 19201 7594 1 20 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.608 0.039 19201 7595 1 20 . 1 1 61 61 PHE C C 61 175.798 175.798 176.656 -0.858 19201 7596 1 20 . 1 1 61 61 PHE CA C 61 57.751 57.751 59.950 -2.199 19201 7597 1 20 . 1 1 61 61 PHE CB C 61 39.569 39.569 40.383 -0.814 19201 7598 1 20 . 1 1 61 61 PHE H H 61 7.601 7.601 8.017 -0.416 19201 7599 1 20 . 1 1 62 62 ASP N N 62 120.979 120.979 119.418 1.561 19201 7600 1 20 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.638 -0.061 19201 7601 1 20 . 1 1 62 62 ASP C C 62 176.531 176.531 177.099 -0.568 19201 7602 1 20 . 1 1 62 62 ASP CA C 62 54.888 54.888 55.849 -0.961 19201 7603 1 20 . 1 1 62 62 ASP CB C 62 41.210 41.210 42.127 -0.917 19201 7604 1 20 . 1 1 62 62 ASP H H 62 8.021 8.021 8.629 -0.608 19201 7605 1 20 . 1 1 63 63 GLN N N 63 120.043 120.043 114.260 5.783 19201 7606 1 20 . 1 1 63 63 GLN HA H 63 4.271 4.271 4.142 0.129 19201 7607 1 20 . 1 1 63 63 GLN C C 63 175.955 175.955 175.425 0.530 19201 7608 1 20 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.998 -1.851 19201 7609 1 20 . 1 1 63 63 GLN CB C 63 29.184 29.184 26.631 2.553 19201 7610 1 20 . 1 1 63 63 GLN H H 63 8.274 8.274 8.173 0.101 19201 7611 1 20 . 1 1 64 64 ASN N N 64 119.150 119.150 116.572 2.578 19201 7612 1 20 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.792 -0.124 19201 7613 1 20 . 1 1 64 64 ASN C C 64 175.159 175.159 174.756 0.403 19201 7614 1 20 . 1 1 64 64 ASN CA C 64 53.645 53.645 53.313 0.332 19201 7615 1 20 . 1 1 64 64 ASN CB C 64 38.855 38.855 41.046 -2.191 19201 7616 1 20 . 1 1 64 64 ASN H H 64 8.406 8.406 7.784 0.622 19201 7617 1 20 . 1 1 65 65 VAL N N 65 119.684 119.684 121.308 -1.624 19201 7618 1 20 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.957 0.082 19201 7619 1 20 . 1 1 65 65 VAL C C 65 175.835 175.835 174.274 1.561 19201 7620 1 20 . 1 1 65 65 VAL CA C 65 62.523 62.523 62.680 -0.157 19201 7621 1 20 . 1 1 65 65 VAL CB C 65 32.584 32.584 31.477 1.107 19201 7622 1 20 . 1 1 65 65 VAL H H 65 7.904 7.904 8.749 -0.845 19201 7623 1 20 . 1 1 66 66 LEU N N 66 124.819 124.819 126.892 -2.073 19201 7624 1 20 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.588 -0.321 19201 7625 1 20 . 1 1 66 66 LEU C C 66 176.316 176.316 176.283 0.033 19201 7626 1 20 . 1 1 66 66 LEU CA C 66 54.899 54.899 54.704 0.195 19201 7627 1 20 . 1 1 66 66 LEU CB C 66 42.404 42.404 41.981 0.423 19201 7628 1 20 . 1 1 66 66 LEU H H 66 8.115 8.115 8.385 -0.270 19201 7629 1 20 . 1 1 67 67 ASN N N 67 119.012 119.012 126.085 -7.073 19201 7630 1 20 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.737 -0.102 19201 7631 1 20 . 1 1 67 67 ASN C C 67 174.316 174.316 174.750 -0.434 19201 7632 1 20 . 1 1 67 67 ASN CA C 67 52.964 52.964 54.323 -1.359 19201 7633 1 20 . 1 1 67 67 ASN CB C 67 39.576 39.576 38.925 0.651 19201 7634 1 20 . 1 1 67 67 ASN H H 67 8.057 8.057 9.032 -0.975 19201 7635 1 20 . 1 1 68 68 PHE N N 68 121.187 121.187 115.366 5.821 19201 7636 1 20 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.804 -0.150 19201 7637 1 20 . 1 1 68 68 PHE C C 68 174.610 174.610 173.623 0.987 19201 7638 1 20 . 1 1 68 68 PHE CA C 68 57.397 57.397 56.166 1.231 19201 7639 1 20 . 1 1 68 68 PHE CB C 68 39.724 39.724 40.212 -0.488 19201 7640 1 20 . 1 1 68 68 PHE H H 68 8.208 8.208 7.326 0.882 19201 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 60 2.904 -0.767 2.825 19201 2 1 1 "Average Difference" HA 67 0.350 0.071 0.346 19201 3 1 1 "Average Difference" C 61 0.781 0.017 0.788 19201 4 1 1 "Average Difference" CA 67 1.296 -0.117 1.300 19201 5 1 1 "Average Difference" CB 67 1.314 -0.220 1.305 19201 6 1 1 "Average Difference" HN 60 0.458 -0.018 0.462 19201 7 1 2 "Average Difference" N 60 3.076 -0.654 3.031 19201 8 1 2 "Average Difference" HA 67 0.270 0.071 0.262 19201 9 1 2 "Average Difference" C 61 0.757 -0.033 0.763 19201 10 1 2 "Average Difference" CA 67 1.139 -0.180 1.133 19201 11 1 2 "Average Difference" CB 67 1.360 -0.204 1.354 19201 12 1 2 "Average Difference" HN 60 0.466 -0.058 0.466 19201 13 1 3 "Average Difference" N 60 2.800 -0.847 2.691 19201 14 1 3 "Average Difference" HA 67 0.272 0.084 0.260 19201 15 1 3 "Average Difference" C 61 0.851 -0.019 0.858 19201 16 1 3 "Average Difference" CA 67 1.174 -0.134 1.175 19201 17 1 3 "Average Difference" CB 67 1.355 -0.156 1.356 19201 