data_19205 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19205 _Entry.PDB_ID 2M7T 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 19205 _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 CYS N N 2 120.511 120.511 118.399 2.112 19205 2 1 1 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.833 0.040 19205 3 1 1 . 1 1 2 2 CYS CA C 2 53.145 53.145 55.270 -2.125 19205 4 1 1 . 1 1 2 2 CYS CB C 2 41.921 41.921 26.867 15.054 19205 5 1 1 . 1 1 2 2 CYS H H 2 8.866 8.866 8.614 0.252 19205 6 1 1 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.199 0.099 19205 7 1 1 . 1 1 3 3 PRO C C 3 176.294 176.294 175.518 0.776 19205 8 1 1 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.048 0.726 19205 9 1 1 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.284 1.607 19205 10 1 1 . 1 1 4 4 GLN N N 4 118.141 118.141 117.913 0.228 19205 11 1 1 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.654 -0.760 19205 12 1 1 . 1 1 4 4 GLN C C 4 176.143 176.143 175.162 0.981 19205 13 1 1 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.312 0.861 19205 14 1 1 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.765 -1.197 19205 15 1 1 . 1 1 4 4 GLN H H 4 7.648 7.648 8.298 -0.650 19205 16 1 1 . 1 1 5 5 GLY N N 5 108.656 108.656 107.008 1.648 19205 17 1 1 . 1 1 5 5 GLY C C 5 173.733 173.733 173.746 -0.013 19205 18 1 1 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.780 -0.523 19205 19 1 1 . 1 1 5 5 GLY H H 5 7.759 7.759 7.901 -0.142 19205 20 1 1 . 1 1 6 6 ARG N N 6 119.446 119.446 120.543 -1.097 19205 21 1 1 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.852 -0.463 19205 22 1 1 . 1 1 6 6 ARG C C 6 176.780 176.780 178.060 -1.280 19205 23 1 1 . 1 1 6 6 ARG CA C 6 55.538 55.538 53.797 1.741 19205 24 1 1 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.652 -0.109 19205 25 1 1 . 1 1 6 6 ARG H H 6 7.865 7.865 8.147 -0.282 19205 26 1 1 . 1 1 7 7 GLY N N 7 109.318 109.318 109.918 -0.600 19205 27 1 1 . 1 1 7 7 GLY C C 7 174.275 174.275 174.877 -0.602 19205 28 1 1 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.247 -1.227 19205 29 1 1 . 1 1 7 7 GLY H H 7 8.529 8.529 8.598 -0.069 19205 30 1 1 . 1 1 8 8 ASP N N 8 121.036 121.036 120.143 0.893 19205 31 1 1 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.734 -0.179 19205 32 1 1 . 1 1 8 8 ASP C C 8 175.562 175.562 174.716 0.846 19205 33 1 1 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.555 0.193 19205 34 1 1 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.826 -0.767 19205 35 1 1 . 1 1 8 8 ASP H H 8 8.414 8.414 8.674 -0.260 19205 36 1 1 . 1 1 9 9 TRP N N 9 121.704 121.704 122.662 -0.958 19205 37 1 1 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.802 -0.309 19205 38 1 1 . 1 1 9 9 TRP C C 9 175.498 175.498 174.842 0.656 19205 39 1 1 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.792 1.302 19205 40 1 1 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.054 0.755 19205 41 1 1 . 1 1 9 9 TRP H H 9 7.814 7.814 7.595 0.219 19205 42 1 1 . 1 1 10 10 ALA N N 10 128.588 128.588 127.566 1.022 19205 43 1 1 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.414 -0.001 19205 44 1 1 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.711 -0.441 19205 45 1 1 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.537 -0.422 19205 46 1 1 . 1 1 10 10 ALA H H 10 8.163 8.163 8.031 0.132 19205 47 1 1 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.936 -0.605 19205 48 1 1 . 1 1 11 11 PRO C C 11 176.753 176.753 176.748 0.005 19205 49 1 1 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.101 0.895 19205 50 1 1 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.364 0.081 19205 51 1 1 . 1 1 12 12 THR N N 12 119.798 119.798 117.926 1.872 19205 52 1 1 . 1 1 12 12 THR HA H 12 4.512 4.512 4.726 -0.214 19205 53 1 1 . 1 1 12 12 THR C C 12 173.572 173.572 174.697 -1.125 19205 54 1 1 . 1 1 12 12 THR CA C 12 62.099 62.099 62.019 0.080 19205 55 1 1 . 1 1 12 12 THR CB C 12 71.060 71.060 70.240 0.820 19205 56 1 1 . 1 1 12 12 THR H H 12 9.006 9.006 8.603 0.403 19205 57 1 1 . 1 1 13 13 SER N N 13 123.494 123.494 122.423 1.071 19205 58 1 1 . 1 1 13 13 SER HA H 13 4.539 4.539 4.545 -0.006 19205 59 1 1 . 1 1 13 13 SER C C 13 172.953 172.953 174.620 -1.667 19205 60 1 1 . 1 1 13 13 SER CA C 13 58.421 58.421 58.430 -0.009 19205 61 1 1 . 1 1 13 13 SER CB C 13 63.844 63.844 62.941 0.903 19205 62 1 1 . 1 1 13 13 SER H H 13 8.805 8.805 8.795 0.010 19205 63 1 1 . 1 1 14 14 CYS N N 14 116.548 116.548 120.435 -3.887 19205 64 1 1 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.822 0.118 19205 65 1 1 . 1 1 14 14 CYS C C 14 172.746 172.746 173.838 -1.092 19205 66 1 1 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.806 -3.000 19205 67 1 1 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.917 15.688 19205 68 1 1 . 1 1 14 14 CYS H H 14 8.265 8.265 8.279 -0.014 19205 69 1 1 . 1 1 15 15 SER N N 15 113.958 113.958 114.383 -0.425 19205 70 1 1 . 1 1 15 15 SER HA H 15 4.531 4.531 4.667 -0.136 19205 71 1 1 . 1 1 15 15 SER C C 15 173.205 173.205 173.855 -0.650 19205 72 1 1 . 1 1 15 15 SER CA C 15 58.826 58.826 58.809 0.017 19205 73 1 1 . 1 1 15 15 SER CB C 15 65.097 65.097 65.138 -0.040 19205 74 1 1 . 1 1 15 15 SER H H 15 9.497 9.497 9.246 0.251 19205 75 1 1 . 1 1 16 16 GLN N N 16 118.516 118.516 119.258 -0.742 19205 76 1 1 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.742 0.002 19205 77 1 1 . 1 1 16 16 GLN C C 16 176.335 176.335 174.561 1.774 19205 78 1 1 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.719 -0.778 19205 79 1 1 . 1 1 16 16 GLN CB C 16 31.323 31.323 30.821 0.502 19205 80 1 1 . 1 1 16 16 GLN H H 16 8.049 8.049 7.987 0.062 19205 81 1 1 . 1 1 17 17 ASP N N 17 124.190 124.190 121.905 2.285 19205 82 1 1 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.445 -0.336 19205 83 1 1 . 1 1 17 17 ASP C C 17 178.349 178.349 178.073 0.276 19205 84 1 1 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.335 1.612 19205 85 1 1 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.455 -0.931 19205 86 1 1 . 1 1 17 17 ASP H H 17 9.208 9.208 8.833 0.375 19205 87 1 1 . 1 1 18 18 SER N N 18 112.259 112.259 112.788 -0.529 19205 88 1 1 . 1 1 18 18 SER HA H 18 4.228 4.228 4.229 -0.001 19205 89 1 1 . 1 1 18 18 SER C C 18 175.037 175.037 175.351 -0.314 19205 90 1 1 . 1 1 18 18 SER CA C 18 60.093 60.093 59.800 0.293 19205 91 1 1 . 1 1 18 18 SER CB C 18 62.134 62.134 63.032 -0.898 19205 92 1 1 . 1 1 18 18 SER H H 18 8.371 8.371 8.257 0.114 19205 93 1 1 . 1 1 19 19 ASP N N 19 120.750 120.750 120.069 0.681 19205 94 1 1 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.698 -0.107 19205 95 1 1 . 1 1 19 19 ASP C C 19 175.958 175.958 176.432 -0.474 19205 96 1 1 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.846 1.039 19205 97 1 1 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.000 1.022 19205 98 1 1 . 1 1 19 19 ASP H H 19 7.697 7.697 7.738 -0.041 19205 99 1 1 . 1 1 20 20 CYS N N 20 118.125 118.125 117.289 0.836 19205 100 1 1 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.674 0.303 19205 101 1 1 . 1 1 20 20 CYS C C 20 174.152 174.152 174.543 -0.391 19205 102 1 1 . 1 1 20 20 CYS CA C 20 51.981 51.981 57.671 -5.690 19205 103 1 1 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.718 10.256 19205 104 1 1 . 1 1 20 20 CYS H H 20 7.947 7.947 7.654 0.293 19205 105 1 1 . 1 1 21 21 LEU N N 21 121.658 121.658 121.383 0.275 19205 106 1 1 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.351 -0.184 19205 107 1 1 . 1 1 21 21 LEU C C 21 176.589 176.589 177.594 -1.005 19205 108 1 1 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.553 0.333 19205 109 1 1 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.713 0.210 19205 110 1 1 . 1 1 21 21 LEU H H 21 8.522 8.522 8.426 0.096 19205 111 1 1 . 1 1 22 22 ALA N N 22 121.907 121.907 122.908 -1.001 19205 112 1 1 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.171 -0.099 19205 113 1 1 . 1 1 22 22 ALA C C 22 178.382 178.382 178.568 -0.186 19205 114 1 1 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.565 0.400 19205 115 1 1 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.369 -0.425 19205 116 1 1 . 1 1 22 22 ALA H H 22 8.104 8.104 8.436 -0.332 19205 117 1 1 . 1 1 23 23 GLY N N 23 110.790 110.790 111.367 -0.577 19205 118 1 1 . 1 1 23 23 GLY C C 23 174.553 174.553 174.596 -0.043 19205 119 1 1 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.868 -0.247 19205 120 1 1 . 1 1 23 23 GLY H H 23 8.644 8.644 8.633 0.011 19205 121 1 1 . 1 1 24 24 CYS N N 24 119.431 119.431 120.082 -0.651 19205 122 1 1 . 1 1 24 24 CYS HA H 24 4.850 4.850 5.092 -0.242 19205 123 1 1 . 1 1 24 24 CYS C C 24 172.768 172.768 174.309 -1.541 19205 124 1 1 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.732 -3.830 19205 125 1 1 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.696 16.472 19205 126 1 1 . 1 1 24 24 CYS H H 24 8.491 8.491 7.625 0.866 19205 127 1 1 . 1 1 25 25 VAL N N 25 115.469 115.469 117.248 -1.779 19205 128 1 1 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.636 -0.269 19205 129 1 1 . 1 1 25 25 VAL C C 25 175.161 175.161 173.884 1.277 19205 130 1 1 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.309 0.019 19205 131 1 1 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.360 0.675 19205 132 1 1 . 1 1 25 25 VAL H H 25 9.324 9.324 9.055 0.269 19205 133 1 1 . 1 1 26 26 CYS N N 26 123.350 123.350 121.391 1.959 19205 134 1 1 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.907 -0.097 19205 135 1 1 . 1 1 26 26 CYS C C 26 174.891 174.891 176.082 -1.191 19205 136 1 1 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.777 -3.578 19205 137 1 1 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.617 12.643 19205 138 1 1 . 1 1 26 26 CYS H H 26 9.346 9.346 8.857 0.489 19205 139 1 1 . 1 1 27 27 GLY N N 27 117.742 117.742 116.695 1.047 19205 140 1 1 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.206 1.252 19205 141 1 1 . 1 1 27 27 GLY H H 27 8.259 8.259 9.080 -0.821 19205 142 1 1 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.426 -0.056 19205 143 1 1 . 1 1 28 28 PRO C C 28 176.720 176.720 176.762 -0.042 19205 144 1 1 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.450 0.036 19205 145 1 1 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.651 -0.098 19205 146 1 1 . 1 1 29 29 ASN N N 29 114.300 114.300 116.212 -1.912 19205 147 1 1 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.687 -0.038 19205 148 1 1 . 1 1 29 29 ASN C C 29 175.490 175.490 176.400 -0.910 19205 149 1 1 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.816 -0.481 19205 150 1 1 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.505 0.061 19205 151 1 1 . 1 1 29 29 ASN H H 29 8.061 8.061 8.184 -0.123 19205 152 1 1 . 1 1 30 30 GLY N N 30 107.086 107.086 107.280 -0.194 19205 153 1 1 . 1 1 30 30 GLY C C 30 173.758 173.758 173.011 0.747 19205 154 1 1 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.369 0.943 19205 155 1 1 . 1 1 30 30 GLY H H 30 8.294 8.294 7.913 0.381 19205 156 1 1 . 1 1 31 31 PHE N N 31 115.129 115.129 118.362 -3.233 19205 157 1 1 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.361 -0.011 19205 158 1 1 . 1 1 31 31 PHE C C 31 176.773 176.773 175.028 1.745 19205 159 1 1 . 1 1 31 31 PHE CA C 31 56.410 56.410 55.844 0.566 19205 160 1 1 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.749 -0.275 19205 161 1 1 . 1 1 31 31 PHE H H 31 7.167 7.167 8.194 -1.027 19205 162 1 1 . 1 1 32 32 CYS N N 32 123.123 123.123 120.480 2.643 19205 163 1 1 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.222 -0.123 19205 164 1 1 . 1 1 32 32 CYS C C 32 175.875 175.875 175.825 0.050 19205 165 1 1 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.129 -3.699 19205 166 1 1 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.702 15.385 19205 167 1 1 . 1 1 32 32 CYS H H 32 8.708 8.708 8.926 -0.218 19205 168 1 2 . 1 1 2 2 CYS N N 2 120.511 120.511 116.761 3.750 19205 169 1 2 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.997 -0.124 19205 170 1 2 . 1 1 2 2 CYS CA C 2 53.145 53.145 57.012 -3.867 19205 171 1 2 . 1 1 2 2 CYS CB C 2 41.921 41.921 28.956 12.965 19205 172 1 2 . 1 1 2 2 CYS H H 2 8.866 8.866 8.144 0.722 19205 173 1 2 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.260 0.038 19205 174 1 2 . 1 1 3 3 PRO C C 3 176.294 176.294 175.559 0.735 19205 175 1 2 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.163 0.611 19205 176 1 2 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.382 1.509 19205 177 1 2 . 1 1 4 4 GLN N N 4 118.141 118.141 117.674 0.467 19205 178 1 2 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.653 -0.759 19205 179 1 2 . 1 1 4 4 GLN C C 4 176.143 176.143 175.149 0.994 19205 180 1 2 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.426 0.747 19205 181 1 2 . 1 1 4 4 GLN CB C 4 29.568 29.568 31.047 -1.479 19205 182 1 2 . 1 1 4 4 GLN H H 4 7.648 7.648 8.309 -0.661 19205 183 1 2 . 1 1 5 5 GLY N N 5 108.656 108.656 107.269 1.387 19205 184 1 2 . 1 1 5 5 GLY C C 5 173.733 173.733 173.646 0.087 19205 185 1 2 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.849 -0.592 19205 186 1 2 . 1 1 5 5 GLY H H 5 7.759 7.759 7.662 0.097 19205 187 1 2 . 1 1 6 6 ARG N N 6 119.446 119.446 120.679 -1.233 19205 188 1 2 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.885 -0.496 19205 189 1 2 . 1 1 6 6 ARG C C 6 176.780 176.780 177.114 -0.334 19205 190 1 2 . 1 1 6 6 ARG CA C 6 55.538 55.538 53.289 2.249 19205 191 1 2 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.197 0.346 19205 192 1 2 . 1 1 6 6 ARG H H 6 7.865 7.865 8.141 -0.276 19205 193 1 2 . 1 1 7 7 GLY N N 7 109.318 109.318 109.321 -0.003 19205 194 1 2 . 1 1 7 7 GLY C C 7 174.275 174.275 174.846 -0.571 19205 195 1 2 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.526 -0.506 19205 196 1 2 . 1 1 7 7 GLY H H 7 8.529 8.529 8.542 -0.013 19205 197 1 2 . 1 1 8 8 ASP N N 8 121.036 121.036 119.496 1.540 19205 198 1 2 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.653 -0.098 19205 199 1 2 . 1 1 8 8 ASP C C 8 175.562 175.562 176.286 -0.724 19205 200 1 2 . 1 1 8 8 ASP CA C 8 53.748 53.748 54.239 -0.491 19205 201 1 2 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.792 -0.733 19205 202 1 2 . 1 1 8 8 ASP H H 8 8.414 8.414 8.645 -0.231 19205 203 1 2 . 1 1 9 9 TRP N N 9 121.704 121.704 121.750 -0.046 19205 204 1 2 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.664 -0.171 19205 205 1 2 . 1 1 9 9 TRP C C 9 175.498 175.498 175.098 0.400 19205 206 1 2 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.708 1.386 19205 207 1 2 . 1 1 9 9 TRP CB C 9 29.809 29.809 28.281 1.528 19205 208 1 2 . 1 1 9 9 TRP H H 9 7.814 7.814 8.056 -0.242 19205 209 1 2 . 1 1 10 10 ALA N N 10 128.588 128.588 128.106 0.482 19205 210 1 2 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.438 -0.025 19205 211 1 2 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.578 -0.308 19205 212 1 2 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.615 -0.500 19205 213 1 2 . 1 1 10 10 ALA H H 10 8.163 8.163 7.774 0.389 19205 214 1 2 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.859 -0.528 19205 215 1 2 . 1 1 11 11 PRO C C 11 176.753 176.753 176.556 0.197 19205 216 1 2 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.184 0.811 19205 217 1 2 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.424 0.021 19205 218 1 2 . 1 1 12 12 THR N N 12 119.798 119.798 118.239 1.559 19205 219 1 2 . 1 1 12 12 THR HA H 12 4.512 4.512 4.695 -0.183 19205 220 1 2 . 1 1 12 12 THR C C 12 173.572 173.572 174.678 -1.106 19205 221 1 2 . 1 1 12 12 THR CA C 12 62.099 62.099 61.733 0.366 19205 222 1 2 . 1 1 12 12 THR CB C 12 71.060 71.060 70.064 0.996 19205 223 1 2 . 1 1 12 12 THR H H 12 9.006 9.006 8.923 0.083 19205 224 1 2 . 1 1 13 13 SER N N 13 123.494 123.494 122.429 1.065 19205 225 1 2 . 1 1 13 13 SER HA H 13 4.539 4.539 4.563 -0.024 19205 226 1 2 . 1 1 13 13 SER C C 13 172.953 172.953 174.421 -1.468 19205 227 1 2 . 1 1 13 13 SER CA C 13 58.421 58.421 58.309 0.112 19205 228 1 2 . 1 1 13 13 SER CB C 13 63.844 63.844 63.145 0.699 19205 229 1 2 . 1 1 13 13 SER H H 13 8.805 8.805 8.765 0.040 19205 230 1 2 . 1 1 14 14 CYS N N 14 116.548 116.548 119.026 -2.478 19205 231 1 2 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.981 -0.041 19205 232 1 2 . 1 1 14 14 CYS C C 14 172.746 172.746 173.607 -0.861 19205 233 1 2 . 1 1 14 14 CYS CA C 14 53.806 53.806 57.196 -3.390 19205 234 1 2 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.645 15.960 19205 235 1 2 . 1 1 14 14 CYS H H 14 8.265 8.265 8.403 -0.138 19205 236 1 2 . 1 1 15 15 SER N N 15 113.958 113.958 114.479 -0.521 19205 237 1 2 . 1 1 15 15 SER HA H 15 4.531 4.531 4.616 -0.085 19205 238 1 2 . 1 1 15 15 SER C C 15 173.205 173.205 173.671 -0.466 19205 239 1 2 . 1 1 15 15 SER CA C 15 58.826 58.826 58.438 0.388 19205 240 1 2 . 1 1 15 15 SER CB C 15 65.097 65.097 64.511 0.586 19205 241 1 2 . 1 1 15 15 SER H H 15 9.497 9.497 9.112 0.385 19205 242 1 2 . 1 1 16 16 GLN N N 16 118.516 118.516 118.840 -0.324 19205 243 1 2 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.705 0.039 19205 244 1 2 . 1 1 16 16 GLN C C 16 176.335 176.335 174.484 1.851 19205 245 1 2 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.808 -0.867 19205 246 1 2 . 1 1 16 16 GLN CB C 16 31.323 31.323 30.775 0.548 19205 247 1 2 . 1 1 16 16 GLN H H 16 8.049 8.049 7.695 0.354 19205 248 1 2 . 1 1 17 17 ASP N N 17 124.190 124.190 122.055 2.135 19205 249 1 2 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.440 -0.331 19205 250 1 2 . 1 1 17 17 ASP C C 17 178.349 178.349 178.302 0.047 19205 251 1 2 . 1 1 17 17 ASP CA C 17 58.947 58.947 56.918 2.029 19205 252 1 2 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.431 -0.909 19205 253 1 2 . 1 1 17 17 ASP H H 17 9.208 9.208 8.878 0.330 19205 254 1 2 . 1 1 18 18 SER N N 18 112.259 112.259 112.707 -0.448 19205 255 1 2 . 1 1 18 18 SER HA H 18 4.228 4.228 4.245 -0.017 19205 256 1 2 . 1 1 18 18 SER C C 18 175.037 175.037 175.182 -0.145 19205 257 1 2 . 1 1 18 18 SER CA C 18 60.093 60.093 59.756 0.337 19205 258 1 2 . 1 1 18 18 SER CB C 18 62.134 62.134 62.998 -0.864 19205 259 1 2 . 1 1 18 18 SER H H 18 8.371 8.371 8.125 0.246 19205 260 1 2 . 1 1 19 19 ASP N N 19 120.750 120.750 120.586 0.164 19205 261 1 2 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.661 -0.070 19205 262 1 2 . 1 1 19 19 ASP C C 19 175.958 175.958 176.405 -0.447 19205 263 1 2 . 1 1 19 19 ASP CA C 19 55.885 55.885 55.060 0.825 19205 264 1 2 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.170 0.852 19205 265 1 2 . 1 1 19 19 ASP H H 19 7.697 7.697 7.714 -0.017 19205 266 1 2 . 1 1 20 20 CYS N N 20 118.125 118.125 116.564 1.561 19205 267 1 2 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.643 0.334 19205 268 1 2 . 1 1 20 20 CYS C C 20 174.152 174.152 175.043 -0.891 19205 269 1 2 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.402 -6.421 19205 270 1 2 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.428 10.546 19205 271 1 2 . 1 1 20 20 CYS H H 20 7.947 7.947 7.590 0.357 19205 272 1 2 . 1 1 21 21 LEU N N 21 121.658 121.658 121.607 0.051 19205 273 1 2 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.347 -0.180 19205 274 1 2 . 1 1 21 21 LEU C C 21 176.589 176.589 177.415 -0.826 19205 275 1 2 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.495 0.391 19205 276 1 2 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.732 0.191 19205 277 1 2 . 1 1 21 21 LEU H H 21 8.522 8.522 8.401 0.121 19205 278 1 2 . 1 1 22 22 ALA N N 22 121.907 121.907 122.838 -0.931 19205 279 1 2 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.203 -0.131 19205 280 1 2 . 1 1 22 22 ALA C C 22 178.382 178.382 178.550 -0.168 19205 281 1 2 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.368 0.597 19205 282 1 2 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.458 -0.514 19205 283 1 2 . 1 1 22 22 ALA H H 22 8.104 8.104 8.414 -0.310 19205 284 1 2 . 1 1 23 23 GLY N N 23 110.790 110.790 111.726 -0.936 19205 285 1 2 . 1 1 23 23 GLY C C 23 174.553 174.553 174.332 0.221 19205 286 1 2 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.854 -0.233 19205 287 1 2 . 1 1 23 23 GLY H H 23 8.644 8.644 8.727 -0.083 19205 288 1 2 . 1 1 24 24 CYS N N 24 119.431 119.431 118.117 1.314 19205 289 1 2 . 1 1 24 24 CYS HA H 24 4.850 4.850 5.168 -0.318 19205 290 1 2 . 1 1 24 24 CYS C C 24 172.768 172.768 173.862 -1.094 19205 291 1 2 . 1 1 24 24 CYS CA C 24 54.902 54.902 57.948 -3.046 19205 292 1 2 . 1 1 24 24 CYS CB C 24 46.168 46.168 30.428 15.740 19205 293 1 2 . 1 1 24 24 CYS H H 24 8.491 8.491 7.597 0.894 19205 294 1 2 . 1 1 25 25 VAL N N 25 115.469 115.469 116.191 -0.722 19205 295 1 2 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.668 -0.301 19205 296 1 2 . 1 1 25 25 VAL C C 25 175.161 175.161 173.657 1.504 19205 297 1 2 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.919 0.408 19205 298 1 2 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.224 0.811 19205 299 1 2 . 1 1 25 25 VAL H H 25 9.324 9.324 9.141 0.183 19205 300 1 2 . 1 1 26 26 CYS N N 26 123.350 123.350 120.471 2.879 19205 301 1 2 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.755 0.055 19205 302 1 2 . 1 1 26 26 CYS C C 26 174.891 174.891 175.822 -0.931 19205 303 1 2 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.785 -3.586 19205 304 1 2 . 1 1 26 26 CYS CB C 26 38.260 38.260 26.093 12.167 19205 305 1 2 . 1 1 26 26 CYS H H 26 9.346 9.346 8.879 0.467 19205 306 1 2 . 1 1 27 27 GLY N N 27 117.742 117.742 116.336 1.406 19205 307 1 2 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.087 1.371 19205 308 1 2 . 1 1 27 27 GLY H H 27 8.259 8.259 8.980 -0.721 19205 309 1 2 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.448 -0.078 19205 310 1 2 . 1 1 28 28 PRO C C 28 176.720 176.720 176.805 -0.085 19205 311 1 2 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.428 0.058 19205 312 1 2 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.676 -0.123 19205 313 1 2 . 1 1 29 29 ASN N N 29 114.300 114.300 116.435 -2.135 19205 314 1 2 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.673 -0.024 19205 315 1 2 . 1 1 29 29 ASN C C 29 175.490 175.490 176.446 -0.956 19205 316 1 2 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.933 -0.598 19205 317 1 2 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.574 -0.008 19205 318 1 2 . 1 1 29 29 ASN H H 29 8.061 8.061 8.235 -0.174 19205 319 1 2 . 1 1 30 30 GLY N N 30 107.086 107.086 107.107 -0.021 19205 320 1 2 . 1 1 30 30 GLY C C 30 173.758 173.758 172.947 0.811 19205 321 1 2 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.204 1.108 19205 322 1 2 . 1 1 30 30 GLY H H 30 8.294 8.294 7.926 0.368 19205 323 1 2 . 1 1 31 31 PHE N N 31 115.129 115.129 118.581 -3.452 19205 324 1 2 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.318 0.032 19205 325 1 2 . 1 1 31 31 PHE C C 31 176.773 176.773 175.306 1.467 19205 326 1 2 . 1 1 31 31 PHE CA C 31 56.410 56.410 55.954 0.456 19205 327 1 2 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.525 -0.051 19205 328 1 2 . 1 1 31 31 PHE H H 31 7.167 7.167 8.256 -1.089 19205 329 1 2 . 1 1 32 32 CYS N N 32 123.123 123.123 120.616 2.507 19205 330 1 2 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.171 -0.072 19205 331 1 2 . 1 1 32 32 CYS C C 32 175.875 175.875 175.875 0.000 19205 332 1 2 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.375 -3.945 19205 333 1 2 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.593 15.494 19205 334 1 2 . 1 1 32 32 CYS H H 32 8.708 8.708 8.924 -0.216 19205 335 1 3 . 1 1 2 2 CYS N N 2 120.511 120.511 118.203 2.308 19205 336 1 3 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.881 -0.008 19205 337 1 3 . 1 1 2 2 CYS CA C 2 53.145 53.145 55.122 -1.977 19205 338 1 3 . 1 1 2 2 CYS CB C 2 41.921 41.921 26.997 14.925 19205 339 1 3 . 1 1 2 2 CYS H H 2 8.866 8.866 8.639 0.227 19205 340 1 3 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.192 0.106 19205 341 1 3 . 1 1 3 3 PRO C C 3 176.294 176.294 175.500 0.794 19205 342 1 3 . 1 1 3 3 PRO CA C 3 63.774 63.774 62.986 0.787 19205 343 1 3 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.104 1.787 19205 344 1 3 . 1 1 4 4 GLN N N 4 118.141 118.141 117.369 0.772 19205 345 1 3 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.654 -0.760 19205 346 1 3 . 1 1 4 4 GLN C C 4 176.143 176.143 175.676 0.467 19205 347 1 3 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.593 0.580 19205 348 1 3 . 1 1 4 4 GLN CB C 4 29.568 29.568 31.070 -1.502 19205 349 1 3 . 1 1 4 4 GLN H H 4 7.648 7.648 8.240 -0.592 19205 350 1 3 . 1 1 5 5 GLY N N 5 108.656 108.656 107.116 1.540 19205 351 1 3 . 1 1 5 5 GLY C C 5 173.733 173.733 173.756 -0.023 19205 352 1 3 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.607 -0.350 19205 353 1 3 . 1 1 5 5 GLY H H 5 7.759 7.759 7.648 0.111 19205 354 1 3 . 1 1 6 6 ARG N N 6 119.446 119.446 120.404 -0.958 19205 355 1 3 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.842 -0.453 19205 356 1 3 . 1 1 6 6 ARG C C 6 176.780 176.780 177.876 -1.096 19205 357 1 3 . 1 1 6 6 ARG CA C 6 55.538 55.538 53.583 1.955 19205 358 1 3 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.727 -0.184 19205 359 1 3 . 1 1 6 6 ARG H H 6 7.865 7.865 7.948 -0.083 19205 360 1 3 . 1 1 7 7 GLY N N 7 109.318 109.318 110.558 -1.240 19205 361 1 3 . 1 1 7 7 GLY C C 7 174.275 174.275 174.499 -0.224 19205 362 1 3 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.974 -0.954 19205 363 1 3 . 1 1 7 7 GLY H H 7 8.529 8.529 8.633 -0.104 19205 364 1 3 . 1 1 8 8 ASP N N 8 121.036 121.036 119.823 1.213 19205 365 1 3 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.699 -0.144 19205 366 1 3 . 1 1 8 8 ASP C C 8 175.562 175.562 174.994 0.568 19205 367 1 3 . 1 1 8 8 ASP CA C 8 53.748 53.748 54.109 -0.361 19205 368 1 3 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.526 -0.467 19205 369 1 3 . 1 1 8 8 ASP H H 8 8.414 8.414 8.724 -0.310 19205 370 1 3 . 1 1 9 9 TRP N N 9 121.704 121.704 122.746 -1.042 19205 371 1 3 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.786 -0.293 19205 372 1 3 . 1 1 9 9 TRP C C 9 175.498 175.498 174.649 0.849 19205 373 1 3 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.921 1.173 19205 374 1 3 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.675 0.134 19205 375 1 3 . 1 1 9 9 TRP H H 9 7.814 7.814 7.700 0.114 19205 376 1 3 . 1 1 10 10 ALA N N 10 128.588 128.588 127.872 0.716 19205 377 1 3 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.405 0.008 19205 378 1 3 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.709 -0.439 19205 379 1 3 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.576 -0.461 19205 380 1 3 . 1 1 10 10 ALA H H 10 8.163 8.163 8.303 -0.140 19205 381 1 3 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.935 -0.604 19205 382 1 3 . 1 1 11 11 PRO C C 11 176.753 176.753 176.660 0.093 19205 383 1 3 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.100 0.896 19205 384 1 3 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.527 -0.082 19205 385 1 3 . 1 1 12 12 THR N N 12 119.798 119.798 117.869 1.929 19205 386 1 3 . 1 1 12 12 THR HA H 12 4.512 4.512 4.757 -0.245 19205 387 1 3 . 1 1 12 12 THR C C 12 173.572 173.572 174.435 -0.863 19205 388 1 3 . 1 1 12 12 THR CA C 12 62.099 62.099 62.077 0.022 19205 389 1 3 . 1 1 12 12 THR CB C 12 71.060 71.060 70.059 1.000 19205 390 1 3 . 1 1 12 12 THR H H 12 9.006 9.006 8.877 0.129 19205 391 1 3 . 1 1 13 13 SER N N 13 123.494 123.494 122.224 1.270 19205 392 1 3 . 1 1 13 13 SER HA H 13 4.539 4.539 4.415 0.124 19205 393 1 3 . 1 1 13 13 SER C C 13 172.953 172.953 174.778 -1.825 19205 394 1 3 . 1 1 13 13 SER CA C 13 58.421 58.421 58.325 0.096 19205 395 1 3 . 1 1 13 13 SER CB C 13 63.844 63.844 63.553 0.291 19205 396 1 3 . 1 1 13 13 SER H H 13 8.805 8.805 8.669 0.136 19205 397 1 3 . 1 1 14 14 CYS N N 14 116.548 116.548 119.743 -3.195 19205 398 1 3 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.865 0.075 19205 399 1 3 . 1 1 14 14 CYS C C 14 172.746 172.746 173.595 -0.849 19205 400 1 3 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.889 -3.083 19205 401 1 3 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.091 16.514 19205 402 1 3 . 1 1 14 14 CYS H H 14 8.265 8.265 8.039 0.226 19205 403 1 3 . 1 1 15 15 SER N N 15 113.958 113.958 114.297 -0.339 19205 404 1 3 . 1 1 15 15 SER HA H 15 4.531 4.531 4.659 -0.128 19205 405 1 3 . 1 1 15 15 SER C C 15 173.205 173.205 173.821 -0.616 19205 406 1 3 . 1 1 15 15 SER CA C 15 58.826 58.826 58.656 0.170 19205 407 1 3 . 1 1 15 15 SER CB C 15 65.097 65.097 64.980 0.117 19205 408 1 3 . 1 1 15 15 SER H H 15 9.497 9.497 9.070 0.427 19205 409 1 3 . 1 1 16 16 GLN N N 16 118.516 118.516 118.464 0.052 19205 410 1 3 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.546 0.198 19205 411 1 3 . 