18 1 3 "Average Difference" HN 60 0.414 -0.014 0.418 19201 19 1 4 "Average Difference" N 60 3.084 -0.893 2.977 19201 20 1 4 "Average Difference" HA 67 0.244 0.071 0.235 19201 21 1 4 "Average Difference" C 61 0.768 -0.005 0.774 19201 22 1 4 "Average Difference" CA 67 1.088 -0.235 1.071 19201 23 1 4 "Average Difference" CB 67 1.421 -0.227 1.414 19201 24 1 4 "Average Difference" HN 60 0.465 -0.047 0.466 19201 25 1 5 "Average Difference" N 60 2.727 -0.786 2.633 19201 26 1 5 "Average Difference" HA 67 0.263 0.069 0.256 19201 27 1 5 "Average Difference" C 61 0.743 0.021 0.749 19201 28 1 5 "Average Difference" CA 67 1.156 -0.078 1.162 19201 29 1 5 "Average Difference" CB 67 1.426 -0.215 1.421 19201 30 1 5 "Average Difference" HN 60 0.490 -0.027 0.494 19201 31 1 6 "Average Difference" N 60 2.996 -1.083 2.817 19201 32 1 6 "Average Difference" HA 67 0.301 0.062 0.297 19201 33 1 6 "Average Difference" C 61 0.750 -0.019 0.756 19201 34 1 6 "Average Difference" CA 67 1.170 -0.101 1.174 19201 35 1 6 "Average Difference" CB 67 1.413 -0.247 1.401 19201 36 1 6 "Average Difference" HN 60 0.484 -0.035 0.486 19201 37 1 7 "Average Difference" N 60 3.252 -0.994 3.123 19201 38 1 7 "Average Difference" HA 67 0.281 0.102 0.264 19201 39 1 7 "Average Difference" C 61 0.741 -0.078 0.743 19201 40 1 7 "Average Difference" CA 67 1.212 -0.174 1.208 19201 41 1 7 "Average Difference" CB 67 1.365 -0.070 1.373 19201 42 1 7 "Average Difference" HN 60 0.447 0.008 0.450 19201 43 1 8 "Average Difference" N 60 2.738 -0.412 2.729 19201 44 1 8 "Average Difference" HA 67 0.286 0.060 0.282 19201 45 1 8 "Average Difference" C 61 0.684 0.068 0.686 19201 46 1 8 "Average Difference" CA 67 1.228 -0.122 1.231 19201 47 1 8 "Average Difference" CB 67 1.336 -0.245 1.324 19201 48 1 8 "Average Difference" HN 60 0.463 0.001 0.467 19201 49 1 9 "Average Difference" N 60 2.711 -0.942 2.564 19201 50 1 9 "Average Difference" HA 67 0.272 0.059 0.267 19201 51 1 9 "Average Difference" C 61 0.710 0.005 0.716 19201 52 1 9 "Average Difference" CA 67 1.104 -0.121 1.105 19201 53 1 9 "Average Difference" CB 67 1.391 -0.228 1.382 19201 54 1 9 "Average Difference" HN 60 0.438 -0.024 0.441 19201 55 1 10 "Average Difference" N 60 2.639 -0.567 2.599 19201 56 1 10 "Average Difference" HA 67 0.267 0.070 0.259 19201 57 1 10 "Average Difference" C 61 0.747 -0.065 0.751 19201 58 1 10 "Average Difference" CA 67 1.081 -0.221 1.066 19201 59 1 10 "Average Difference" CB 67 1.337 -0.217 1.329 19201 60 1 10 "Average Difference" HN 60 0.422 -0.043 0.423 19201 61 1 11 "Average Difference" N 60 2.913 -0.919 2.788 19201 62 1 11 "Average Difference" HA 67 0.253 0.086 0.239 19201 63 1 11 "Average Difference" C 61 0.736 -0.018 0.742 19201 64 1 11 "Average Difference" CA 67 1.073 -0.141 1.072 19201 65 1 11 "Average Difference" CB 67 1.287 -0.212 1.279 19201 66 1 11 "Average Difference" HN 60 0.457 -0.055 0.458 19201 67 1 12 "Average Difference" N 60 2.655 -0.663 2.593 19201 68 1 12 "Average Difference" HA 67 0.296 0.094 0.283 19201 69 1 12 "Average Difference" C 61 0.765 0.016 0.771 19201 70 1 12 "Average Difference" CA 67 1.090 -0.100 1.094 19201 71 1 12 "Average Difference" CB 67 1.301 -0.230 1.290 19201 72 1 12 "Average Difference" HN 60 0.450 -0.061 0.450 19201 73 1 13 "Average Difference" N 60 2.584 -0.476 2.561 19201 74 1 13 "Average Difference" HA 67 0.274 0.076 0.265 19201 75 1 13 "Average Difference" C 61 0.736 -0.060 0.740 19201 76 1 13 "Average Difference" CA 67 1.206 -0.150 1.205 19201 77 1 13 "Average Difference" CB 67 1.362 -0.211 1.356 19201 78 1 13 "Average Difference" HN 60 0.428 -0.055 0.428 19201 79 1 14 "Average Difference" N 60 2.881 -1.066 2.699 19201 80 1 14 "Average Difference" HA 67 0.299 0.080 0.291 19201 81 1 14 "Average Difference" C 61 0.683 -0.069 0.685 19201 82 1 14 "Average Difference" CA 67 1.138 -0.111 1.141 19201 83 1 14 "Average Difference" CB 67 1.345 -0.274 1.327 19201 84 1 14 "Average Difference" HN 60 0.440 -0.066 0.439 19201 85 1 15 "Average Difference" N 60 2.630 -0.735 2.547 19201 86 1 15 "Average Difference" HA 67 0.297 0.056 0.294 19201 87 1 15 "Average Difference" C 61 0.704 -0.029 0.709 19201 88 1 15 "Average Difference" CA 67 1.083 -0.019 1.091 19201 89 1 15 "Average Difference" CB 67 1.477 -0.202 1.474 19201 90 1 15 "Average Difference" HN 60 0.427 0.020 