1 1 16 16 GLN C C 16 176.335 176.335 174.799 1.536 19205 412 1 3 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.677 -0.736 19205 413 1 3 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.358 -0.035 19205 414 1 3 . 1 1 16 16 GLN H H 16 8.049 8.049 7.608 0.441 19205 415 1 3 . 1 1 17 17 ASP N N 17 124.190 124.190 122.300 1.890 19205 416 1 3 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.423 -0.314 19205 417 1 3 . 1 1 17 17 ASP C C 17 178.349 178.349 177.809 0.540 19205 418 1 3 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.180 1.767 19205 419 1 3 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.408 -0.885 19205 420 1 3 . 1 1 17 17 ASP H H 17 9.208 9.208 8.793 0.415 19205 421 1 3 . 1 1 18 18 SER N N 18 112.259 112.259 111.604 0.655 19205 422 1 3 . 1 1 18 18 SER HA H 18 4.228 4.228 4.238 -0.010 19205 423 1 3 . 1 1 18 18 SER C C 18 175.037 175.037 174.838 0.199 19205 424 1 3 . 1 1 18 18 SER CA C 18 60.093 60.093 59.832 0.261 19205 425 1 3 . 1 1 18 18 SER CB C 18 62.134 62.134 62.831 -0.697 19205 426 1 3 . 1 1 18 18 SER H H 18 8.371 8.371 8.129 0.242 19205 427 1 3 . 1 1 19 19 ASP N N 19 120.750 120.750 120.827 -0.077 19205 428 1 3 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.736 -0.145 19205 429 1 3 . 1 1 19 19 ASP C C 19 175.958 175.958 176.250 -0.292 19205 430 1 3 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.694 1.192 19205 431 1 3 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.199 0.823 19205 432 1 3 . 1 1 19 19 ASP H H 19 7.697 7.697 7.833 -0.136 19205 433 1 3 . 1 1 20 20 CYS N N 20 118.125 118.125 116.669 1.456 19205 434 1 3 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.722 0.255 19205 435 1 3 . 1 1 20 20 CYS C C 20 174.152 174.152 174.685 -0.533 19205 436 1 3 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.262 -6.281 19205 437 1 3 . 1 1 20 20 CYS CB C 20 39.974 39.974 30.035 9.940 19205 438 1 3 . 1 1 20 20 CYS H H 20 7.947 7.947 7.703 0.244 19205 439 1 3 . 1 1 21 21 LEU N N 21 121.658 121.658 121.198 0.460 19205 440 1 3 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.363 -0.196 19205 441 1 3 . 1 1 21 21 LEU C C 21 176.589 176.589 177.574 -0.985 19205 442 1 3 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.462 0.424 19205 443 1 3 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.750 0.173 19205 444 1 3 . 1 1 21 21 LEU H H 21 8.522 8.522 8.503 0.019 19205 445 1 3 . 1 1 22 22 ALA N N 22 121.907 121.907 123.267 -1.360 19205 446 1 3 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.131 -0.059 19205 447 1 3 . 1 1 22 22 ALA C C 22 178.382 178.382 178.508 -0.126 19205 448 1 3 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.657 0.308 19205 449 1 3 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.089 -0.145 19205 450 1 3 . 1 1 22 22 ALA H H 22 8.104 8.104 8.466 -0.362 19205 451 1 3 . 1 1 23 23 GLY N N 23 110.790 110.790 111.601 -0.811 19205 452 1 3 . 1 1 23 23 GLY C C 23 174.553 174.553 174.562 -0.009 19205 453 1 3 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.813 -0.192 19205 454 1 3 . 1 1 23 23 GLY H H 23 8.644 8.644 8.608 0.036 19205 455 1 3 . 1 1 24 24 CYS N N 24 119.431 119.431 119.628 -0.197 19205 456 1 3 . 1 1 24 24 CYS HA H 24 4.850 4.850 5.076 -0.226 19205 457 1 3 . 1 1 24 24 CYS C C 24 172.768 172.768 174.091 -1.323 19205 458 1 3 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.427 -3.525 19205 459 1 3 . 1 1 24 24 CYS CB C 24 46.168 46.168 30.275 15.893 19205 460 1 3 . 1 1 24 24 CYS H H 24 8.491 8.491 7.750 0.741 19205 461 1 3 . 1 1 25 25 VAL N N 25 115.469 115.469 115.509 -0.040 19205 462 1 3 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.579 -0.212 19205 463 1 3 . 1 1 25 25 VAL C C 25 175.161 175.161 173.919 1.242 19205 464 1 3 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.665 0.662 19205 465 1 3 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.462 0.573 19205 466 1 3 . 1 1 25 25 VAL H H 25 9.324 9.324 8.827 0.497 19205 467 1 3 . 1 1 26 26 CYS N N 26 123.350 123.350 120.658 2.692 19205 468 1 3 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.806 0.004 19205 469 1 3 . 1 1 26 26 CYS C C 26 174.891 174.891 175.805 -0.914 19205 470 1 3 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.459 -3.260 19205 471 1 3 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.958 12.302 19205 472 1 3 . 1 1 26 26 CYS H H 26 9.346 9.346 8.871 0.475 19205 473 1 3 . 1 1 27 27 GLY N N 27 117.742 117.742 116.615 1.127 19205 474 1 3 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.034 1.424 19205 475 1 3 . 1 1 27 27 GLY H H 27 8.259 8.259 8.946 -0.687 19205 476 1 3 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.435 -0.065 19205 477 1 3 . 1 1 28 28 PRO C C 28 176.720 176.720 176.798 -0.078 19205 478 1 3 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.378 0.108 19205 479 1 3 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.645 -0.092 19205 480 1 3 . 1 1 29 29 ASN N N 29 114.300 114.300 116.560 -2.260 19205 481 1 3 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.681 -0.032 19205 482 1 3 . 1 1 29 29 ASN C C 29 175.490 175.490 176.461 -0.971 19205 483 1 3 . 1 1 29 29 ASN CA C 29 52.335 52.335 53.009 -0.674 19205 484 1 3 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.657 -0.091 19205 485 1 3 . 1 1 29 29 ASN H H 29 8.061 8.061 8.231 -0.170 19205 486 1 3 . 1 1 30 30 GLY N N 30 107.086 107.086 107.333 -0.247 19205 487 1 3 . 1 1 30 30 GLY C C 30 173.758 173.758 172.907 0.851 19205 488 1 3 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.086 1.226 19205 489 1 3 . 1 1 30 30 GLY H H 30 8.294 8.294 7.970 0.324 19205 490 1 3 . 1 1 31 31 PHE N N 31 115.129 115.129 118.144 -3.015 19205 491 1 3 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.275 0.075 19205 492 1 3 . 1 1 31 31 PHE C C 31 176.773 176.773 175.124 1.649 19205 493 1 3 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.275 0.135 19205 494 1 3 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.800 -0.326 19205 495 1 3 . 1 1 31 31 PHE H H 31 7.167 7.167 8.206 -1.039 19205 496 1 3 . 1 1 32 32 CYS N N 32 123.123 123.123 120.765 2.358 19205 497 1 3 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.136 -0.037 19205 498 1 3 . 1 1 32 32 CYS C C 32 175.875 175.875 176.023 -0.148 19205 499 1 3 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.450 -4.020 19205 500 1 3 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.435 15.652 19205 501 1 3 . 1 1 32 32 CYS H H 32 8.708 8.708 8.829 -0.121 19205 502 1 4 . 1 1 2 2 CYS N N 2 120.511 120.511 118.462 2.049 19205 503 1 4 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.882 -0.009 19205 504 1 4 . 1 1 2 2 CYS CA C 2 53.145 53.145 55.141 -1.996 19205 505 1 4 . 1 1 2 2 CYS CB C 2 41.921 41.921 27.152 14.769 19205 506 1 4 . 1 1 2 2 CYS H H 2 8.866 8.866 8.729 0.137 19205 507 1 4 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.263 0.035 19205 508 1 4 . 1 1 3 3 PRO C C 3 176.294 176.294 175.751 0.543 19205 509 1 4 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.283 0.491 19205 510 1 4 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.043 1.848 19205 511 1 4 . 1 1 4 4 GLN N N 4 118.141 118.141 118.524 -0.383 19205 512 1 4 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.684 -0.790 19205 513 1 4 . 1 1 4 4 GLN C C 4 176.143 176.143 174.857 1.286 19205 514 1 4 . 1 1 4 4 GLN CA C 4 56.173 56.173 54.758 1.415 19205 515 1 4 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.154 -0.586 19205 516 1 4 . 1 1 4 4 GLN H H 4 7.648 7.648 8.140 -0.492 19205 517 1 4 . 1 1 5 5 GLY N N 5 108.656 108.656 106.656 2.000 19205 518 1 4 . 1 1 5 5 GLY C C 5 173.733 173.733 173.398 0.335 19205 519 1 4 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.459 -0.202 19205 520 1 4 . 1 1 5 5 GLY H H 5 7.759 7.759 7.837 -0.078 19205 521 1 4 . 1 1 6 6 ARG N N 6 119.446 119.446 120.900 -1.454 19205 522 1 4 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.872 -0.483 19205 523 1 4 . 1 1 6 6 ARG C C 6 176.780 176.780 177.687 -0.907 19205 524 1 4 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.176 1.362 19205 525 1 4 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.936 -0.393 19205 526 1 4 . 1 1 6 6 ARG H H 6 7.865 7.865 8.312 -0.447 19205 527 1 4 . 1 1 7 7 GLY N N 7 109.318 109.318 110.699 -1.381 19205 528 1 4 . 1 1 7 7 GLY C C 7 174.275 174.275 174.526 -0.251 19205 529 1 4 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.887 -0.867 19205 530 1 4 . 1 1 7 7 GLY H H 7 8.529 8.529 8.567 -0.038 19205 531 1 4 . 1 1 8 8 ASP N N 8 121.036 121.036 119.761 1.275 19205 532 1 4 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.741 -0.186 19205 533 1 4 . 1 1 8 8 ASP C C 8 175.562 175.562 175.030 0.532 19205 534 1 4 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.956 -0.208 19205 535 1 4 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.529 -0.470 19205 536 1 4 . 1 1 8 8 ASP H H 8 8.414 8.414 8.823 -0.409 19205 537 1 4 . 1 1 9 9 TRP N N 9 121.704 121.704 122.297 -0.593 19205 538 1 4 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.815 -0.322 19205 539 1 4 . 1 1 9 9 TRP C C 9 175.498 175.498 174.913 0.585 19205 540 1 4 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.969 1.125 19205 541 1 4 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.985 -0.176 19205 542 1 4 . 1 1 9 9 TRP H H 9 7.814 7.814 7.397 0.417 19205 543 1 4 . 1 1 10 10 ALA N N 10 128.588 128.588 128.608 -0.020 19205 544 1 4 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.477 -0.064 19205 545 1 4 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.604 -0.334 19205 546 1 4 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.598 -0.483 19205 547 1 4 . 1 1 10 10 ALA H H 10 8.163 8.163 8.401 -0.238 19205 548 1 4 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.946 -0.615 19205 549 1 4 . 1 1 11 11 PRO C C 11 176.753 176.753 176.730 0.023 19205 550 1 4 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.193 0.803 19205 551 1 4 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.401 0.044 19205 552 1 4 . 1 1 12 12 THR N N 12 119.798 119.798 117.339 2.459 19205 553 1 4 . 1 1 12 12 THR HA H 12 4.512 4.512 4.756 -0.244 19205 554 1 4 . 1 1 12 12 THR C C 12 173.572 173.572 174.524 -0.952 19205 555 1 4 . 1 1 12 12 THR CA C 12 62.099 62.099 61.798 0.301 19205 556 1 4 . 1 1 12 12 THR CB C 12 71.060 71.060 70.201 0.859 19205 557 1 4 . 1 1 12 12 THR H H 12 9.006 9.006 8.366 0.640 19205 558 1 4 . 1 1 13 13 SER N N 13 123.494 123.494 121.594 1.900 19205 559 1 4 . 1 1 13 13 SER HA H 13 4.539 4.539 4.534 0.005 19205 560 1 4 . 1 1 13 13 SER C C 13 172.953 172.953 174.341 -1.388 19205 561 1 4 . 1 1 13 13 SER CA C 13 58.421 58.421 58.060 0.361 19205 562 1 4 . 1 1 13 13 SER CB C 13 63.844 63.844 63.172 0.672 19205 563 1 4 . 1 1 13 13 SER H H 13 8.805 8.805 8.643 0.162 19205 564 1 4 . 1 1 14 14 CYS N N 14 116.548 116.548 119.611 -3.063 19205 565 1 4 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.899 0.041 19205 566 1 4 . 1 1 14 14 CYS C C 14 172.746 172.746 173.465 -0.719 19205 567 1 4 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.803 -2.997 19205 568 1 4 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.500 16.105 19205 569 1 4 . 1 1 14 14 CYS H H 14 8.265 8.265 8.403 -0.138 19205 570 1 4 . 1 1 15 15 SER N N 15 113.958 113.958 113.993 -0.035 19205 571 1 4 . 1 1 15 15 SER HA H 15 4.531 4.531 4.671 -0.140 19205 572 1 4 . 1 1 15 15 SER C C 15 173.205 173.205 173.679 -0.474 19205 573 1 4 . 1 1 15 15 SER CA C 15 58.826 58.826 58.606 0.220 19205 574 1 4 . 1 1 15 15 SER CB C 15 65.097 65.097 65.164 -0.067 19205 575 1 4 . 1 1 15 15 SER H H 15 9.497 9.497 9.193 0.304 19205 576 1 4 . 1 1 16 16 GLN N N 16 118.516 118.516 118.804 -0.288 19205 577 1 4 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.694 0.050 19205 578 1 4 . 1 1 16 16 GLN C C 16 176.335 176.335 174.580 1.755 19205 579 1 4 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.628 -0.687 19205 580 1 4 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.105 0.218 19205 581 1 4 . 1 1 16 16 GLN H H 16 8.049 8.049 7.897 0.152 19205 582 1 4 . 1 1 17 17 ASP N N 17 124.190 124.190 121.848 2.342 19205 583 1 4 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.431 -0.323 19205 584 1 4 . 1 1 17 17 ASP C C 17 178.349 178.349 177.991 0.358 19205 585 1 4 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.292 1.655 19205 586 1 4 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.400 -0.877 19205 587 1 4 . 1 1 17 17 ASP H H 17 9.208 9.208 8.839 0.369 19205 588 1 4 . 1 1 18 18 SER N N 18 112.259 112.259 113.057 -0.798 19205 589 1 4 . 1 1 18 18 SER HA H 18 4.228 4.228 4.231 -0.003 19205 590 1 4 . 1 1 18 18 SER C C 18 175.037 175.037 175.426 -0.389 19205 591 1 4 . 1 1 18 18 SER CA C 18 60.093 60.093 60.335 -0.242 19205 592 1 4 . 1 1 18 18 SER CB C 18 62.134 62.134 62.866 -0.732 19205 593 1 4 . 1 1 18 18 SER H H 18 8.371 8.371 8.406 -0.035 19205 594 1 4 . 1 1 19 19 ASP N N 19 120.750 120.750 120.635 0.115 19205 595 1 4 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.595 -0.004 19205 596 1 4 . 1 1 19 19 ASP C C 19 175.958 175.958 176.646 -0.688 19205 597 1 4 . 1 1 19 19 ASP CA C 19 55.885 55.885 55.321 0.564 19205 598 1 4 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.018 1.004 19205 599 1 4 . 1 1 19 19 ASP H H 19 7.697 7.697 7.700 -0.003 19205 600 1 4 . 1 1 20 20 CYS N N 20 118.125 118.125 116.973 1.152 19205 601 1 4 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.526 0.451 19205 602 1 4 . 1 1 20 20 CYS C C 20 174.152 174.152 174.886 -0.734 19205 603 1 4 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.643 -6.662 19205 604 1 4 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.075 10.899 19205 605 1 4 . 1 1 20 20 CYS H H 20 7.947 7.947 7.732 0.215 19205 606 1 4 . 1 1 21 21 LEU N N 21 121.658 121.658 120.807 0.851 19205 607 1 4 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.409 -0.242 19205 608 1 4 . 1 1 21 21 LEU C C 21 176.589 176.589 177.287 -0.698 19205 609 1 4 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.309 0.577 19205 610 1 4 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.813 0.110 19205 611 1 4 . 1 1 21 21 LEU H H 21 8.522 8.522 8.482 0.040 19205 612 1 4 . 1 1 22 22 ALA N N 22 121.907 121.907 122.828 -0.921 19205 613 1 4 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.184 -0.112 19205 614 1 4 . 