0.431 19201 91 1 16 "Average Difference" N 60 3.009 -0.742 2.941 19201 92 1 16 "Average Difference" HA 67 0.278 0.073 0.271 19201 93 1 16 "Average Difference" C 61 0.818 0.017 0.824 19201 94 1 16 "Average Difference" CA 67 1.085 -0.029 1.093 19201 95 1 16 "Average Difference" CB 67 1.277 -0.061 1.285 19201 96 1 16 "Average Difference" HN 60 0.411 -0.036 0.413 19201 97 1 17 "Average Difference" N 60 3.262 -1.450 2.947 19201 98 1 17 "Average Difference" HA 67 0.257 0.043 0.255 19201 99 1 17 "Average Difference" C 61 0.688 0.036 0.692 19201 100 1 17 "Average Difference" CA 67 1.058 -0.075 1.064 19201 101 1 17 "Average Difference" CB 67 1.379 -0.326 1.350 19201 102 1 17 "Average Difference" HN 60 0.453 -0.039 0.455 19201 103 1 18 "Average Difference" N 60 2.917 -0.957 2.779 19201 104 1 18 "Average Difference" HA 67 0.308 0.027 0.309 19201 105 1 18 "Average Difference" C 61 0.873 0.048 0.879 19201 106 1 18 "Average Difference" CA 67 1.329 0.017 1.339 19201 107 1 18 "Average Difference" CB 67 1.485 -0.282 1.469 19201 108 1 18 "Average Difference" HN 60 0.403 0.010 0.407 19201 109 1 19 "Average Difference" N 60 2.916 -0.635 2.870 19201 110 1 19 "Average Difference" HA 67 0.310 0.089 0.299 19201 111 1 19 "Average Difference" C 61 0.766 -0.005 0.773 19201 112 1 19 "Average Difference" CA 67 1.199 -0.068 1.206 19201 113 1 19 "Average Difference" CB 67 1.369 -0.190 1.366 19201 114 1 19 "Average Difference" HN 60 0.441 0.025 0.444 19201 115 1 20 "Average Difference" N 60 3.127 -0.636 3.088 19201 116 1 20 "Average Difference" HA 67 0.267 0.056 0.263 19201 117 1 20 "Average Difference" C 61 0.657 -0.097 0.655 19201 118 1 20 "Average Difference" CA 67 1.027 -0.096 1.031 19201 119 1 20 "Average Difference" CB 67 1.423 -0.176 1.423 19201 120 1 20 "Average Difference" HN 60 0.481 -0.028 0.484 19201 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 19201 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 2 4.431 4.431 4.495 -0.064 19201 2 1 . 1 1 2 2 PRO C C 2 176.542 176.542 176.169 0.373 19201 3 1 . 1 1 2 2 PRO CA C 2 62.968 62.968 63.179 -0.211 19201 4 1 . 1 1 2 2 PRO CB C 2 32.299 32.299 32.094 0.205 19201 5 1 . 1 1 3 3 HIS N N 3 119.528 119.528 119.462 0.067 19201 6 1 . 1 1 3 3 HIS HA H 3 4.643 4.643 4.553 0.090 19201 7 1 . 1 1 3 3 HIS C C 3 174.598 174.598 174.640 -0.042 19201 8 1 . 1 1 3 3 HIS CA C 3 55.726 55.726 56.106 -0.380 19201 9 1 . 1 1 3 3 HIS CB C 3 29.495 29.495 30.264 -0.769 19201 10 1 . 1 1 3 3 HIS H H 3 8.651 8.651 8.323 0.328 19201 11 1 . 1 1 4 4 MET N N 4 122.541 122.541 121.297 1.244 19201 12 1 . 1 1 4 4 MET HA H 4 4.474 4.474 4.455 0.019 19201 13 1 . 1 1 4 4 MET C C 4 175.419 175.419 174.747 0.672 19201 14 1 . 1 1 4 4 MET CA C 4 55.207 55.207 55.049 0.158 19201 15 1 . 1 1 4 4 MET CB C 4 33.158 33.158 32.997 0.161 19201 16 1 . 1 1 4 4 MET H H 4 8.403 8.403 8.194 0.209 19201 17 1 . 1 1 5 5 ASP N N 5 122.333 122.333 123.370 -1.037 19201 18 1 . 1 1 5 5 ASP HA H 5 4.625 4.625 4.694 -0.069 19201 19 1 . 1 1 5 5 ASP C C 5 175.734 175.734 174.708 1.026 19201 20 1 . 1 1 5 5 ASP CA C 5 54.259 54.259 54.341 -0.082 19201 21 1 . 1 1 5 5 ASP CB C 5 41.323 41.323 41.763 -0.440 19201 22 1 . 1 1 5 5 ASP H H 5 8.513 8.513 8.375 0.138 19201 23 1 . 1 1 6 6 VAL N N 6 118.762 118.762 121.410 -2.648 19201 24 1 . 1 1 6 6 VAL HA H 6 4.145 4.145 4.430 -0.285 19201 25 1 . 1 1 6 6 VAL C C 6 175.686 175.686 174.965 0.721 19201 26 1 . 1 1 6 6 VAL CA C 6 61.855 61.855 61.331 0.524 19201 27 1 . 1 1 6 6 VAL CB C 6 32.997 32.997 32.143 0.854 19201 28 1 . 1 1 6 6 VAL H H 6 8.011 8.011 8.113 -0.102 19201 29 1 . 1 1 7 7 HIS N N 7 121.430 121.430 119.093 2.337 19201 30 1 . 1 1 7 7 HIS HA H 7 4.499 4.499 4.624 -0.125 19201 31 1 . 1 1 7 7 HIS C C 7 174.456 174.456 174.834 -0.378 19201 32 1 . 1 1 7 7 HIS CA C 7 56.097 56.097 56.336 -0.239 19201 33 1 . 1 1 7 7 HIS CB C 7 30.624 30.624 29.747 0.877 19201 34 1 . 1 1 7 7 HIS H H 7 8.323 8.323 8.096 0.227 19201 35 1 . 1 1 8 8 LYS N N 8 122.591 122.591 121.744 0.847 19201 36 1 . 1 1 8 8 LYS HA H 8 4.321 4.321 4.451 -0.130 19201 37 1 . 1 1 8 8 LYS C C 8 174.443 174.443 174.935 -0.492 19201 38 1 . 1 1 8 8 LYS CA C 8 55.896 55.896 55.050 0.846 19201 39 1 . 1 1 8 8 LYS CB C 8 33.984 33.984 31.966 2.018 19201 40 1 . 1 1 8 8 LYS H H 8 8.515 8.515 8.009 0.506 19201 41 1 . 