1 1 22 22 ALA C C 22 178.382 178.382 178.467 -0.085 19205 615 1 4 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.500 0.465 19205 616 1 4 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.308 -0.364 19205 617 1 4 . 1 1 22 22 ALA H H 22 8.104 8.104 8.448 -0.344 19205 618 1 4 . 1 1 23 23 GLY N N 23 110.790 110.790 112.145 -1.355 19205 619 1 4 . 1 1 23 23 GLY C C 23 174.553 174.553 174.545 0.008 19205 620 1 4 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.636 -0.015 19205 621 1 4 . 1 1 23 23 GLY H H 23 8.644 8.644 8.782 -0.138 19205 622 1 4 . 1 1 24 24 CYS N N 24 119.431 119.431 119.108 0.323 19205 623 1 4 . 1 1 24 24 CYS HA H 24 4.850 4.850 5.305 -0.455 19205 624 1 4 . 1 1 24 24 CYS C C 24 172.768 172.768 174.001 -1.233 19205 625 1 4 . 1 1 24 24 CYS CA C 24 54.902 54.902 57.847 -2.945 19205 626 1 4 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.852 16.316 19205 627 1 4 . 1 1 24 24 CYS H H 24 8.491 8.491 7.670 0.821 19205 628 1 4 . 1 1 25 25 VAL N N 25 115.469 115.469 115.631 -0.162 19205 629 1 4 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.614 -0.247 19205 630 1 4 . 1 1 25 25 VAL C C 25 175.161 175.161 173.884 1.277 19205 631 1 4 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.290 0.037 19205 632 1 4 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.777 0.258 19205 633 1 4 . 1 1 25 25 VAL H H 25 9.324 9.324 8.915 0.409 19205 634 1 4 . 1 1 26 26 CYS N N 26 123.350 123.350 121.476 1.874 19205 635 1 4 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.769 0.041 19205 636 1 4 . 1 1 26 26 CYS C C 26 174.891 174.891 176.229 -1.338 19205 637 1 4 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.687 -3.488 19205 638 1 4 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.448 12.812 19205 639 1 4 . 1 1 26 26 CYS H H 26 9.346 9.346 8.886 0.460 19205 640 1 4 . 1 1 27 27 GLY N N 27 117.742 117.742 116.823 0.919 19205 641 1 4 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.130 1.328 19205 642 1 4 . 1 1 27 27 GLY H H 27 8.259 8.259 8.908 -0.649 19205 643 1 4 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.422 -0.052 19205 644 1 4 . 1 1 28 28 PRO C C 28 176.720 176.720 176.914 -0.194 19205 645 1 4 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.374 0.112 19205 646 1 4 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.665 -0.112 19205 647 1 4 . 1 1 29 29 ASN N N 29 114.300 114.300 116.555 -2.255 19205 648 1 4 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.665 -0.016 19205 649 1 4 . 1 1 29 29 ASN C C 29 175.490 175.490 176.443 -0.953 19205 650 1 4 . 1 1 29 29 ASN CA C 29 52.335 52.335 53.145 -0.811 19205 651 1 4 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.683 -0.117 19205 652 1 4 . 1 1 29 29 ASN H H 29 8.061 8.061 8.280 -0.219 19205 653 1 4 . 1 1 30 30 GLY N N 30 107.086 107.086 106.878 0.208 19205 654 1 4 . 1 1 30 30 GLY C C 30 173.758 173.758 172.810 0.948 19205 655 1 4 . 1 1 30 30 GLY CA C 30 46.312 46.312 44.896 1.416 19205 656 1 4 . 1 1 30 30 GLY H H 30 8.294 8.294 7.906 0.388 19205 657 1 4 . 1 1 31 31 PHE N N 31 115.129 115.129 118.363 -3.234 19205 658 1 4 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.330 0.020 19205 659 1 4 . 1 1 31 31 PHE C C 31 176.773 176.773 175.419 1.354 19205 660 1 4 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.166 0.244 19205 661 1 4 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.663 -0.189 19205 662 1 4 . 1 1 31 31 PHE H H 31 7.167 7.167 8.444 -1.277 19205 663 1 4 . 1 1 32 32 CYS N N 32 123.123 123.123 120.778 2.345 19205 664 1 4 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.074 0.025 19205 665 1 4 . 1 1 32 32 CYS C C 32 175.875 175.875 175.925 -0.050 19205 666 1 4 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.489 -4.059 19205 667 1 4 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.186 15.901 19205 668 1 4 . 1 1 32 32 CYS H H 32 8.708 8.708 8.862 -0.154 19205 669 1 5 . 1 1 2 2 CYS N N 2 120.511 120.511 116.974 3.537 19205 670 1 5 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.996 -0.123 19205 671 1 5 . 1 1 2 2 CYS CA C 2 53.145 53.145 56.963 -3.818 19205 672 1 5 . 1 1 2 2 CYS CB C 2 41.921 41.921 28.810 13.111 19205 673 1 5 . 1 1 2 2 CYS H H 2 8.866 8.866 8.171 0.695 19205 674 1 5 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.154 0.144 19205 675 1 5 . 1 1 3 3 PRO C C 3 176.294 176.294 175.752 0.542 19205 676 1 5 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.525 0.249 19205 677 1 5 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.329 1.562 19205 678 1 5 . 1 1 4 4 GLN N N 4 118.141 118.141 115.857 2.284 19205 679 1 5 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.642 -0.748 19205 680 1 5 . 1 1 4 4 GLN C C 4 176.143 176.143 175.750 0.393 19205 681 1 5 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.577 0.596 19205 682 1 5 . 1 1 4 4 GLN CB C 4 29.568 29.568 31.317 -1.749 19205 683 1 5 . 1 1 4 4 GLN H H 4 7.648 7.648 8.134 -0.486 19205 684 1 5 . 1 1 5 5 GLY N N 5 108.656 108.656 108.388 0.268 19205 685 1 5 . 1 1 5 5 GLY C C 5 173.733 173.733 173.936 -0.203 19205 686 1 5 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.421 -0.164 19205 687 1 5 . 1 1 5 5 GLY H H 5 7.759 7.759 7.756 0.003 19205 688 1 5 . 1 1 6 6 ARG N N 6 119.446 119.446 120.353 -0.907 19205 689 1 5 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.747 -0.358 19205 690 1 5 . 1 1 6 6 ARG C C 6 176.780 176.780 178.163 -1.383 19205 691 1 5 . 1 1 6 6 ARG CA C 6 55.538 55.538 53.732 1.806 19205 692 1 5 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.500 0.043 19205 693 1 5 . 1 1 6 6 ARG H H 6 7.865 7.865 7.837 0.028 19205 694 1 5 . 1 1 7 7 GLY N N 7 109.318 109.318 110.385 -1.067 19205 695 1 5 . 1 1 7 7 GLY C C 7 174.275 174.275 174.482 -0.207 19205 696 1 5 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.020 -1.000 19205 697 1 5 . 1 1 7 7 GLY H H 7 8.529 8.529 8.626 -0.097 19205 698 1 5 . 1 1 8 8 ASP N N 8 121.036 121.036 119.328 1.708 19205 699 1 5 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.733 -0.178 19205 700 1 5 . 1 1 8 8 ASP C C 8 175.562 175.562 175.053 0.509 19205 701 1 5 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.979 -0.231 19205 702 1 5 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.662 -0.603 19205 703 1 5 . 1 1 8 8 ASP H H 8 8.414 8.414 8.753 -0.339 19205 704 1 5 . 1 1 9 9 TRP N N 9 121.704 121.704 123.170 -1.466 19205 705 1 5 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.782 -0.289 19205 706 1 5 . 1 1 9 9 TRP C C 9 175.498 175.498 174.715 0.783 19205 707 1 5 . 1 1 9 9 TRP CA C 9 57.094 57.094 56.019 1.075 19205 708 1 5 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.089 0.720 19205 709 1 5 . 1 1 9 9 TRP H H 9 7.814 7.814 7.652 0.162 19205 710 1 5 . 1 1 10 10 ALA N N 10 128.588 128.588 128.194 0.394 19205 711 1 5 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.427 -0.014 19205 712 1 5 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.711 -0.441 19205 713 1 5 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.636 -0.521 19205 714 1 5 . 1 1 10 10 ALA H H 10 8.163 8.163 8.068 0.095 19205 715 1 5 . 1 1 11 11 PRO HA H 11 4.331 4.331 5.104 -0.773 19205 716 1 5 . 1 1 11 11 PRO C C 11 176.753 176.753 176.657 0.096 19205 717 1 5 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.104 0.892 19205 718 1 5 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.617 -0.172 19205 719 1 5 . 1 1 12 12 THR N N 12 119.798 119.798 117.384 2.414 19205 720 1 5 . 1 1 12 12 THR HA H 12 4.512 4.512 4.786 -0.274 19205 721 1 5 . 1 1 12 12 THR C C 12 173.572 173.572 174.300 -0.728 19205 722 1 5 . 1 1 12 12 THR CA C 12 62.099 62.099 61.688 0.411 19205 723 1 5 . 1 1 12 12 THR CB C 12 71.060 71.060 70.630 0.430 19205 724 1 5 . 1 1 12 12 THR H H 12 9.006 9.006 8.414 0.592 19205 725 1 5 . 1 1 13 13 SER N N 13 123.494 123.494 121.941 1.553 19205 726 1 5 . 1 1 13 13 SER HA H 13 4.539 4.539 4.338 0.201 19205 727 1 5 . 1 1 13 13 SER C C 13 172.953 172.953 174.383 -1.430 19205 728 1 5 . 1 1 13 13 SER CA C 13 58.421 58.421 58.246 0.175 19205 729 1 5 . 1 1 13 13 SER CB C 13 63.844 63.844 62.904 0.940 19205 730 1 5 . 1 1 13 13 SER H H 13 8.805 8.805 8.624 0.181 19205 731 1 5 . 1 1 14 14 CYS N N 14 116.548 116.548 120.212 -3.664 19205 732 1 5 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.801 0.139 19205 733 1 5 . 1 1 14 14 CYS C C 14 172.746 172.746 173.644 -0.898 19205 734 1 5 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.743 -2.937 19205 735 1 5 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.810 15.795 19205 736 1 5 . 1 1 14 14 CYS H H 14 8.265 8.265 8.311 -0.046 19205 737 1 5 . 1 1 15 15 SER N N 15 113.958 113.958 114.018 -0.060 19205 738 1 5 . 1 1 15 15 SER HA H 15 4.531 4.531 4.657 -0.126 19205 739 1 5 . 1 1 15 15 SER C C 15 173.205 173.205 173.764 -0.559 19205 740 1 5 . 1 1 15 15 SER CA C 15 58.826 58.826 58.635 0.191 19205 741 1 5 . 1 1 15 15 SER CB C 15 65.097 65.097 65.124 -0.027 19205 742 1 5 . 1 1 15 15 SER H H 15 9.497 9.497 9.252 0.245 19205 743 1 5 . 1 1 16 16 GLN N N 16 118.516 118.516 118.724 -0.208 19205 744 1 5 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.693 0.051 19205 745 1 5 . 1 1 16 16 GLN C C 16 176.335 176.335 174.604 1.731 19205 746 1 5 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.592 -0.651 19205 747 1 5 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.099 0.223 19205 748 1 5 . 1 1 16 16 GLN H H 16 8.049 8.049 8.004 0.045 19205 749 1 5 . 1 1 17 17 ASP N N 17 124.190 124.190 121.598 2.592 19205 750 1 5 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.435 -0.326 19205 751 1 5 . 1 1 17 17 ASP C C 17 178.349 178.349 178.125 0.224 19205 752 1 5 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.002 1.945 19205 753 1 5 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.224 -0.701 19205 754 1 5 . 1 1 17 17 ASP H H 17 9.208 9.208 8.908 0.300 19205 755 1 5 . 1 1 18 18 SER N N 18 112.259 112.259 112.656 -0.397 19205 756 1 5 . 1 1 18 18 SER HA H 18 4.228 4.228 4.278 -0.050 19205 757 1 5 . 1 1 18 18 SER C C 18 175.037 175.037 175.101 -0.064 19205 758 1 5 . 1 1 18 18 SER CA C 18 60.093 60.093 59.918 0.175 19205 759 1 5 . 1 1 18 18 SER CB C 18 62.134 62.134 62.822 -0.688 19205 760 1 5 . 1 1 18 18 SER H H 18 8.371 8.371 8.210 0.161 19205 761 1 5 . 1 1 19 19 ASP N N 19 120.750 120.750 120.817 -0.067 19205 762 1 5 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.642 -0.051 19205 763 1 5 . 1 1 19 19 ASP C C 19 175.958 175.958 176.438 -0.480 19205 764 1 5 . 1 1 19 19 ASP CA C 19 55.885 55.885 55.000 0.885 19205 765 1 5 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.091 0.931 19205 766 1 5 . 1 1 19 19 ASP H H 19 7.697 7.697 7.713 -0.016 19205 767 1 5 . 1 1 20 20 CYS N N 20 118.125 118.125 116.543 1.582 19205 768 1 5 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.679 0.298 19205 769 1 5 . 1 1 20 20 CYS C C 20 174.152 174.152 174.685 -0.533 19205 770 1 5 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.112 -6.131 19205 771 1 5 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.710 10.264 19205 772 1 5 . 1 1 20 20 CYS H H 20 7.947 7.947 7.696 0.251 19205 773 1 5 . 1 1 21 21 LEU N N 21 121.658 121.658 121.156 0.502 19205 774 1 5 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.382 -0.215 19205 775 1 5 . 1 1 21 21 LEU C C 21 176.589 176.589 177.490 -0.901 19205 776 1 5 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.310 0.576 19205 777 1 5 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.789 0.134 19205 778 1 5 . 1 1 21 21 LEU H H 21 8.522 8.522 8.339 0.183 19205 779 1 5 . 1 1 22 22 ALA N N 22 121.907 121.907 122.896 -0.989 19205 780 1 5 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.176 -0.104 19205 781 1 5 . 1 1 22 22 ALA C C 22 178.382 178.382 178.473 -0.091 19205 782 1 5 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.401 0.564 19205 783 1 5 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.177 -0.233 19205 784 1 5 . 1 1 22 22 ALA H H 22 8.104 8.104 8.437 -0.333 19205 785 1 5 . 1 1 23 23 GLY N N 23 110.790 110.790 112.211 -1.421 19205 786 1 5 . 1 1 23 23 GLY C C 23 174.553 174.553 174.421 0.132 19205 787 1 5 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.703 -0.083 19205 788 1 5 . 1 1 23 23 GLY H H 23 8.644 8.644 8.798 -0.154 19205 789 1 5 . 1 1 24 24 CYS N N 24 119.431 119.431 118.310 1.121 19205 790 1 5 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.905 -0.055 19205 791 1 5 . 1 1 24 24 CYS C C 24 172.768 172.768 173.873 -1.105 19205 792 1 5 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.051 -3.149 19205 793 1 5 . 1 1 24 24 CYS CB C 24 46.168 46.168 30.031 16.137 19205 794 1 5 . 1 1 24 24 CYS H H 24 8.491 8.491 7.646 0.845 19205 795 1 5 . 1 1 25 25 VAL N N 25 115.469 115.469 115.675 -0.206 19205 796 1 5 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.645 -0.278 19205 797 1 5 . 1 1 25 25 VAL C C 25 175.161 175.161 173.811 1.350 19205 798 1 5 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.271 0.056 19205 799 1 5 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.824 0.211 19205 800 1 5 . 1 1 25 25 VAL H H 25 9.324 9.324 9.097 0.227 19205 801 1 5 . 1 1 26 26 CYS N N 26 123.350 123.350 121.265 2.085 19205 802 1 5 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.776 0.034 19205 803 1 5 . 1 1 26 26 CYS C C 26 174.891 174.891 176.231 -1.340 19205 804 1 5 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.620 -3.421 19205 805 1 5 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.494 12.767 19205 806 1 5 . 1 1 26 26 CYS H H 26 9.346 9.346 8.825 0.521 19205 807 1 5 . 1 1 27 27 GLY N N 27 117.742 117.742 116.680 1.062 19205 808 1 5 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.237 1.221 19205 809 1 5 . 1 1 27 27 GLY H H 27 8.259 8.259 8.878 -0.619 19205 810 1 5 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.443 -0.073 19205 811 1 5 . 1 1 28 28 PRO C C 28 176.720 176.720 176.778 -0.058 19205 812 1 5 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.351 0.135 19205 813 1 5 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.635 -0.082 19205 814 1 5 . 1 1 29 29 ASN N N 29 114.300 114.300 116.423 -2.123 19205 815 1 5 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.694 -0.045 19205 816 1 5 . 1 1 29 29 ASN C C 29 175.490 175.490 176.461 -0.971 19205 817 1 5 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.938 -0.603 19205 818 1 5 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.726 -0.160 19205 819 1 5 . 