1 1 9 9 LYS N N 9 124.787 124.787 122.664 2.123 19201 42 1 . 1 1 9 9 LYS HA H 9 5.178 5.178 5.286 -0.108 19201 43 1 . 1 1 9 9 LYS C C 9 176.374 176.374 176.513 -0.139 19201 44 1 . 1 1 9 9 LYS CA C 9 54.570 54.570 54.533 0.037 19201 45 1 . 1 1 9 9 LYS CB C 9 35.487 35.487 34.471 1.016 19201 46 1 . 1 1 9 9 LYS H H 9 8.383 8.383 8.211 0.172 19201 47 1 . 1 1 10 10 CYS N N 10 129.698 129.698 125.337 4.361 19201 48 1 . 1 1 10 10 CYS HA H 10 4.816 4.816 4.719 0.098 19201 49 1 . 1 1 10 10 CYS CA C 10 57.960 57.960 57.612 0.348 19201 50 1 . 1 1 10 10 CYS CB C 10 30.731 30.731 26.893 3.838 19201 51 1 . 1 1 10 10 CYS H H 10 8.999 8.999 8.889 0.110 19201 52 1 . 1 1 11 11 PRO HA H 11 4.582 4.582 4.409 0.173 19201 53 1 . 1 1 11 11 PRO C C 11 177.219 177.219 176.324 0.895 19201 54 1 . 1 1 11 11 PRO CA C 11 64.201 64.201 65.053 -0.852 19201 55 1 . 1 1 11 11 PRO CB C 11 32.321 32.321 31.635 0.686 19201 56 1 . 1 1 12 12 LEU N N 12 121.846 121.846 117.058 4.788 19201 57 1 . 1 1 12 12 LEU HA H 12 4.406 4.406 4.423 -0.017 19201 58 1 . 1 1 12 12 LEU C C 12 176.492 176.492 177.863 -1.371 19201 59 1 . 1 1 12 12 LEU CA C 12 55.144 55.144 55.737 -0.593 19201 60 1 . 1 1 12 12 LEU CB C 12 43.242 43.242 41.634 1.608 19201 61 1 . 1 1 12 12 LEU H H 12 9.347 9.347 7.946 1.401 19201 62 1 . 1 1 13 13 CYS N N 13 119.509 119.509 113.475 6.034 19201 63 1 . 1 1 13 13 CYS HA H 13 4.941 4.941 4.703 0.238 19201 64 1 . 1 1 13 13 CYS C C 13 173.792 173.792 175.142 -1.350 19201 65 1 . 1 1 13 13 CYS CA C 13 58.541 58.541 58.266 0.275 19201 66 1 . 1 1 13 13 CYS CB C 13 30.889 30.889 29.874 1.016 19201 67 1 . 1 1 13 13 CYS H H 13 7.879 7.879 7.725 0.154 19201 68 1 . 1 1 14 14 GLU N N 14 114.443 114.443 118.091 -3.648 19201 69 1 . 1 1 14 14 GLU HA H 14 4.164 4.164 4.083 0.081 19201 70 1 . 1 1 14 14 GLU C C 14 175.831 175.831 175.221 0.609 19201 71 1 . 1 1 14 14 GLU CA C 14 57.399 57.399 57.040 0.359 19201 72 1 . 1 1 14 14 GLU CB C 14 28.737 28.737 27.414 1.323 19201 73 1 . 1 1 14 14 GLU H H 14 8.112 8.112 8.524 -0.412 19201 74 1 . 1 1 15 15 LEU N N 15 124.338 124.338 121.152 3.186 19201 75 1 . 1 1 15 15 LEU HA H 15 3.868 3.868 4.351 -0.483 19201 76 1 . 1 1 15 15 LEU C C 15 174.900 174.900 175.667 -0.767 19201 77 1 . 1 1 15 15 LEU CA C 15 57.105 57.105 54.835 2.270 19201 78 1 . 1 1 15 15 LEU CB C 15 43.170 43.170 43.472 -0.302 19201 79 1 . 1 1 15 15 LEU H H 15 8.403 8.403 7.568 0.835 19201 80 1 . 1 1 16 16 MET N N 16 121.138 121.138 123.874 -2.736 19201 81 1 . 1 1 16 16 MET HA H 16 4.964 4.964 4.808 0.156 19201 82 1 . 1 1 16 16 MET C C 16 175.457 175.457 175.293 0.164 19201 83 1 . 1 1 16 16 MET CA C 16 53.699 53.699 55.165 -1.466 19201 84 1 . 1 1 16 16 MET CB C 16 34.779 34.779 33.881 0.898 19201 85 1 . 1 1 16 16 MET H H 16 7.738 7.738 8.177 -0.439 19201 86 1 . 1 1 17 17 PHE N N 17 122.417 122.417 125.044 -2.627 19201 87 1 . 1 1 17 17 PHE HA H 17 4.534 4.534 4.988 -0.454 19201 88 1 . 1 1 17 17 PHE CA C 17 55.570 55.570 55.530 0.040 19201 89 1 . 1 1 17 17 PHE CB C 17 39.801 39.801 39.885 -0.085 19201 90 1 . 1 1 17 17 PHE H H 17 8.868 8.868 8.844 0.024 19201 91 1 . 1 1 18 18 PRO HA H 18 4.557 4.557 5.058 -0.501 19201 92 1 . 1 1 18 18 PRO CA C 18 61.596 61.596 60.666 0.930 19201 93 1 . 1 1 18 18 PRO CB C 18 31.065 31.065 31.775 -0.710 19201 94 1 . 1 1 19 19 PRO HA H 19 4.221 4.221 4.441 -0.220 19201 95 1 . 1 1 19 19 PRO C C 19 176.899 176.899 176.080 0.819 19201 96 1 . 1 1 19 19 PRO CA C 19 64.173 64.173 64.088 0.085 19201 97 1 . 1 1 19 19 PRO CB C 19 31.830 31.830 31.035 0.795 19201 98 1 . 1 1 20 20 ASN N N 20 113.731 113.731 116.049 -2.318 19201 99 1 . 1 1 20 20 ASN HA H 20 4.561 4.561 4.704 -0.143 19201 100 1 . 1 1 20 20 ASN C C 20 174.737 174.737 175.086 -0.349 19201 101 1 . 1 1 20 20 ASN CA C 20 52.884 52.884 52.782 0.102 19201 102 1 . 1 1 20 20 ASN CB C 20 37.271 37.271 39.114 -1.843 19201 103 1 . 1 1 20 20 ASN H H 20 8.330 8.330 8.262 0.068 19201 104 1 . 1 1 21 21 TYR N N 21 121.548 121.548 120.607 0.941 19201 105 1 . 1 1 21 21 TYR HA H 21 4.204 4.204 4.644 -0.440 19201 106 1 . 1 1 21 21 TYR C C 21 174.916 174.916 174.702 0.214 19201 107 1 . 1 1 21 21 TYR CA C 21 58.941 58.941 57.067 1.874 19201 108 1 . 1 1 21 21 TYR CB C 21 39.454 39.454 39.321 0.133 19201 109 1 . 1 1 21 21 TYR H H 21 7.666 7.666 7.896 -0.230 19201 110 1 . 1 1 22 22 ASP N N 22 126.191 126.191 121.742 4.449 19201 111 1 . 1 1 22 22 ASP HA H 22 4.264 4.264 4.616 -0.352 19201 112 1 . 1 1 22 22 ASP C C 22 176.536 176.536 176.686 -0.149 19201 113 1 . 1 1 22 22 ASP CA C 22 54.927 54.927 52.776 2.151 19201 114 1 . 1 1 22 22 ASP CB C 22 42.327 42.327 43.197 -0.871 19201 115 1 . 1 1 22 22 ASP H H 22 7.832 7.832 8.464 -0.632 19201 116 1 . 1 1 23 23 GLN N N 23 127.794 127.794 123.874 3.920 19201 117 1 . 1 1 23 23 GLN HA H 23 3.990 3.990 4.145 -0.155 19201 118 1 . 1 1 23 23 GLN C C 23 178.011 178.011 178.068 -0.057 19201 119 1 . 1 1 23 23 GLN CA C 23 58.955 58.955 59.166 -0.211 19201 120 1 . 1 1 23 23 GLN CB C 23 27.982 27.982 28.706 -0.724 19201 121 1 . 1 1 23 23 GLN H H 23 8.891 8.891 8.847 0.044 19201 122 1 . 1 1 24 24 SER N N 24 115.542 115.542 114.235 1.306 19201 123 1 . 1 1 24 24 SER HA H 24 4.298 4.298 4.327 -0.029 19201 124 1 . 1 1 24 24 SER C C 24 177.419 177.419 176.257 1.162 19201 125 1 . 1 1 24 24 SER CA C 24 61.975 61.975 61.596 0.379 19201 126 1 . 1 1 24 24 SER CB C 24 61.975 61.975 62.882 -0.907 19201 127 1 . 1 1 24 24 SER H H 24 8.479 8.479 8.780 -0.301 19201 128 1 . 1 1 25 25 LYS N N 25 123.099 123.099 122.356 0.743 19201 129 1 . 1 1 25 25 LYS HA H 25 4.179 4.179 4.295 -0.116 19201 130 1 . 1 1 25 25 LYS C C 25 180.064 180.064 178.957 1.107 19201 131 1 . 1 1 25 25 LYS CA C 25 58.305 58.305 58.401 -0.096 19201 132 1 . 1 1 25 25 LYS CB C 25 31.671 31.671 32.013 -0.342 19201 133 1 . 1 1 25 25 LYS H H 25 7.734 7.734 7.650 0.084 19201 134 1 . 1 1 26 26 PHE N N 26 123.746 123.746 121.440 2.306 19201 135 1 . 1 1 26 26 PHE HA H 26 3.850 3.850 3.890 -0.040 19201 136 1 . 1 1 26 26 PHE C C 26 176.469 176.469 176.770 -0.301 19201 137 1 . 1 1 26 26 PHE CA C 26 61.759 61.759 61.098 0.661 19201 138 1 . 1 1 26 26 PHE CB C 26 39.163 39.163 38.973 0.190 19201 139 1 . 1 1 26 26 PHE H H 26 8.414 8.414 8.469 -0.055 19201 140 1 . 1 1 27 27 GLU N N 27 118.957 118.957 118.516 0.441 19201 141 1 . 1 1 27 27 GLU HA H 27 3.741 3.741 3.691 0.050 19201 142 1 . 1 1 27 27 GLU C C 27 178.777 178.777 178.864 -0.087 19201 143 1 . 1 1 27 27 GLU CA C 27 59.617 59.617 59.434 0.183 19201 144 1 . 1 1 27 27 GLU CB C 27 28.682 28.682 29.150 -0.468 19201 145 1 . 1 1 27 27 GLU H H 27 8.497 8.497 8.016 0.481 19201 146 1 . 1 1 28 28 GLU N N 28 118.812 118.812 118.213 0.599 19201 147 1 . 1 1 28 28 GLU HA H 28 3.921 3.921 3.996 -0.075 19201 148 1 . 1 1 28 28 GLU C C 28 179.241 179.241 178.257 0.984 19201 149 1 . 1 1 28 28 GLU CA C 28 59.245 59.245 58.984 0.261 19201 150 1 . 1 1 28 28 GLU CB C 28 29.759 29.759 29.291 0.468 19201 151 1 . 1 1 28 28 GLU H H 28 7.967 7.967 8.279 -0.312 19201 152 1 . 1 1 29 29 HIS N N 29 118.117 118.117 119.329 -1.212 19201 153 1 . 1 1 29 29 HIS HA H 29 4.143 4.143 4.372 -0.229 19201 154 1 . 1 1 29 29 HIS C C 29 178.484 178.484 177.285 1.199 19201 155 1 . 1 1 29 29 HIS CA C 29 60.355 60.355 58.560 1.795 19201 156 1 . 1 1 29 29 HIS CB C 29 27.061 27.061 30.390 -3.329 19201 157 1 . 1 1 29 29 HIS H H 29 7.791 7.791 7.437 0.354 19201 158 1 . 1 1 30 30 VAL N N 30 122.416 122.416 119.828 2.588 19201 159 1 . 1 1 30 30 VAL HA H 30 3.408 3.408 3.533 -0.125 19201 160 1 . 1 1 30 30 VAL C C 30 178.303 178.303 177.765 0.538 19201 161 1 . 1 1 30 30 VAL CA C 30 67.875 67.875 66.156 1.719 19201 162 1 . 1 1 30 30 VAL CB C 30 31.767 31.767 31.392 0.375 19201 163 1 . 1 1 30 30 VAL H H 30 8.202 8.202 7.835 0.367 19201 164 1 . 1 1 31 31 GLU N N 31 115.746 115.746 117.574 -1.828 19201 165 1 . 1 1 31 31 GLU HA H 31 3.725 3.725 3.005 0.720 19201 166 1 . 1 1 31 31 GLU C C 31 178.071 178.071 177.604 0.467 19201 167 1 . 1 1 31 31 GLU CA C 31 58.027 58.027 58.016 0.011 19201 168 1 . 1 1 31 31 GLU CB C 31 28.771 28.771 28.767 0.005 19201 169 1 . 1 1 31 31 GLU H H 31 7.969 7.969 8.207 -0.238 19201 170 1 . 1 1 32 32 SER N N 32 115.845 115.845 113.521 2.324 19201 171 1 . 1 1 32 32 SER HA H 32 4.223 4.223 4.247 -0.024 19201 172 1 . 1 1 32 32 SER C C 32 174.855 174.855 175.235 -0.380 19201 173 1 . 1 1 32 32 SER CA C 32 60.645 60.645 60.303 0.342 19201 174 1 . 1 1 32 32 SER CB C 32 62.815 62.815 63.252 -0.437 19201 175 1 . 1 1 32 32 SER H H 32 7.584 7.584 7.398 0.186 19201 176 1 . 1 1 33 33 HIS N N 33 118.635 118.635 118.698 -0.063 19201 177 1 . 1 1 33 33 HIS HA H 33 4.449 4.449 4.506 -0.057 19201 178 1 . 1 1 33 33 HIS C C 33 175.524 175.524 176.028 -0.504 19201 179 1 . 