1 1 29 29 ASN H H 29 8.061 8.061 8.210 -0.149 19205 820 1 5 . 1 1 30 30 GLY N N 30 107.086 107.086 107.228 -0.142 19205 821 1 5 . 1 1 30 30 GLY C C 30 173.758 173.758 172.870 0.888 19205 822 1 5 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.098 1.214 19205 823 1 5 . 1 1 30 30 GLY H H 30 8.294 8.294 8.004 0.290 19205 824 1 5 . 1 1 31 31 PHE N N 31 115.129 115.129 118.426 -3.297 19205 825 1 5 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.289 0.061 19205 826 1 5 . 1 1 31 31 PHE C C 31 176.773 176.773 175.277 1.496 19205 827 1 5 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.248 0.162 19205 828 1 5 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.663 -0.189 19205 829 1 5 . 1 1 31 31 PHE H H 31 7.167 7.167 8.396 -1.229 19205 830 1 5 . 1 1 32 32 CYS N N 32 123.123 123.123 121.026 2.097 19205 831 1 5 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.273 -0.174 19205 832 1 5 . 1 1 32 32 CYS C C 32 175.875 175.875 175.825 0.050 19205 833 1 5 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.295 -3.865 19205 834 1 5 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.531 15.556 19205 835 1 5 . 1 1 32 32 CYS H H 32 8.708 8.708 8.921 -0.213 19205 836 1 6 . 1 1 2 2 CYS N N 2 120.511 120.511 118.501 2.010 19205 837 1 6 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.831 0.042 19205 838 1 6 . 1 1 2 2 CYS CA C 2 53.145 53.145 55.362 -2.217 19205 839 1 6 . 1 1 2 2 CYS CB C 2 41.921 41.921 26.898 15.023 19205 840 1 6 . 1 1 2 2 CYS H H 2 8.866 8.866 8.607 0.259 19205 841 1 6 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.225 0.073 19205 842 1 6 . 1 1 3 3 PRO C C 3 176.294 176.294 175.536 0.758 19205 843 1 6 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.053 0.721 19205 844 1 6 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.241 1.650 19205 845 1 6 . 1 1 4 4 GLN N N 4 118.141 118.141 117.869 0.272 19205 846 1 6 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.639 -0.745 19205 847 1 6 . 1 1 4 4 GLN C C 4 176.143 176.143 175.527 0.616 19205 848 1 6 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.275 0.898 19205 849 1 6 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.356 -0.788 19205 850 1 6 . 1 1 4 4 GLN H H 4 7.648 7.648 8.252 -0.604 19205 851 1 6 . 1 1 5 5 GLY N N 5 108.656 108.656 106.819 1.837 19205 852 1 6 . 1 1 5 5 GLY C C 5 173.733 173.733 173.251 0.482 19205 853 1 6 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.490 -0.233 19205 854 1 6 . 1 1 5 5 GLY H H 5 7.759 7.759 8.015 -0.256 19205 855 1 6 . 1 1 6 6 ARG N N 6 119.446 119.446 119.896 -0.450 19205 856 1 6 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.839 -0.450 19205 857 1 6 . 1 1 6 6 ARG C C 6 176.780 176.780 177.249 -0.469 19205 858 1 6 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.535 1.003 19205 859 1 6 . 1 1 6 6 ARG CB C 6 31.543 31.543 32.561 -1.018 19205 860 1 6 . 1 1 6 6 ARG H H 6 7.865 7.865 8.551 -0.686 19205 861 1 6 . 1 1 7 7 GLY N N 7 109.318 109.318 110.191 -0.873 19205 862 1 6 . 1 1 7 7 GLY C C 7 174.275 174.275 174.542 -0.267 19205 863 1 6 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.989 -0.969 19205 864 1 6 . 1 1 7 7 GLY H H 7 8.529 8.529 8.655 -0.126 19205 865 1 6 . 1 1 8 8 ASP N N 8 121.036 121.036 118.466 2.570 19205 866 1 6 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.672 -0.117 19205 867 1 6 . 1 1 8 8 ASP C C 8 175.562 175.562 175.096 0.466 19205 868 1 6 . 1 1 8 8 ASP CA C 8 53.748 53.748 54.103 -0.355 19205 869 1 6 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.885 -0.826 19205 870 1 6 . 1 1 8 8 ASP H H 8 8.414 8.414 8.690 -0.276 19205 871 1 6 . 1 1 9 9 TRP N N 9 121.704 121.704 122.755 -1.051 19205 872 1 6 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.795 -0.302 19205 873 1 6 . 1 1 9 9 TRP C C 9 175.498 175.498 174.695 0.803 19205 874 1 6 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.883 1.211 19205 875 1 6 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.015 0.794 19205 876 1 6 . 1 1 9 9 TRP H H 9 7.814 7.814 7.395 0.419 19205 877 1 6 . 1 1 10 10 ALA N N 10 128.588 128.588 127.538 1.050 19205 878 1 6 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.450 -0.037 19205 879 1 6 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.538 -0.267 19205 880 1 6 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.681 -0.566 19205 881 1 6 . 1 1 10 10 ALA H H 10 8.163 8.163 8.113 0.050 19205 882 1 6 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.790 -0.459 19205 883 1 6 . 1 1 11 11 PRO C C 11 176.753 176.753 176.554 0.199 19205 884 1 6 . 1 1 11 11 PRO CA C 11 62.996 62.996 61.981 1.015 19205 885 1 6 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.385 0.060 19205 886 1 6 . 1 1 12 12 THR N N 12 119.798 119.798 115.937 3.861 19205 887 1 6 . 1 1 12 12 THR HA H 12 4.512 4.512 4.778 -0.266 19205 888 1 6 . 1 1 12 12 THR C C 12 173.572 173.572 174.536 -0.964 19205 889 1 6 . 1 1 12 12 THR CA C 12 62.099 62.099 61.476 0.623 19205 890 1 6 . 1 1 12 12 THR CB C 12 71.060 71.060 70.661 0.399 19205 891 1 6 . 1 1 12 12 THR H H 12 9.006 9.006 8.520 0.486 19205 892 1 6 . 1 1 13 13 SER N N 13 123.494 123.494 121.345 2.149 19205 893 1 6 . 1 1 13 13 SER HA H 13 4.539 4.539 4.600 -0.061 19205 894 1 6 . 1 1 13 13 SER C C 13 172.953 172.953 174.349 -1.396 19205 895 1 6 . 1 1 13 13 SER CA C 13 58.421 58.421 58.256 0.165 19205 896 1 6 . 1 1 13 13 SER CB C 13 63.844 63.844 63.261 0.584 19205 897 1 6 . 1 1 13 13 SER H H 13 8.805 8.805 8.657 0.148 19205 898 1 6 . 1 1 14 14 CYS N N 14 116.548 116.548 119.734 -3.186 19205 899 1 6 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.782 0.158 19205 900 1 6 . 1 1 14 14 CYS C C 14 172.746 172.746 173.615 -0.869 19205 901 1 6 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.915 -3.109 19205 902 1 6 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.613 15.992 19205 903 1 6 . 1 1 14 14 CYS H H 14 8.265 8.265 8.615 -0.350 19205 904 1 6 . 1 1 15 15 SER N N 15 113.958 113.958 114.322 -0.364 19205 905 1 6 . 1 1 15 15 SER HA H 15 4.531 4.531 4.666 -0.135 19205 906 1 6 . 1 1 15 15 SER C C 15 173.205 173.205 173.848 -0.643 19205 907 1 6 . 1 1 15 15 SER CA C 15 58.826 58.826 58.782 0.044 19205 908 1 6 . 1 1 15 15 SER CB C 15 65.097 65.097 65.024 0.073 19205 909 1 6 . 1 1 15 15 SER H H 15 9.497 9.497 9.200 0.297 19205 910 1 6 . 1 1 16 16 GLN N N 16 118.516 118.516 119.280 -0.764 19205 911 1 6 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.725 0.019 19205 912 1 6 . 1 1 16 16 GLN C C 16 176.335 176.335 174.527 1.808 19205 913 1 6 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.779 -0.838 19205 914 1 6 . 1 1 16 16 GLN CB C 16 31.323 31.323 30.925 0.397 19205 915 1 6 . 1 1 16 16 GLN H H 16 8.049 8.049 7.993 0.056 19205 916 1 6 . 1 1 17 17 ASP N N 17 124.190 124.190 121.383 2.807 19205 917 1 6 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.517 -0.408 19205 918 1 6 . 1 1 17 17 ASP C C 17 178.349 178.349 178.139 0.210 19205 919 1 6 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.008 1.940 19205 920 1 6 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.286 -0.763 19205 921 1 6 . 1 1 17 17 ASP H H 17 9.208 9.208 8.911 0.297 19205 922 1 6 . 1 1 18 18 SER N N 18 112.259 112.259 112.446 -0.187 19205 923 1 6 . 1 1 18 18 SER HA H 18 4.228 4.228 4.303 -0.075 19205 924 1 6 . 1 1 18 18 SER C C 18 175.037 175.037 174.987 0.050 19205 925 1 6 . 1 1 18 18 SER CA C 18 60.093 60.093 59.620 0.473 19205 926 1 6 . 1 1 18 18 SER CB C 18 62.134 62.134 62.942 -0.808 19205 927 1 6 . 1 1 18 18 SER H H 18 8.371 8.371 8.181 0.190 19205 928 1 6 . 1 1 19 19 ASP N N 19 120.750 120.750 120.435 0.315 19205 929 1 6 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.712 -0.120 19205 930 1 6 . 1 1 19 19 ASP C C 19 175.958 175.958 176.096 -0.138 19205 931 1 6 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.774 1.111 19205 932 1 6 . 1 1 19 19 ASP CB C 19 42.022 42.022 40.996 1.026 19205 933 1 6 . 1 1 19 19 ASP H H 19 7.697 7.697 7.696 0.001 19205 934 1 6 . 1 1 20 20 CYS N N 20 118.125 118.125 116.436 1.689 19205 935 1 6 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.622 0.355 19205 936 1 6 . 1 1 20 20 CYS C C 20 174.152 174.152 175.134 -0.982 19205 937 1 6 . 1 1 20 20 CYS CA C 20 51.981 51.981 57.952 -5.971 19205 938 1 6 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.291 10.683 19205 939 1 6 . 1 1 20 20 CYS H H 20 7.947 7.947 7.543 0.404 19205 940 1 6 . 1 1 21 21 LEU N N 21 121.658 121.658 121.282 0.376 19205 941 1 6 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.361 -0.194 19205 942 1 6 . 1 1 21 21 LEU C C 21 176.589 176.589 177.546 -0.957 19205 943 1 6 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.463 0.423 19205 944 1 6 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.656 0.267 19205 945 1 6 . 1 1 21 21 LEU H H 21 8.522 8.522 8.533 -0.011 19205 946 1 6 . 1 1 22 22 ALA N N 22 121.907 121.907 123.119 -1.212 19205 947 1 6 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.131 -0.059 19205 948 1 6 . 1 1 22 22 ALA C C 22 178.382 178.382 178.509 -0.127 19205 949 1 6 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.622 0.343 19205 950 1 6 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.168 -0.224 19205 951 1 6 . 1 1 22 22 ALA H H 22 8.104 8.104 8.449 -0.345 19205 952 1 6 . 1 1 23 23 GLY N N 23 110.790 110.790 112.436 -1.646 19205 953 1 6 . 1 1 23 23 GLY C C 23 174.553 174.553 174.652 -0.099 19205 954 1 6 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.799 -0.178 19205 955 1 6 . 1 1 23 23 GLY H H 23 8.644 8.644 8.732 -0.088 19205 956 1 6 . 1 1 24 24 CYS N N 24 119.431 119.431 119.775 -0.344 19205 957 1 6 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.737 0.113 19205 958 1 6 . 1 1 24 24 CYS C C 24 172.768 172.768 174.506 -1.738 19205 959 1 6 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.890 -3.988 19205 960 1 6 . 1 1 24 24 CYS CB C 24 46.168 46.168 28.802 17.366 19205 961 1 6 . 1 1 24 24 CYS H H 24 8.491 8.491 7.686 0.805 19205 962 1 6 . 1 1 25 25 VAL N N 25 115.469 115.469 116.512 -1.043 19205 963 1 6 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.630 -0.263 19205 964 1 6 . 1 1 25 25 VAL C C 25 175.161 175.161 174.060 1.101 19205 965 1 6 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.213 0.114 19205 966 1 6 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.706 0.329 19205 967 1 6 . 1 1 25 25 VAL H H 25 9.324 9.324 9.129 0.195 19205 968 1 6 . 1 1 26 26 CYS N N 26 123.350 123.350 121.541 1.809 19205 969 1 6 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.830 -0.020 19205 970 1 6 . 1 1 26 26 CYS C C 26 174.891 174.891 176.163 -1.272 19205 971 1 6 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.884 -3.685 19205 972 1 6 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.518 12.742 19205 973 1 6 . 1 1 26 26 CYS H H 26 9.346 9.346 8.888 0.458 19205 974 1 6 . 1 1 27 27 GLY N N 27 117.742 117.742 116.734 1.008 19205 975 1 6 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.175 1.283 19205 976 1 6 . 1 1 27 27 GLY H H 27 8.259 8.259 8.968 -0.709 19205 977 1 6 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.444 -0.074 19205 978 1 6 . 1 1 28 28 PRO C C 28 176.720 176.720 176.764 -0.044 19205 979 1 6 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.375 0.111 19205 980 1 6 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.647 -0.094 19205 981 1 6 . 1 1 29 29 ASN N N 29 114.300 114.300 116.340 -2.040 19205 982 1 6 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.692 -0.043 19205 983 1 6 . 1 1 29 29 ASN C C 29 175.490 175.490 176.404 -0.914 19205 984 1 6 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.861 -0.526 19205 985 1 6 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.570 -0.004 19205 986 1 6 . 1 1 29 29 ASN H H 29 8.061 8.061 8.209 -0.148 19205 987 1 6 . 1 1 30 30 GLY N N 30 107.086 107.086 107.258 -0.172 19205 988 1 6 . 1 1 30 30 GLY C C 30 173.758 173.758 172.889 0.869 19205 989 1 6 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.248 1.064 19205 990 1 6 . 1 1 30 30 GLY H H 30 8.294 8.294 7.998 0.296 19205 991 1 6 . 1 1 31 31 PHE N N 31 115.129 115.129 118.489 -3.360 19205 992 1 6 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.343 0.007 19205 993 1 6 . 1 1 31 31 PHE C C 31 176.773 176.773 175.352 1.421 19205 994 1 6 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.055 0.355 19205 995 1 6 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.465 0.009 19205 996 1 6 . 1 1 31 31 PHE H H 31 7.167 7.167 8.219 -1.052 19205 997 1 6 . 1 1 32 32 CYS N N 32 123.123 123.123 120.558 2.565 19205 998 1 6 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.151 -0.052 19205 999 1 6 . 1 1 32 32 CYS C C 32 175.875 175.875 175.845 0.030 19205 1000 1 6 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.331 -3.901 19205 1001 1 6 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.731 15.356 19205 1002 1 6 . 1 1 32 32 CYS H H 32 8.708 8.708 8.991 -0.283 19205 1003 1 7 . 1 1 2 2 CYS N N 2 120.511 120.511 116.752 3.759 19205 1004 1 7 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.982 -0.109 19205 1005 1 7 . 1 1 2 2 CYS CA C 2 53.145 53.145 56.012 -2.867 19205 1006 1 7 . 1 1 2 2 CYS CB C 2 41.921 41.921 29.199 12.722 19205 1007 1 7 . 1 1 2 2 CYS H H 2 8.866 8.866 8.519 0.347 19205 1008 1 7 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.263 0.035 19205 1009 1 7 . 1 1 3 3 PRO C C 3 176.294 176.294 175.804 0.490 19205 1010 1 7 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.393 0.381 19205 1011 1 7 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.557 1.334 19205 1012 1 7 . 1 1 4 4 GLN N N 4 118.141 118.141 116.629 1.512 19205 1013 1 7 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.669 -0.775 19205 1014 1 7 . 1 1 4 4 GLN C C 4 176.143 176.143 175.423 0.720 19205 1015 1 7 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.386 0.787 19205 1016 1 7 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.939 -1.371 19205 1017 1 7 . 1 1 4 4 GLN H H 4 7.648 7.648 8.084 -0.436 19205 1018 1 7 . 1 1 5 5 GLY N N 5 108.656 108.656 106.772 1.884 19205 1019 1 7 . 1 1 5 5 GLY C C 5 173.733 173.733 173.822 -0.089 19205 1020 1 7 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.749 -0.492 19205 1021 1 7 . 1 1 5 5 GLY H H 5 7.759 7.759 7.604 0.155 19205 1022 1 7 . 