1 1 33 33 HIS CA C 33 57.026 57.026 58.171 -1.145 19201 180 1 . 1 1 33 33 HIS CB C 33 29.303 29.303 30.489 -1.186 19201 181 1 . 1 1 33 33 HIS H H 33 7.286 7.286 7.599 -0.313 19201 182 1 . 1 1 34 34 TRP N N 34 121.219 121.219 120.171 1.048 19201 183 1 . 1 1 34 34 TRP HA H 34 4.336 4.336 4.840 -0.504 19201 184 1 . 1 1 34 34 TRP C C 34 175.644 175.644 176.743 -1.099 19201 185 1 . 1 1 34 34 TRP CA C 34 58.324 58.324 56.009 2.315 19201 186 1 . 1 1 34 34 TRP CB C 34 29.262 29.262 28.490 0.772 19201 187 1 . 1 1 34 34 TRP H H 34 7.949 7.949 7.542 0.407 19201 188 1 . 1 1 35 35 LYS N N 35 122.872 122.872 124.050 -1.178 19201 189 1 . 1 1 35 35 LYS HA H 35 4.340 4.340 4.177 0.163 19201 190 1 . 1 1 35 35 LYS C C 35 175.286 175.286 175.838 -0.552 19201 191 1 . 1 1 35 35 LYS CA C 35 55.606 55.606 54.796 0.810 19201 192 1 . 1 1 35 35 LYS CB C 35 33.385 33.385 31.414 1.971 19201 193 1 . 1 1 35 35 LYS H H 35 8.581 8.581 8.669 -0.088 19201 194 1 . 1 1 36 36 VAL N N 36 122.386 122.386 125.341 -2.955 19201 195 1 . 1 1 36 36 VAL HA H 36 4.931 4.931 4.720 0.211 19201 196 1 . 1 1 36 36 VAL C C 36 176.320 176.320 176.068 0.252 19201 197 1 . 1 1 36 36 VAL CA C 36 60.355 60.355 60.361 -0.006 19201 198 1 . 1 1 36 36 VAL CB C 36 34.607 34.607 33.445 1.162 19201 199 1 . 1 1 36 36 VAL H H 36 8.313 8.313 8.317 -0.004 19201 200 1 . 1 1 37 37 CYS N N 37 130.378 130.378 129.233 1.145 19201 201 1 . 1 1 37 37 CYS HA H 37 4.904 4.904 5.135 -0.231 19201 202 1 . 1 1 37 37 CYS CA C 37 57.460 57.460 56.257 1.203 19201 203 1 . 1 1 37 37 CYS CB C 37 30.638 30.638 28.173 2.465 19201 204 1 . 1 1 37 37 CYS H H 37 9.165 9.165 9.227 -0.062 19201 205 1 . 1 1 38 38 PRO HA H 38 4.583 4.583 4.405 0.178 19201 206 1 . 1 1 38 38 PRO C C 38 176.933 176.933 176.952 -0.019 19201 207 1 . 1 1 38 38 PRO CA C 38 64.220 64.220 65.580 -1.360 19201 208 1 . 1 1 38 38 PRO CB C 38 32.315 32.315 31.924 0.391 19201 209 1 . 1 1 39 39 MET N N 39 119.180 119.180 114.739 4.441 19201 210 1 . 1 1 39 39 MET HA H 39 4.534 4.534 4.512 0.022 19201 211 1 . 1 1 39 39 MET C C 39 176.454 176.454 176.966 -0.512 19201 212 1 . 1 1 39 39 MET CA C 39 55.971 55.971 56.665 -0.694 19201 213 1 . 1 1 39 39 MET CB C 39 32.539 32.539 33.203 -0.664 19201 214 1 . 1 1 39 39 MET H H 39 9.054 9.054 7.965 1.089 19201 215 1 . 1 1 40 40 CYS N N 40 118.414 118.414 116.982 1.432 19201 216 1 . 1 1 40 40 CYS HA H 40 5.023 5.023 4.626 0.397 19201 217 1 . 1 1 40 40 CYS C C 40 175.288 175.288 175.577 -0.289 19201 218 1 . 1 1 40 40 CYS CA C 40 58.570 58.570 58.763 -0.192 19201 219 1 . 1 1 40 40 CYS CB C 40 31.701 31.701 28.500 3.201 19201 220 1 . 1 1 40 40 CYS H H 40 8.096 8.096 7.848 0.248 19201 221 1 . 1 1 41 41 SER N N 41 113.638 113.638 113.969 -0.331 19201 222 1 . 1 1 41 41 SER HA H 41 4.291 4.291 4.260 0.031 19201 223 1 . 1 1 41 41 SER C C 41 173.193 173.193 173.161 0.032 19201 224 1 . 1 1 41 41 SER CA C 41 60.401 60.401 59.730 0.671 19201 225 1 . 1 1 41 41 SER CB C 41 62.177 62.177 61.873 0.304 19201 226 1 . 1 1 41 41 SER H H 41 7.916 7.916 8.571 -0.655 19201 227 1 . 1 1 42 42 GLU N N 42 124.849 124.849 120.100 4.749 19201 228 1 . 1 1 42 42 GLU HA H 42 3.919 3.919 4.488 -0.569 19201 229 1 . 1 1 42 42 GLU C C 42 174.373 174.373 175.124 -0.751 19201 230 1 . 1 1 42 42 GLU CA C 42 58.350 58.350 55.024 3.326 19201 231 1 . 1 1 42 42 GLU CB C 42 29.652 29.652 31.564 -1.912 19201 232 1 . 1 1 42 42 GLU H H 42 8.483 8.483 8.028 0.455 19201 233 1 . 1 1 43 43 GLN N N 43 122.061 122.061 122.824 -0.763 19201 234 1 . 1 1 43 43 GLN HA H 43 5.042 5.042 4.709 0.333 19201 235 1 . 1 1 43 43 GLN C C 43 175.251 175.251 175.161 0.090 19201 236 1 . 1 1 43 43 GLN CA C 43 54.394 54.394 55.043 -0.649 19201 237 1 . 1 1 43 43 GLN CB C 43 31.222 31.222 30.489 0.733 19201 238 1 . 1 1 43 43 GLN H H 43 8.047 8.047 8.676 -0.629 19201 239 1 . 1 1 44 44 PHE N N 44 122.827 122.827 124.093 -1.266 19201 240 1 . 1 1 44 44 PHE HA H 44 4.678 4.678 4.673 0.005 19201 241 1 . 1 1 44 44 PHE CA C 44 54.994 54.994 55.660 -0.666 19201 242 1 . 1 1 44 44 PHE CB C 44 39.908 39.908 39.859 0.049 19201 243 1 . 1 1 44 44 PHE H H 44 9.312 9.312 8.984 0.328 19201 244 1 . 1 1 45 45 PRO HA H 45 3.531 3.531 4.097 -0.566 19201 245 1 . 1 1 45 45 PRO CA C 45 61.211 61.211 61.648 -0.437 19201 246 1 . 1 1 45 45 PRO CB C 45 30.889 30.889 31.061 -0.172 19201 247 1 . 1 1 46 46 PRO HA H 46 4.164 4.164 4.454 -0.290 19201 248 1 . 1 1 46 46 PRO C C 46 176.621 176.621 176.883 -0.262 19201 249 1 . 1 1 46 46 PRO CA C 46 64.451 64.451 65.041 -0.590 19201 250 1 . 1 1 46 46 PRO CB C 46 31.890 31.890 31.934 -0.044 19201 251 1 . 1 1 47 47 ASP N N 47 113.411 113.411 115.690 -2.279 19201 252 1 . 1 1 47 47 ASP HA H 47 4.476 4.476 4.531 -0.055 19201 253 1 . 1 1 47 47 ASP C C 47 175.831 175.831 175.775 0.056 19201 254 1 . 1 1 47 47 ASP CA C 47 52.883 52.883 54.231 -1.348 19201 255 1 . 1 1 47 47 ASP CB C 47 39.551 39.551 40.466 -0.915 19201 256 1 . 1 1 47 47 ASP H H 47 8.028 8.028 8.277 -0.249 19201 257 1 . 1 1 48 48 TYR N N 48 122.527 122.527 121.268 1.259 19201 258 1 . 1 1 48 48 TYR HA H 48 4.203 4.203 4.363 -0.160 19201 259 1 . 1 1 48 48 TYR C C 48 175.189 175.189 174.868 0.321 19201 260 1 . 1 1 48 48 TYR CA C 48 58.809 58.809 58.781 0.028 19201 261 1 . 1 1 48 48 TYR CB C 48 39.307 39.307 39.210 0.097 19201 262 1 . 1 1 48 48 TYR H H 48 7.812 7.812 7.699 0.113 19201 263 1 . 1 1 49 49 ASP N N 49 125.426 125.426 125.010 0.416 19201 264 1 . 1 1 49 49 ASP HA H 49 4.309 4.309 4.607 -0.298 19201 265 1 . 1 1 49 49 ASP C C 49 176.996 176.996 177.098 -0.102 19201 266 1 . 1 1 49 49 ASP CA C 49 54.877 54.877 54.205 0.672 19201 267 1 . 1 1 49 49 ASP CB C 49 42.305 42.305 42.889 -0.584 19201 268 1 . 1 1 49 49 ASP H H 49 8.012 8.012 8.220 -0.208 19201 269 1 . 1 1 50 50 GLN N N 50 126.958 126.958 124.360 2.598 19201 270 1 . 1 1 50 50 GLN HA H 50 3.989 3.989 4.108 -0.119 19201 271 1 . 1 1 50 50 GLN C C 50 177.779 177.779 178.173 -0.394 19201 272 1 . 1 1 50 50 GLN CA C 50 58.918 58.918 59.447 -0.529 19201 273 1 . 1 1 50 50 GLN CB C 50 28.258 28.258 28.752 -0.494 19201 274 1 . 1 1 50 50 GLN H H 50 8.873 8.873 8.875 -0.001 19201 275 1 . 1 1 51 51 GLN N N 51 117.767 117.767 118.616 -0.849 19201 276 1 . 1 1 51 51 GLN HA H 51 4.153 4.153 4.159 -0.006 19201 277 1 . 1 1 51 51 GLN C C 51 179.003 179.003 178.385 0.618 19201 278 1 . 1 1 51 51 GLN CA C 51 59.130 59.130 58.787 0.343 19201 279 1 . 1 1 51 51 GLN CB C 51 28.370 28.370 28.506 -0.136 19201 280 1 . 1 1 51 51 GLN H H 51 8.425 8.425 8.734 -0.309 19201 281 1 . 1 1 52 52 VAL N N 52 122.144 122.144 119.823 2.321 19201 282 1 . 1 1 52 52 VAL HA H 52 3.563 3.563 3.748 -0.185 19201 283 1 . 1 1 52 52 VAL C C 52 179.252 179.252 177.926 1.326 19201 284 1 . 1 1 52 52 VAL CA C 52 66.530 66.530 65.778 0.752 19201 285 1 . 1 1 52 52 VAL CB C 52 31.615 31.615 31.176 0.439 19201 286 1 . 1 1 52 52 VAL H H 52 7.864 7.864 7.553 0.311 19201 287 1 . 1 1 53 53 PHE N N 53 122.104 122.104 121.885 0.219 19201 288 1 . 1 1 53 53 PHE HA H 53 3.776 3.776 4.118 -0.342 19201 289 1 . 1 1 53 53 PHE C C 53 176.497 176.497 176.944 -0.447 19201 290 1 . 1 1 53 53 PHE CA C 53 61.517 61.517 61.337 0.180 19201 291 1 . 1 1 53 53 PHE CB C 53 39.103 39.103 39.228 -0.125 19201 292 1 . 1 1 53 53 PHE H H 53 8.291 8.291 8.675 -0.384 19201 293 1 . 1 1 54 54 GLU N N 54 118.755 118.755 119.204 -0.449 19201 294 1 . 1 1 54 54 GLU HA H 54 3.690 3.690 3.820 -0.130 19201 295 1 . 1 1 54 54 GLU C C 54 179.450 179.450 179.238 0.212 19201 296 1 . 1 1 54 54 GLU CA C 54 59.846 59.846 59.788 0.058 19201 297 1 . 1 1 54 54 GLU CB C 54 28.961 28.961 29.026 -0.065 19201 298 1 . 1 1 54 54 GLU H H 54 8.613 8.613 8.733 -0.120 19201 299 1 . 1 1 55 55 ARG N N 55 119.023 119.023 118.242 0.781 19201 300 1 . 1 1 55 55 ARG HA H 55 4.007 4.007 4.106 -0.099 19201 301 1 . 1 1 55 55 ARG C C 55 178.908 178.908 178.819 0.089 19201 302 1 . 1 1 55 55 ARG CA C 55 59.150 59.150 58.373 0.777 19201 303 1 . 1 1 55 55 ARG CB C 55 29.846 29.846 29.739 0.107 19201 304 1 . 1 1 55 55 ARG H H 55 8.006 8.006 8.082 -0.076 19201 305 1 . 1 1 56 56 HIS N N 56 119.517 119.517 119.886 -0.369 19201 306 1 . 1 1 56 56 HIS HA H 56 4.112 4.112 4.351 -0.239 19201 307 1 . 1 1 56 56 HIS C C 56 178.078 178.078 177.664 0.414 19201 308 1 . 1 1 56 56 HIS CA C 56 60.357 60.357 59.388 0.969 19201 309 1 . 1 1 56 56 HIS CB C 56 26.817 26.817 29.506 -2.689 19201 310 1 . 1 1 56 56 HIS H H 56 7.921 7.921 7.727 0.194 19201 311 1 . 1 1 57 57 VAL N N 57 121.280 121.280 120.211 1.069 19201 312 1 . 1 1 57 57 VAL HA H 57 3.444 3.444 3.560 -0.116 19201 313 1 . 1 1 57 57 VAL C C 57 177.845 177.845 178.336 -0.491 19201 314 1 . 1 1 57 57 VAL CA C 57 67.388 67.388 65.845 1.543 19201 315 1 . 