1 1 6 6 ARG N N 6 119.446 119.446 120.511 -1.065 19205 1023 1 7 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.818 -0.429 19205 1024 1 7 . 1 1 6 6 ARG C C 6 176.780 176.780 177.152 -0.372 19205 1025 1 7 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.300 1.238 19205 1026 1 7 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.163 0.380 19205 1027 1 7 . 1 1 6 6 ARG H H 6 7.865 7.865 7.766 0.099 19205 1028 1 7 . 1 1 7 7 GLY N N 7 109.318 109.318 109.294 0.024 19205 1029 1 7 . 1 1 7 7 GLY C C 7 174.275 174.275 174.875 -0.600 19205 1030 1 7 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.541 -0.521 19205 1031 1 7 . 1 1 7 7 GLY H H 7 8.529 8.529 8.559 -0.030 19205 1032 1 7 . 1 1 8 8 ASP N N 8 121.036 121.036 119.512 1.524 19205 1033 1 7 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.725 -0.170 19205 1034 1 7 . 1 1 8 8 ASP C C 8 175.562 175.562 176.361 -0.799 19205 1035 1 7 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.948 -0.200 19205 1036 1 7 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.843 -0.784 19205 1037 1 7 . 1 1 8 8 ASP H H 8 8.414 8.414 8.661 -0.247 19205 1038 1 7 . 1 1 9 9 TRP N N 9 121.704 121.704 122.283 -0.579 19205 1039 1 7 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.624 -0.131 19205 1040 1 7 . 1 1 9 9 TRP C C 9 175.498 175.498 175.217 0.281 19205 1041 1 7 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.946 1.148 19205 1042 1 7 . 1 1 9 9 TRP CB C 9 29.809 29.809 28.059 1.750 19205 1043 1 7 . 1 1 9 9 TRP H H 9 7.814 7.814 8.242 -0.428 19205 1044 1 7 . 1 1 10 10 ALA N N 10 128.588 128.588 127.695 0.893 19205 1045 1 7 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.426 -0.013 19205 1046 1 7 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.566 -0.296 19205 1047 1 7 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.742 -0.627 19205 1048 1 7 . 1 1 10 10 ALA H H 10 8.163 8.163 7.724 0.439 19205 1049 1 7 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.871 -0.540 19205 1050 1 7 . 1 1 11 11 PRO C C 11 176.753 176.753 176.593 0.160 19205 1051 1 7 . 1 1 11 11 PRO CA C 11 62.996 62.996 61.857 1.139 19205 1052 1 7 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.551 -0.106 19205 1053 1 7 . 1 1 12 12 THR N N 12 119.798 119.798 116.078 3.720 19205 1054 1 7 . 1 1 12 12 THR HA H 12 4.512 4.512 4.746 -0.234 19205 1055 1 7 . 1 1 12 12 THR C C 12 173.572 173.572 174.682 -1.110 19205 1056 1 7 . 1 1 12 12 THR CA C 12 62.099 62.099 61.873 0.226 19205 1057 1 7 . 1 1 12 12 THR CB C 12 71.060 71.060 70.563 0.497 19205 1058 1 7 . 1 1 12 12 THR H H 12 9.006 9.006 8.487 0.519 19205 1059 1 7 . 1 1 13 13 SER N N 13 123.494 123.494 121.841 1.653 19205 1060 1 7 . 1 1 13 13 SER HA H 13 4.539 4.539 4.273 0.266 19205 1061 1 7 . 1 1 13 13 SER C C 13 172.953 172.953 174.452 -1.499 19205 1062 1 7 . 1 1 13 13 SER CA C 13 58.421 58.421 58.323 0.098 19205 1063 1 7 . 1 1 13 13 SER CB C 13 63.844 63.844 62.836 1.008 19205 1064 1 7 . 1 1 13 13 SER H H 13 8.805 8.805 8.742 0.063 19205 1065 1 7 . 1 1 14 14 CYS N N 14 116.548 116.548 121.280 -4.732 19205 1066 1 7 . 1 1 14 14 CYS HA H 14 4.940 4.940 5.033 -0.093 19205 1067 1 7 . 1 1 14 14 CYS C C 14 172.746 172.746 173.523 -0.777 19205 1068 1 7 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.715 -2.909 19205 1069 1 7 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.604 16.001 19205 1070 1 7 . 1 1 14 14 CYS H H 14 8.265 8.265 8.565 -0.300 19205 1071 1 7 . 1 1 15 15 SER N N 15 113.958 113.958 114.100 -0.142 19205 1072 1 7 . 1 1 15 15 SER HA H 15 4.531 4.531 4.604 -0.073 19205 1073 1 7 . 1 1 15 15 SER C C 15 173.205 173.205 173.766 -0.561 19205 1074 1 7 . 1 1 15 15 SER CA C 15 58.826 58.826 58.513 0.313 19205 1075 1 7 . 1 1 15 15 SER CB C 15 65.097 65.097 64.749 0.348 19205 1076 1 7 . 1 1 15 15 SER H H 15 9.497 9.497 9.170 0.327 19205 1077 1 7 . 1 1 16 16 GLN N N 16 118.516 118.516 118.929 -0.413 19205 1078 1 7 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.702 0.042 19205 1079 1 7 . 1 1 16 16 GLN C C 16 176.335 176.335 174.587 1.748 19205 1080 1 7 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.666 -0.725 19205 1081 1 7 . 1 1 16 16 GLN CB C 16 31.323 31.323 30.943 0.380 19205 1082 1 7 . 1 1 16 16 GLN H H 16 8.049 8.049 7.788 0.261 19205 1083 1 7 . 1 1 17 17 ASP N N 17 124.190 124.190 121.411 2.779 19205 1084 1 7 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.450 -0.341 19205 1085 1 7 . 1 1 17 17 ASP C C 17 178.349 178.349 178.180 0.169 19205 1086 1 7 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.060 1.887 19205 1087 1 7 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.224 -0.701 19205 1088 1 7 . 1 1 17 17 ASP H H 17 9.208 9.208 8.929 0.279 19205 1089 1 7 . 1 1 18 18 SER N N 18 112.259 112.259 113.030 -0.771 19205 1090 1 7 . 1 1 18 18 SER HA H 18 4.228 4.228 4.269 -0.041 19205 1091 1 7 . 1 1 18 18 SER C C 18 175.037 175.037 175.129 -0.092 19205 1092 1 7 . 1 1 18 18 SER CA C 18 60.093 60.093 59.981 0.112 19205 1093 1 7 . 1 1 18 18 SER CB C 18 62.134 62.134 62.952 -0.818 19205 1094 1 7 . 1 1 18 18 SER H H 18 8.371 8.371 8.200 0.171 19205 1095 1 7 . 1 1 19 19 ASP N N 19 120.750 120.750 120.840 -0.090 19205 1096 1 7 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.646 -0.055 19205 1097 1 7 . 1 1 19 19 ASP C C 19 175.958 175.958 176.368 -0.410 19205 1098 1 7 . 1 1 19 19 ASP CA C 19 55.885 55.885 55.033 0.852 19205 1099 1 7 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.103 0.919 19205 1100 1 7 . 1 1 19 19 ASP H H 19 7.697 7.697 7.689 0.008 19205 1101 1 7 . 1 1 20 20 CYS N N 20 118.125 118.125 116.250 1.875 19205 1102 1 7 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.708 0.269 19205 1103 1 7 . 1 1 20 20 CYS C C 20 174.152 174.152 174.549 -0.397 19205 1104 1 7 . 1 1 20 20 CYS CA C 20 51.981 51.981 57.909 -5.928 19205 1105 1 7 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.993 9.981 19205 1106 1 7 . 1 1 20 20 CYS H H 20 7.947 7.947 7.668 0.279 19205 1107 1 7 . 1 1 21 21 LEU N N 21 121.658 121.658 121.374 0.284 19205 1108 1 7 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.361 -0.194 19205 1109 1 7 . 1 1 21 21 LEU C C 21 176.589 176.589 177.425 -0.836 19205 1110 1 7 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.507 0.380 19205 1111 1 7 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.737 0.186 19205 1112 1 7 . 1 1 21 21 LEU H H 21 8.522 8.522 8.328 0.194 19205 1113 1 7 . 1 1 22 22 ALA N N 22 121.907 121.907 122.590 -0.683 19205 1114 1 7 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.255 -0.183 19205 1115 1 7 . 1 1 22 22 ALA C C 22 178.382 178.382 178.501 -0.119 19205 1116 1 7 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.275 0.690 19205 1117 1 7 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.640 -0.696 19205 1118 1 7 . 1 1 22 22 ALA H H 22 8.104 8.104 8.412 -0.308 19205 1119 1 7 . 1 1 23 23 GLY N N 23 110.790 110.790 110.957 -0.167 19205 1120 1 7 . 1 1 23 23 GLY C C 23 174.553 174.553 174.307 0.246 19205 1121 1 7 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.984 -0.363 19205 1122 1 7 . 1 1 23 23 GLY H H 23 8.644 8.644 8.638 0.006 19205 1123 1 7 . 1 1 24 24 CYS N N 24 119.431 119.431 119.548 -0.117 19205 1124 1 7 . 1 1 24 24 CYS HA H 24 4.850 4.850 5.256 -0.406 19205 1125 1 7 . 1 1 24 24 CYS C C 24 172.768 172.768 173.896 -1.128 19205 1126 1 7 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.764 -3.862 19205 1127 1 7 . 1 1 24 24 CYS CB C 24 46.168 46.168 30.064 16.105 19205 1128 1 7 . 1 1 24 24 CYS H H 24 8.491 8.491 7.622 0.869 19205 1129 1 7 . 1 1 25 25 VAL N N 25 115.469 115.469 117.382 -1.913 19205 1130 1 7 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.650 -0.283 19205 1131 1 7 . 1 1 25 25 VAL C C 25 175.161 175.161 173.712 1.449 19205 1132 1 7 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.830 0.498 19205 1133 1 7 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.208 0.827 19205 1134 1 7 . 1 1 25 25 VAL H H 25 9.324 9.324 9.172 0.152 19205 1135 1 7 . 1 1 26 26 CYS N N 26 123.350 123.350 120.724 2.626 19205 1136 1 7 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.695 0.115 19205 1137 1 7 . 1 1 26 26 CYS C C 26 174.891 174.891 176.012 -1.121 19205 1138 1 7 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.969 -3.770 19205 1139 1 7 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.747 12.513 19205 1140 1 7 . 1 1 26 26 CYS H H 26 9.346 9.346 8.739 0.607 19205 1141 1 7 . 1 1 27 27 GLY N N 27 117.742 117.742 116.764 0.978 19205 1142 1 7 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.151 1.307 19205 1143 1 7 . 1 1 27 27 GLY H H 27 8.259 8.259 8.931 -0.672 19205 1144 1 7 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.431 -0.061 19205 1145 1 7 . 1 1 28 28 PRO C C 28 176.720 176.720 176.837 -0.117 19205 1146 1 7 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.398 0.088 19205 1147 1 7 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.672 -0.119 19205 1148 1 7 . 1 1 29 29 ASN N N 29 114.300 114.300 116.415 -2.115 19205 1149 1 7 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.679 -0.030 19205 1150 1 7 . 1 1 29 29 ASN C C 29 175.490 175.490 176.408 -0.918 19205 1151 1 7 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.945 -0.610 19205 1152 1 7 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.605 -0.039 19205 1153 1 7 . 1 1 29 29 ASN H H 29 8.061 8.061 8.239 -0.178 19205 1154 1 7 . 1 1 30 30 GLY N N 30 107.086 107.086 107.124 -0.038 19205 1155 1 7 . 1 1 30 30 GLY C C 30 173.758 173.758 172.893 0.865 19205 1156 1 7 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.107 1.205 19205 1157 1 7 . 1 1 30 30 GLY H H 30 8.294 8.294 7.961 0.333 19205 1158 1 7 . 1 1 31 31 PHE N N 31 115.129 115.129 118.603 -3.474 19205 1159 1 7 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.402 -0.052 19205 1160 1 7 . 1 1 31 31 PHE C C 31 176.773 176.773 175.386 1.387 19205 1161 1 7 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.147 0.263 19205 1162 1 7 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.697 -0.223 19205 1163 1 7 . 1 1 31 31 PHE H H 31 7.167 7.167 8.248 -1.081 19205 1164 1 7 . 1 1 32 32 CYS N N 32 123.123 123.123 120.642 2.481 19205 1165 1 7 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.162 -0.062 19205 1166 1 7 . 1 1 32 32 CYS C C 32 175.875 175.875 175.907 -0.032 19205 1167 1 7 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.296 -3.866 19205 1168 1 7 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.431 15.656 19205 1169 1 7 . 1 1 32 32 CYS H H 32 8.708 8.708 8.927 -0.219 19205 1170 1 8 . 1 1 2 2 CYS N N 2 120.511 120.511 117.216 3.295 19205 1171 1 8 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.989 -0.116 19205 1172 1 8 . 1 1 2 2 CYS CA C 2 53.145 53.145 57.264 -4.119 19205 1173 1 8 . 1 1 2 2 CYS CB C 2 41.921 41.921 28.756 13.165 19205 1174 1 8 . 1 1 2 2 CYS H H 2 8.866 8.866 8.141 0.725 19205 1175 1 8 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.217 0.081 19205 1176 1 8 . 1 1 3 3 PRO C C 3 176.294 176.294 175.943 0.351 19205 1177 1 8 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.337 0.437 19205 1178 1 8 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.709 1.182 19205 1179 1 8 . 1 1 4 4 GLN N N 4 118.141 118.141 118.459 -0.318 19205 1180 1 8 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.661 -0.767 19205 1181 1 8 . 1 1 4 4 GLN C C 4 176.143 176.143 175.433 0.710 19205 1182 1 8 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.226 0.947 19205 1183 1 8 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.023 -0.455 19205 1184 1 8 . 1 1 4 4 GLN H H 4 7.648 7.648 8.116 -0.468 19205 1185 1 8 . 1 1 5 5 GLY N N 5 108.656 108.656 106.863 1.793 19205 1186 1 8 . 1 1 5 5 GLY C C 5 173.733 173.733 174.185 -0.452 19205 1187 1 8 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.078 0.179 19205 1188 1 8 . 1 1 5 5 GLY H H 5 7.759 7.759 7.689 0.070 19205 1189 1 8 . 1 1 6 6 ARG N N 6 119.446 119.446 120.482 -1.036 19205 1190 1 8 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.559 -0.170 19205 1191 1 8 . 1 1 6 6 ARG C C 6 176.780 176.780 178.097 -1.317 19205 1192 1 8 . 1 1 6 6 ARG CA C 6 55.538 55.538 55.138 0.400 19205 1193 1 8 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.136 0.407 19205 1194 1 8 . 1 1 6 6 ARG H H 6 7.865 7.865 7.621 0.244 19205 1195 1 8 . 1 1 7 7 GLY N N 7 109.318 109.318 109.856 -0.538 19205 1196 1 8 . 1 1 7 7 GLY C C 7 174.275 174.275 174.991 -0.716 19205 1197 1 8 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.029 -1.009 19205 1198 1 8 . 1 1 7 7 GLY H H 7 8.529 8.529 8.744 -0.215 19205 1199 1 8 . 1 1 8 8 ASP N N 8 121.036 121.036 120.514 0.522 19205 1200 1 8 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.715 -0.160 19205 1201 1 8 . 1 1 8 8 ASP C C 8 175.562 175.562 175.324 0.238 19205 1202 1 8 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.647 0.101 19205 1203 1 8 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.210 -0.151 19205 1204 1 8 . 1 1 8 8 ASP H H 8 8.414 8.414 8.624 -0.210 19205 1205 1 8 . 1 1 9 9 TRP N N 9 121.704 121.704 121.967 -0.263 19205 1206 1 8 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.794 -0.301 19205 1207 1 8 . 1 1 9 9 TRP C C 9 175.498 175.498 175.033 0.465 19205 1208 1 8 . 1 1 9 9 TRP CA C 9 57.094 57.094 56.023 1.071 19205 1209 1 8 . 1 1 9 9 TRP CB C 9 29.809 29.809 30.204 -0.395 19205 1210 1 8 . 1 1 9 9 TRP H H 9 7.814 7.814 7.596 0.218 19205 1211 1 8 . 1 1 10 10 ALA N N 10 128.588 128.588 128.695 -0.107 19205 1212 1 8 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.384 0.029 19205 1213 1 8 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.780 -0.510 19205 1214 1 8 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.390 -0.275 19205 1215 1 8 . 1 1 10 10 ALA H H 10 8.163 8.163 8.233 -0.070 19205 1216 1 8 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.997 -0.666 19205 1217 1 8 . 1 1 11 11 PRO C C 11 176.753 176.753 176.702 0.051 19205 1218 1 8 . 1 1 11 11 PRO CA C 11 62.996 62.996 61.904 1.092 19205 1219 1 8 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.689 -0.244 19205 1220 1 8 . 1 1 12 12 THR N N 12 119.798 119.798 117.240 2.558 19205 1221 1 8 . 1 1 12 12 THR HA H 12 4.512 4.512 4.716 -0.204 19205 1222 1 8 . 1 1 12 12 THR C C 12 173.572 173.572 174.583 -1.011 19205 1223 1 8 . 1 1 12 12 THR CA C 12 62.099 62.099 62.142 -0.044 19205 1224 1 8 . 