1 1 57 57 VAL CB C 57 31.749 31.749 31.058 0.691 19201 316 1 . 1 1 57 57 VAL H H 57 8.131 8.131 8.016 0.115 19201 317 1 . 1 1 58 58 GLN N N 58 115.274 115.274 117.204 -1.930 19201 318 1 . 1 1 58 58 GLN HA H 58 3.998 3.998 4.252 -0.254 19201 319 1 . 1 1 58 58 GLN C C 58 178.690 178.690 178.365 0.325 19201 320 1 . 1 1 58 58 GLN CA C 58 57.951 57.951 58.322 -0.371 19201 321 1 . 1 1 58 58 GLN CB C 58 28.260 28.260 28.132 0.128 19201 322 1 . 1 1 58 58 GLN H H 58 7.745 7.745 8.286 -0.541 19201 323 1 . 1 1 59 59 THR N N 59 112.271 112.271 112.505 -0.234 19201 324 1 . 1 1 59 59 THR HA H 59 4.078 4.078 4.139 -0.061 19201 325 1 . 1 1 59 59 THR C C 59 176.280 176.280 176.193 0.087 19201 326 1 . 1 1 59 59 THR CA C 59 65.185 65.185 65.418 -0.233 19201 327 1 . 1 1 59 59 THR CB C 59 69.186 69.186 68.694 0.492 19201 328 1 . 1 1 59 59 THR H H 59 7.658 7.658 7.842 -0.184 19201 329 1 . 1 1 60 60 HIS N N 60 117.387 117.387 119.671 -2.284 19201 330 1 . 1 1 60 60 HIS HA H 60 4.362 4.362 4.354 0.008 19201 331 1 . 1 1 60 60 HIS C C 60 175.307 175.307 176.477 -1.170 19201 332 1 . 1 1 60 60 HIS CA C 60 57.055 57.055 58.208 -1.153 19201 333 1 . 1 1 60 60 HIS CB C 60 28.186 28.186 29.639 -1.453 19201 334 1 . 1 1 60 60 HIS H H 60 7.226 7.226 7.721 -0.495 19201 335 1 . 1 1 61 61 PHE N N 61 118.105 118.105 117.522 0.583 19201 336 1 . 1 1 61 61 PHE HA H 61 4.647 4.647 4.435 0.212 19201 337 1 . 1 1 61 61 PHE C C 61 175.798 175.798 176.845 -1.047 19201 338 1 . 1 1 61 61 PHE CA C 61 57.751 57.751 60.102 -2.351 19201 339 1 . 1 1 61 61 PHE CB C 61 39.569 39.569 39.215 0.354 19201 340 1 . 1 1 61 61 PHE H H 61 7.601 7.601 7.686 -0.085 19201 341 1 . 1 1 62 62 ASP N N 62 120.979 120.979 118.949 2.030 19201 342 1 . 1 1 62 62 ASP HA H 62 4.577 4.577 4.533 0.044 19201 343 1 . 1 1 62 62 ASP C C 62 176.531 176.531 177.053 -0.522 19201 344 1 . 1 1 62 62 ASP CA C 62 54.888 54.888 56.280 -1.392 19201 345 1 . 1 1 62 62 ASP CB C 62 41.210 41.210 41.796 -0.586 19201 346 1 . 1 1 62 62 ASP H H 62 8.021 8.021 8.070 -0.049 19201 347 1 . 1 1 63 63 GLN N N 63 120.043 120.043 114.895 5.148 19201 348 1 . 1 1 63 63 GLN HA H 63 4.271 4.271 4.037 0.234 19201 349 1 . 1 1 63 63 GLN C C 63 175.955 175.955 175.435 0.520 19201 350 1 . 1 1 63 63 GLN CA C 63 56.147 56.147 57.150 -1.002 19201 351 1 . 1 1 63 63 GLN CB C 63 29.184 29.184 27.380 1.804 19201 352 1 . 1 1 63 63 GLN H H 63 8.274 8.274 8.302 -0.028 19201 353 1 . 1 1 64 64 ASN N N 64 119.150 119.150 115.658 3.492 19201 354 1 . 1 1 64 64 ASN HA H 64 4.668 4.668 4.542 0.126 19201 355 1 . 1 1 64 64 ASN C C 64 175.159 175.159 175.183 -0.024 19201 356 1 . 1 1 64 64 ASN CA C 64 53.645 53.645 54.310 -0.665 19201 357 1 . 1 1 64 64 ASN CB C 64 38.855 38.855 38.505 0.350 19201 358 1 . 1 1 64 64 ASN H H 64 8.406 8.406 8.325 0.081 19201 359 1 . 1 1 65 65 VAL N N 65 119.684 119.684 116.174 3.510 19201 360 1 . 1 1 65 65 VAL HA H 65 4.039 4.039 3.864 0.175 19201 361 1 . 1 1 65 65 VAL C C 65 175.835 175.835 175.367 0.468 19201 362 1 . 1 1 65 65 VAL CA C 65 62.523 62.523 63.111 -0.588 19201 363 1 . 1 1 65 65 VAL CB C 65 32.584 32.584 30.715 1.869 19201 364 1 . 1 1 65 65 VAL H H 65 7.904 7.904 7.988 -0.084 19201 365 1 . 1 1 66 66 LEU N N 66 124.819 124.819 121.747 3.071 19201 366 1 . 1 1 66 66 LEU HA H 66 4.267 4.267 4.304 -0.037 19201 367 1 . 1 1 66 66 LEU C C 66 176.316 176.316 176.104 0.212 19201 368 1 . 1 1 66 66 LEU CA C 66 54.899 54.899 55.084 -0.185 19201 369 1 . 1 1 66 66 LEU CB C 66 42.404 42.404 40.952 1.452 19201 370 1 . 1 1 66 66 LEU H H 66 8.115 8.115 7.962 0.153 19201 371 1 . 1 1 67 67 ASN N N 67 119.012 119.012 121.106 -2.094 19201 372 1 . 1 1 67 67 ASN HA H 67 4.635 4.635 4.720 -0.085 19201 373 1 . 1 1 67 67 ASN C C 67 174.316 174.316 175.069 -0.753 19201 374 1 . 1 1 67 67 ASN CA C 67 52.964 52.964 53.578 -0.614 19201 375 1 . 1 1 67 67 ASN CB C 67 39.576 39.576 39.134 0.441 19201 376 1 . 1 1 67 67 ASN H H 67 8.057 8.057 8.233 -0.176 19201 377 1 . 1 1 68 68 PHE N N 68 121.187 121.187 121.334 -0.147 19201 378 1 . 1 1 68 68 PHE HA H 68 4.654 4.654 4.514 0.140 19201 379 1 . 1 1 68 68 PHE C C 68 174.610 174.610 174.963 -0.353 19201 380 1 . 1 1 68 68 PHE CA C 68 57.397 57.397 58.534 -1.137 19201 381 1 . 1 1 68 68 PHE CB C 68 39.724 39.724 39.161 0.563 19201 382 1 . 1 1 68 68 PHE H H 68 8.208 8.208 8.302 -0.094 19201 stop_ save_