1 1 12 12 THR CB C 12 71.060 71.060 70.099 0.961 19205 1225 1 8 . 1 1 12 12 THR H H 12 9.006 9.006 8.333 0.673 19205 1226 1 8 . 1 1 13 13 SER N N 13 123.494 123.494 121.895 1.599 19205 1227 1 8 . 1 1 13 13 SER HA H 13 4.539 4.539 4.342 0.197 19205 1228 1 8 . 1 1 13 13 SER C C 13 172.953 172.953 174.380 -1.427 19205 1229 1 8 . 1 1 13 13 SER CA C 13 58.421 58.421 58.148 0.273 19205 1230 1 8 . 1 1 13 13 SER CB C 13 63.844 63.844 62.989 0.855 19205 1231 1 8 . 1 1 13 13 SER H H 13 8.805 8.805 8.716 0.089 19205 1232 1 8 . 1 1 14 14 CYS N N 14 116.548 116.548 120.635 -4.087 19205 1233 1 8 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.847 0.093 19205 1234 1 8 . 1 1 14 14 CYS C C 14 172.746 172.746 173.767 -1.021 19205 1235 1 8 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.714 -2.908 19205 1236 1 8 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.660 15.945 19205 1237 1 8 . 1 1 14 14 CYS H H 14 8.265 8.265 8.491 -0.226 19205 1238 1 8 . 1 1 15 15 SER N N 15 113.958 113.958 114.304 -0.346 19205 1239 1 8 . 1 1 15 15 SER HA H 15 4.531 4.531 4.603 -0.071 19205 1240 1 8 . 1 1 15 15 SER C C 15 173.205 173.205 173.963 -0.758 19205 1241 1 8 . 1 1 15 15 SER CA C 15 58.826 58.826 58.999 -0.173 19205 1242 1 8 . 1 1 15 15 SER CB C 15 65.097 65.097 64.899 0.198 19205 1243 1 8 . 1 1 15 15 SER H H 15 9.497 9.497 9.076 0.421 19205 1244 1 8 . 1 1 16 16 GLN N N 16 118.516 118.516 119.390 -0.874 19205 1245 1 8 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.756 -0.012 19205 1246 1 8 . 1 1 16 16 GLN C C 16 176.335 176.335 174.638 1.697 19205 1247 1 8 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.689 -0.748 19205 1248 1 8 . 1 1 16 16 GLN CB C 16 31.323 31.323 30.930 0.393 19205 1249 1 8 . 1 1 16 16 GLN H H 16 8.049 8.049 7.831 0.218 19205 1250 1 8 . 1 1 17 17 ASP N N 17 124.190 124.190 121.724 2.466 19205 1251 1 8 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.467 -0.358 19205 1252 1 8 . 1 1 17 17 ASP C C 17 178.349 178.349 177.854 0.495 19205 1253 1 8 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.062 1.885 19205 1254 1 8 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.350 -0.827 19205 1255 1 8 . 1 1 17 17 ASP H H 17 9.208 9.208 8.874 0.334 19205 1256 1 8 . 1 1 18 18 SER N N 18 112.259 112.259 111.097 1.162 19205 1257 1 8 . 1 1 18 18 SER HA H 18 4.228 4.228 4.296 -0.068 19205 1258 1 8 . 1 1 18 18 SER C C 18 175.037 175.037 174.571 0.466 19205 1259 1 8 . 1 1 18 18 SER CA C 18 60.093 60.093 59.340 0.753 19205 1260 1 8 . 1 1 18 18 SER CB C 18 62.134 62.134 62.805 -0.671 19205 1261 1 8 . 1 1 18 18 SER H H 18 8.371 8.371 8.089 0.282 19205 1262 1 8 . 1 1 19 19 ASP N N 19 120.750 120.750 121.247 -0.497 19205 1263 1 8 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.792 -0.201 19205 1264 1 8 . 1 1 19 19 ASP C C 19 175.958 175.958 176.092 -0.134 19205 1265 1 8 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.635 1.250 19205 1266 1 8 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.432 0.590 19205 1267 1 8 . 1 1 19 19 ASP H H 19 7.697 7.697 7.961 -0.264 19205 1268 1 8 . 1 1 20 20 CYS N N 20 118.125 118.125 116.859 1.266 19205 1269 1 8 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.706 0.271 19205 1270 1 8 . 1 1 20 20 CYS C C 20 174.152 174.152 174.854 -0.702 19205 1271 1 8 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.223 -6.242 19205 1272 1 8 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.881 10.093 19205 1273 1 8 . 1 1 20 20 CYS H H 20 7.947 7.947 7.655 0.292 19205 1274 1 8 . 1 1 21 21 LEU N N 21 121.658 121.658 121.629 0.029 19205 1275 1 8 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.354 -0.187 19205 1276 1 8 . 1 1 21 21 LEU C C 21 176.589 176.589 177.380 -0.791 19205 1277 1 8 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.429 0.457 19205 1278 1 8 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.752 0.171 19205 1279 1 8 . 1 1 21 21 LEU H H 21 8.522 8.522 8.448 0.074 19205 1280 1 8 . 1 1 22 22 ALA N N 22 121.907 121.907 123.414 -1.507 19205 1281 1 8 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.145 -0.073 19205 1282 1 8 . 1 1 22 22 ALA C C 22 178.382 178.382 178.524 -0.142 19205 1283 1 8 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.643 0.322 19205 1284 1 8 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.289 -0.345 19205 1285 1 8 . 1 1 22 22 ALA H H 22 8.104 8.104 8.473 -0.369 19205 1286 1 8 . 1 1 23 23 GLY N N 23 110.790 110.790 112.328 -1.538 19205 1287 1 8 . 1 1 23 23 GLY C C 23 174.553 174.553 174.725 -0.172 19205 1288 1 8 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.775 -0.154 19205 1289 1 8 . 1 1 23 23 GLY H H 23 8.644 8.644 8.749 -0.105 19205 1290 1 8 . 1 1 24 24 CYS N N 24 119.431 119.431 119.296 0.135 19205 1291 1 8 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.817 0.033 19205 1292 1 8 . 1 1 24 24 CYS C C 24 172.768 172.768 174.125 -1.357 19205 1293 1 8 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.562 -3.659 19205 1294 1 8 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.237 16.931 19205 1295 1 8 . 1 1 24 24 CYS H H 24 8.491 8.491 7.782 0.709 19205 1296 1 8 . 1 1 25 25 VAL N N 25 115.469 115.469 117.106 -1.637 19205 1297 1 8 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.803 -0.436 19205 1298 1 8 . 1 1 25 25 VAL C C 25 175.161 175.161 173.908 1.253 19205 1299 1 8 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.830 0.497 19205 1300 1 8 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.501 0.534 19205 1301 1 8 . 1 1 25 25 VAL H H 25 9.324 9.324 8.893 0.431 19205 1302 1 8 . 1 1 26 26 CYS N N 26 123.350 123.350 121.481 1.869 19205 1303 1 8 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.798 0.012 19205 1304 1 8 . 1 1 26 26 CYS C C 26 174.891 174.891 176.058 -1.167 19205 1305 1 8 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.787 -3.588 19205 1306 1 8 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.595 12.665 19205 1307 1 8 . 1 1 26 26 CYS H H 26 9.346 9.346 8.805 0.541 19205 1308 1 8 . 1 1 27 27 GLY N N 27 117.742 117.742 116.730 1.012 19205 1309 1 8 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.031 1.427 19205 1310 1 8 . 1 1 27 27 GLY H H 27 8.259 8.259 8.908 -0.649 19205 1311 1 8 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.427 -0.057 19205 1312 1 8 . 1 1 28 28 PRO C C 28 176.720 176.720 176.894 -0.174 19205 1313 1 8 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.427 0.059 19205 1314 1 8 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.663 -0.110 19205 1315 1 8 . 1 1 29 29 ASN N N 29 114.300 114.300 116.600 -2.300 19205 1316 1 8 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.677 -0.028 19205 1317 1 8 . 1 1 29 29 ASN C C 29 175.490 175.490 176.483 -0.993 19205 1318 1 8 . 1 1 29 29 ASN CA C 29 52.335 52.335 53.112 -0.777 19205 1319 1 8 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.684 -0.118 19205 1320 1 8 . 1 1 29 29 ASN H H 29 8.061 8.061 8.270 -0.209 19205 1321 1 8 . 1 1 30 30 GLY N N 30 107.086 107.086 107.041 0.045 19205 1322 1 8 . 1 1 30 30 GLY C C 30 173.758 173.758 172.937 0.821 19205 1323 1 8 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.003 1.309 19205 1324 1 8 . 1 1 30 30 GLY H H 30 8.294 8.294 7.920 0.374 19205 1325 1 8 . 1 1 31 31 PHE N N 31 115.129 115.129 118.418 -3.289 19205 1326 1 8 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.323 0.027 19205 1327 1 8 . 1 1 31 31 PHE C C 31 176.773 176.773 175.272 1.501 19205 1328 1 8 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.318 0.092 19205 1329 1 8 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.775 -0.301 19205 1330 1 8 . 1 1 31 31 PHE H H 31 7.167 7.167 8.411 -1.244 19205 1331 1 8 . 1 1 32 32 CYS N N 32 123.123 123.123 120.633 2.490 19205 1332 1 8 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.188 -0.089 19205 1333 1 8 . 1 1 32 32 CYS C C 32 175.875 175.875 175.635 0.240 19205 1334 1 8 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.566 -4.136 19205 1335 1 8 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.442 15.645 19205 1336 1 8 . 1 1 32 32 CYS H H 32 8.708 8.708 8.789 -0.081 19205 1337 1 9 . 1 1 2 2 CYS N N 2 120.511 120.511 118.417 2.094 19205 1338 1 9 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.942 -0.069 19205 1339 1 9 . 1 1 2 2 CYS CA C 2 53.145 53.145 56.691 -3.546 19205 1340 1 9 . 1 1 2 2 CYS CB C 2 41.921 41.921 29.841 12.079 19205 1341 1 9 . 1 1 2 2 CYS H H 2 8.866 8.866 8.357 0.509 19205 1342 1 9 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.229 0.069 19205 1343 1 9 . 1 1 3 3 PRO C C 3 176.294 176.294 175.845 0.449 19205 1344 1 9 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.372 0.402 19205 1345 1 9 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.706 1.185 19205 1346 1 9 . 1 1 4 4 GLN N N 4 118.141 118.141 118.055 0.086 19205 1347 1 9 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.673 -0.779 19205 1348 1 9 . 1 1 4 4 GLN C C 4 176.143 176.143 175.286 0.857 19205 1349 1 9 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.368 0.805 19205 1350 1 9 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.905 -1.337 19205 1351 1 9 . 1 1 4 4 GLN H H 4 7.648 7.648 8.305 -0.657 19205 1352 1 9 . 1 1 5 5 GLY N N 5 108.656 108.656 107.181 1.475 19205 1353 1 9 . 1 1 5 5 GLY C C 5 173.733 173.733 173.856 -0.123 19205 1354 1 9 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.440 -0.183 19205 1355 1 9 . 1 1 5 5 GLY H H 5 7.759 7.759 7.806 -0.047 19205 1356 1 9 . 1 1 6 6 ARG N N 6 119.446 119.446 120.304 -0.858 19205 1357 1 9 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.608 -0.219 19205 1358 1 9 . 1 1 6 6 ARG C C 6 176.780 176.780 178.123 -1.343 19205 1359 1 9 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.792 0.746 19205 1360 1 9 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.617 -0.074 19205 1361 1 9 . 1 1 6 6 ARG H H 6 7.865 7.865 7.695 0.170 19205 1362 1 9 . 1 1 7 7 GLY N N 7 109.318 109.318 110.110 -0.792 19205 1363 1 9 . 1 1 7 7 GLY C C 7 174.275 174.275 174.957 -0.682 19205 1364 1 9 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.282 -1.262 19205 1365 1 9 . 1 1 7 7 GLY H H 7 8.529 8.529 8.749 -0.220 19205 1366 1 9 . 1 1 8 8 ASP N N 8 121.036 121.036 120.183 0.853 19205 1367 1 9 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.683 -0.128 19205 1368 1 9 . 1 1 8 8 ASP C C 8 175.562 175.562 175.917 -0.355 19205 1369 1 9 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.751 -0.003 19205 1370 1 9 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.534 -0.475 19205 1371 1 9 . 1 1 8 8 ASP H H 8 8.414 8.414 8.657 -0.243 19205 1372 1 9 . 1 1 9 9 TRP N N 9 121.704 121.704 122.985 -1.281 19205 1373 1 9 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.719 -0.226 19205 1374 1 9 . 1 1 9 9 TRP C C 9 175.498 175.498 175.087 0.411 19205 1375 1 9 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.998 1.096 19205 1376 1 9 . 1 1 9 9 TRP CB C 9 29.809 29.809 28.298 1.511 19205 1377 1 9 . 1 1 9 9 TRP H H 9 7.814 7.814 7.716 0.098 19205 1378 1 9 . 1 1 10 10 ALA N N 10 128.588 128.588 127.987 0.601 19205 1379 1 9 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.389 0.024 19205 1380 1 9 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.677 -0.407 19205 1381 1 9 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.540 -0.425 19205 1382 1 9 . 1 1 10 10 ALA H H 10 8.163 8.163 7.661 0.502 19205 1383 1 9 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.983 -0.652 19205 1384 1 9 . 1 1 11 11 PRO C C 11 176.753 176.753 176.861 -0.108 19205 1385 1 9 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.034 0.962 19205 1386 1 9 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.581 -0.136 19205 1387 1 9 . 1 1 12 12 THR N N 12 119.798 119.798 117.539 2.259 19205 1388 1 9 . 1 1 12 12 THR HA H 12 4.512 4.512 4.713 -0.201 19205 1389 1 9 . 1 1 12 12 THR C C 12 173.572 173.572 174.763 -1.191 19205 1390 1 9 . 1 1 12 12 THR CA C 12 62.099 62.099 62.078 0.021 19205 1391 1 9 . 1 1 12 12 THR CB C 12 71.060 71.060 69.788 1.272 19205 1392 1 9 . 1 1 12 12 THR H H 12 9.006 9.006 8.551 0.455 19205 1393 1 9 . 1 1 13 13 SER N N 13 123.494 123.494 122.206 1.288 19205 1394 1 9 . 1 1 13 13 SER HA H 13 4.539 4.539 4.208 0.331 19205 1395 1 9 . 1 1 13 13 SER C C 13 172.953 172.953 174.387 -1.434 19205 1396 1 9 . 1 1 13 13 SER CA C 13 58.421 58.421 58.445 -0.024 19205 1397 1 9 . 1 1 13 13 SER CB C 13 63.844 63.844 63.018 0.826 19205 1398 1 9 . 1 1 13 13 SER H H 13 8.805 8.805 8.797 0.008 19205 1399 1 9 . 1 1 14 14 CYS N N 14 116.548 116.548 120.014 -3.466 19205 1400 1 9 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.883 0.057 19205 1401 1 9 . 1 1 14 14 CYS C C 14 172.746 172.746 173.397 -0.651 19205 1402 1 9 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.769 -2.963 19205 1403 1 9 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.598 16.007 19205 1404 1 9 . 1 1 14 14 CYS H H 14 8.265 8.265 8.424 -0.159 19205 1405 1 9 . 1 1 15 15 SER N N 15 113.958 113.958 113.911 0.047 19205 1406 1 9 . 1 1 15 15 SER HA H 15 4.531 4.531 4.672 -0.141 19205 1407 1 9 . 1 1 15 15 SER C C 15 173.205 173.205 173.683 -0.478 19205 1408 1 9 . 1 1 15 15 SER CA C 15 58.826 58.826 58.524 0.302 19205 1409 1 9 . 1 1 15 15 SER CB C 15 65.097 65.097 65.192 -0.095 19205 1410 1 9 . 1 1 15 15 SER H H 15 9.497 9.497 9.135 0.362 19205 1411 1 9 . 1 1 16 16 GLN N N 16 118.516 118.516 118.843 -0.327 19205 1412 1 9 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.572 0.172 19205 1413 1 9 . 1 1 16 16 GLN C C 16 176.335 176.335 174.665 1.670 19205 1414 1 9 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.556 -0.615 19205 1415 1 9 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.511 -0.188 19205 1416 1 9 . 1 1 16 16 GLN H H 16 8.049 8.049 7.793 0.256 19205 1417 1 9 . 1 1 17 17 ASP N N 17 124.190 124.190 122.359 1.831 19205 1418 1 9 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.369 -0.260 19205 1419 1 9 . 1 1 17 17 ASP C C 17 178.349 178.349 177.821 0.528 19205 1420 1 9 . 1 1 17 17 ASP CA C 17 58.947 58.947 56.985 1.962 19205 1421 1 9 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.421 -0.898 19205 1422 1 9 . 1 1 17 17 ASP H H 17 9.208 9.208 8.782 0.426 19205 1423 1 9 . 1 1 18 18 SER N N 18 112.259 112.259 112.060 0.199 19205 1424 1 9 . 1 1 18 18 SER HA H 18 4.228 4.228 4.242 -0.014 19205 1425 1 9 . 1 1 18 18 SER C C 18 175.037 175.037 174.919 0.118 19205 1426 1 9 . 1 1 18 18 SER CA C 18 60.093 60.093 59.849 0.244 19205 1427 1 9 . 1 1 18 18 SER CB C 18 62.134 62.134 62.803 -0.669 19205 1428 1 9 . 1 1 18 18 SER H H 18 8.371 8.371 8.136 0.235 19205 1429 1 9 . 1 1 19 19 ASP N N 19 120.750 120.750 121.009 -0.259 19205 1430 1 9 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.702 -0.111 19205 1431 1 9 . 1 1 19 19 ASP C C 19 175.958 175.958 176.421 -0.463 19205 1432 1 9 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.862 1.023 19205 1433 1 9 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.208 0.814 19205 1434 1 9 . 1 1 19 19 ASP H H 19 7.697 7.697 7.838 -0.141 19205 1435 1 9 . 1 1 20 20 CYS N N 20 118.125 118.125 116.561 1.564 19205 1436 1 9 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.638 0.339 19205 1437 1 9 . 1 1 20 20 CYS C C 20 174.152 174.152 175.065 -0.913 19205 1438 1 9 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.459 -6.479 19205 1439 1 9 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.500 10.475 19205 1440 1 9 . 1 1 20 20 CYS H H 20 7.947 7.947 7.677 0.270 19205 1441 1 9 . 1 1 21 21 LEU N N 21 121.658 121.658 121.152 0.506 19205 1442 1 9 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.393 -0.226 19205 1443 1 9 . 1 1 21 21 LEU C C 21 176.589 176.589 177.518 -0.929 19205 1444 1 9 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.323 0.563 19205 1445 1 9 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.808 0.115 19205 1446 1 9 . 1 1 21 21 LEU H H 21 8.522 8.522 8.470 0.052 19205 1447 1 9 . 1 1 22 22 ALA N N 22 121.907 121.907 123.079 -1.172 19205 1448 1 9 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.160 -0.088 19205 1449 1 9 . 1 1 22 22 ALA C C 22 178.382 178.382 178.553 -0.171 19205 1450 1 9 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.597 0.368 19205 1451 1 9 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.210 -0.266 19205 1452 1 9 . 1 1 22 22 ALA H H 22 8.104 8.104 8.469 -0.365 19205 1453 1 9 . 1 1 23 23 GLY N N 23 110.790 110.790 112.478 -1.688 19205 1454 1 9 . 1 1 23 23 GLY C C 23 174.553 174.553 174.787 -0.234 19205 1455 1 9 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.758 -0.137 19205 1456 1 9 . 1 1 23 23 GLY H H 23 8.644 8.644 8.761 -0.117 19205 1457 1 9 . 1 1 24 24 CYS N N 24 119.431 119.431 119.255 0.176 19205 1458 1 9 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.970 -0.120 19205 1459 1 9 . 1 1 24 24 CYS C C 24 172.768 172.768 174.354 -1.586 19205 1460 1 9 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.300 -3.398 19205 1461 1 9 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.139 17.029 19205 1462 1 9 . 1 1 24 24 CYS H H 24 8.491 8.491 7.756 0.735 19205 1463 1 9 . 1 1 25 25 VAL N N 25 115.469 115.469 116.430 -0.961 19205 1464 1 9 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.634 -0.267 19205 1465 1 9 . 1 1 25 25 VAL C C 25 175.161 175.161 173.828 1.333 19205 1466 1 9 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.767 0.559 19205 1467 1 9 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.296 0.739 19205 1468 1 9 . 1 1 25 25 VAL H H 25 9.324 9.324 8.893 0.431 19205 1469 1 9 . 1 1 26 26 CYS N N 26 123.350 123.350 120.923 2.427 19205 1470 1 9 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.774 0.036 19205 1471 1 9 . 1 1 26 26 CYS C C 26 174.891 174.891 175.878 -0.987 19205 1472 1 9 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.627 -3.428 19205 1473 1 9 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.808 12.452 19205 1474 1 9 . 1 1 26 26 CYS H H 26 9.346 9.346 8.895 0.451 19205 1475 1 9 . 1 1 27 27 GLY N N 27 117.742 117.742 116.718 1.024 19205 1476 1 9 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.034 1.424 19205 1477 1 9 . 1 1 27 27 GLY H H 27 8.259 8.259 8.966 -0.707 19205 1478 1 9 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.414 -0.044 19205 1479 1 9 . 1 1 28 28 PRO C C 28 176.720 176.720 176.851 -0.131 19205 1480 1 9 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.432 0.054 19205 1481 1 9 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.663 -0.110 19205 1482 1 9 . 1 1 29 29 ASN N N 29 114.300 114.300 116.467 -2.167 19205 1483 1 9 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.686 -0.037 19205 1484 1 9 . 1 1 29 29 ASN C C 29 175.490 175.490 176.457 -0.967 19205 1485 1 9 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.994 -0.659 19205 1486 1 9 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.663 -0.097 19205 1487 1 9 . 1 1 29 29 ASN H H 29 8.061 8.061 8.234 -0.173 19205 1488 1 9 . 1 1 30 30 GLY N N 30 107.086 107.086 107.169 -0.083 19205 1489 1 9 . 1 1 30 30 GLY C C 30 173.758 173.758 172.884 0.874 19205 1490 1 9 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.092 1.220 19205 1491 1 9 . 1 1 30 30 GLY H H 30 8.294 8.294 7.956 0.338 19205 1492 1 9 . 1 1 31 31 PHE N N 31 115.129 115.129 118.333 -3.204 19205 1493 1 9 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.251 0.099 19205 1494 1 9 . 1 1 31 31 PHE C C 31 176.773 176.773 175.123 1.650 19205 1495 1 9 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.325 0.085 19205 1496 1 9 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.760 -0.286 19205 1497 1 9 . 1 1 31 31 PHE H H 31 7.167 7.167 8.265 -1.098 19205 1498 1 9 . 1 1 32 32 CYS N N 32 123.123 123.123 120.209 2.914 19205 1499 1 9 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.193 -0.094 19205 1500 1 9 . 1 1 32 32 CYS C C 32 175.875 175.875 175.917 -0.042 19205 1501 1 9 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.303 -3.873 19205 1502 1 9 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.433 15.654 19205 1503 1 9 . 1 1 32 32 CYS H H 32 8.708 8.708 8.880 -0.172 19205 1504 1 10 . 1 1 2 2 CYS N N 2 120.511 120.511 116.532 3.979 19205 1505 1 10 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.973 -0.100 19205 1506 1 10 . 1 1 2 2 CYS CA C 2 53.145 53.145 56.213 -3.068 19205 1507 1 10 . 1 1 2 2 CYS CB C 2 41.921 41.921 29.154 12.767 19205 1508 1 10 . 1 1 2 2 CYS H H 2 8.866 8.866 8.538 0.328 19205 1509 1 10 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.253 0.045 19205 1510 1 10 . 1 1 3 3 PRO C C 3 176.294 176.294 175.517 0.777 19205 1511 1 10 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.285 0.489 19205 1512 1 10 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.185 1.706 19205 1513 1 10 . 1 1 4 4 GLN N N 4 118.141 118.141 117.273 0.868 19205 1514 1 10 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.667 -0.772 19205 1515 1 10 . 1 1 4 4 GLN C C 4 176.143 176.143 174.968 1.175 19205 1516 1 10 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.157 1.016 19205 1517 1 10 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.709 -1.141 19205 1518 1 10 . 1 1 4 4 GLN H H 4 7.648 7.648 8.194 -0.546 19205 1519 1 10 . 1 1 5 5 GLY N N 5 108.656 108.656 106.754 1.902 19205 1520 1 10 . 1 1 5 5 GLY C C 5 173.733 173.733 173.793 -0.060 19205 1521 1 10 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.763 -0.506 19205 1522 1 10 . 1 1 5 5 GLY H H 5 7.759 7.759 7.672 0.087 19205 1523 1 10 . 1 1 6 6 ARG N N 6 119.446 119.446 120.453 -1.007 19205 1524 1 10 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.888 -0.499 19205 1525 1 10 . 1 1 6 6 ARG C C 6 176.780 176.780 178.110 -1.330 19205 1526 1 10 . 1 1 6 6 ARG CA C 6 55.538 55.538 53.991 1.547 19205 1527 1 10 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.137 0.406 19205 1528 1 10 . 1 1 6 6 ARG H H 6 7.865 7.865 8.180 -0.315 19205 1529 1 10 . 1 1 7 7 GLY N N 7 109.318 109.318 109.989 -0.671 19205 1530 1 10 . 1 1 7 7 GLY C C 7 174.275 174.275 174.921 -0.646 19205 1531 1 10 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.738 -0.718 19205 1532 1 10 . 1 1 7 7 GLY H H 7 8.529 8.529 8.644 -0.115 19205 1533 1 10 . 1 1 8 8 ASP N N 8 121.036 121.036 120.384 0.652 19205 1534 1 10 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.646 -0.092 19205 1535 1 10 . 1 1 8 8 ASP C C 8 175.562 175.562 175.217 0.345 19205 1536 1 10 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.620 0.128 19205 1537 1 10 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.138 -0.079 19205 1538 1 10 . 1 1 8 8 ASP H H 8 8.414 8.414 8.657 -0.243 19205 1539 1 10 . 1 1 9 9 TRP N N 9 121.704 121.704 122.545 -0.841 19205 1540 1 10 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.835 -0.342 19205 1541 1 10 . 1 1 9 9 TRP C C 9 175.498 175.498 174.745 0.753 19205 1542 1 10 . 1 1 9 9 TRP CA C 9 57.094 57.094 56.048 1.046 19205 1543 1 10 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.768 0.041 19205 1544 1 10 . 1 1 9 9 TRP H H 9 7.814 7.814 7.471 0.343 19205 1545 1 10 . 1 1 10 10 ALA N N 10 128.588 128.588 127.434 1.154 19205 1546 1 10 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.424 -0.011 19205 1547 1 10 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.763 -0.493 19205 1548 1 10 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.679 -0.564 19205 1549 1 10 . 1 1 10 10 ALA H H 10 8.163 8.163 8.362 -0.199 19205 1550 1 10 . 1 1 11 11 PRO HA H 11 4.331 4.331 5.065 -0.734 19205 1551 1 10 . 1 1 11 11 PRO C C 11 176.753 176.753 176.748 0.005 19205 1552 1 10 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.279 0.717 19205 1553 1 10 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.727 -0.282 19205 1554 1 10 . 1 1 12 12 THR N N 12 119.798 119.798 117.150 2.648 19205 1555 1 10 . 1 1 12 12 THR HA H 12 4.512 4.512 4.755 -0.243 19205 1556 1 10 . 1 1 12 12 THR C C 12 173.572 173.572 174.317 -0.745 19205 1557 1 10 . 1 1 12 12 THR CA C 12 62.099 62.099 61.515 0.584 19205 1558 1 10 . 1 1 12 12 THR CB C 12 71.060 71.060 70.641 0.419 19205 1559 1 10 . 1 1 12 12 THR H H 12 9.006 9.006 8.383 0.623 19205 1560 1 10 . 1 1 13 13 SER N N 13 123.494 123.494 122.727 0.767 19205 1561 1 10 . 1 1 13 13 SER HA H 13 4.539 4.539 4.085 0.454 19205 1562 1 10 . 1 1 13 13 SER C C 13 172.953 172.953 174.778 -1.825 19205 1563 1 10 . 1 1 13 13 SER CA C 13 58.421 58.421 57.888 0.533 19205 1564 1 10 . 1 1 13 13 SER CB C 13 63.844 63.844 62.977 0.867 19205 1565 1 10 . 1 1 13 13 SER H H 13 8.805 8.805 8.659 0.146 19205 1566 1 10 . 1 1 14 14 CYS N N 14 116.548 116.548 120.619 -4.071 19205 1567 1 10 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.705 0.235 19205 1568 1 10 . 1 1 14 14 CYS C C 14 172.746 172.746 173.501 -0.755 19205 1569 1 10 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.819 -3.013 19205 1570 1 10 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.199 16.406 19205 1571 1 10 . 1 1 14 14 CYS H H 14 8.265 8.265 8.228 0.037 19205 1572 1 10 . 1 1 15 15 SER N N 15 113.958 113.958 113.931 0.027 19205 1573 1 10 . 1 1 15 15 SER HA H 15 4.531 4.531 4.660 -0.129 19205 1574 1 10 . 1 1 15 15 SER C C 15 173.205 173.205 173.671 -0.466 19205 1575 1 10 . 1 1 15 15 SER CA C 15 58.826 58.826 58.605 0.221 19205 1576 1 10 . 1 1 15 15 SER CB C 15 65.097 65.097 65.204 -0.107 19205 1577 1 10 . 1 1 15 15 SER H H 15 9.497 9.497 9.090 0.407 19205 1578 1 10 . 1 1 16 16 GLN N N 16 118.516 118.516 118.643 -0.127 19205 1579 1 10 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.550 0.194 19205 1580 1 10 . 1 1 16 16 GLN C C 16 176.335 176.335 174.659 1.676 19205 1581 1 10 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.637 -0.696 19205 1582 1 10 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.311 0.012 19205 1583 1 10 . 1 1 16 16 GLN H H 16 8.049 8.049 7.750 0.299 19205 1584 1 10 . 1 1 17 17 ASP N N 17 124.190 124.190 121.836 2.354 19205 1585 1 10 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.439 -0.330 19205 1586 1 10 . 1 1 17 17 ASP C C 17 178.349 178.349 177.751 0.598 19205 1587 1 10 . 1 1 17 17 ASP CA C 17 58.947 58.947 56.930 2.017 19205 1588 1 10 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.474 -0.951 19205 1589 1 10 . 1 1 17 17 ASP H H 17 9.208 9.208 8.769 0.439 19205 1590 1 10 . 1 1 18 18 SER N N 18 112.259 112.259 111.480 0.779 19205 1591 1 10 . 1 1 18 18 SER HA H 18 4.228 4.228 4.266 -0.038 19205 1592 1 10 . 1 1 18 18 SER C C 18 175.037 175.037 174.801 0.236 19205 1593 1 10 . 1 1 18 18 SER CA C 18 60.093 60.093 59.655 0.438 19205 1594 1 10 . 1 1 18 18 SER CB C 18 62.134 62.134 62.846 -0.712 19205 1595 1 10 . 1 1 18 18 SER H H 18 8.371 8.371 8.113 0.258 19205 1596 1 10 . 1 1 19 19 ASP N N 19 120.750 120.750 121.348 -0.598 19205 1597 1 10 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.715 -0.124 19205 1598 1 10 . 1 1 19 19 ASP C C 19 175.958 175.958 176.362 -0.404 19205 1599 1 10 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.839 1.046 19205 1600 1 10 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.188 0.834 19205 1601 1 10 . 1 1 19 19 ASP H H 19 7.697 7.697 7.789 -0.092 19205 1602 1 10 . 1 1 20 20 CYS N N 20 118.125 118.125 116.445 1.680 19205 1603 1 10 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.683 0.294 19205 1604 1 10 . 1 1 20 20 CYS C C 20 174.152 174.152 174.703 -0.551 19205 1605 1 10 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.023 -6.042 19205 1606 1 10 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.763 10.211 19205 1607 1 10 . 1 1 20 20 CYS H H 20 7.947 7.947 7.675 0.272 19205 1608 1 10 . 1 1 21 21 LEU N N 21 121.658 121.658 121.229 0.429 19205 1609 1 10 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.363 -0.196 19205 1610 1 10 . 1 1 21 21 LEU C C 21 176.589 176.589 177.523 -0.934 19205 1611 1 10 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.336 0.550 19205 1612 1 10 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.605 0.318 19205 1613 1 10 . 1 1 21 21 LEU H H 21 8.522 8.522 8.294 0.228 19205 1614 1 10 . 1 1 22 22 ALA N N 22 121.907 121.907 123.042 -1.135 19205 1615 1 10 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.137 -0.065 19205 1616 1 10 . 1 1 22 22 ALA C C 22 178.382 178.382 178.522 -0.140 19205 1617 1 10 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.602 0.363 19205 1618 1 10 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.169 -0.226 19205 1619 1 10 . 1 1 22 22 ALA H H 22 8.104 8.104 8.464 -0.360 19205 1620 1 10 . 1 1 23 23 GLY N N 23 110.790 110.790 111.989 -1.199 19205 1621 1 10 . 1 1 23 23 GLY C C 23 174.553 174.553 174.733 -0.180 19205 1622 1 10 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.775 -0.154 19205 1623 1 10 . 1 1 23 23 GLY H H 23 8.644 8.644 8.678 -0.034 19205 1624 1 10 . 1 1 24 24 CYS N N 24 119.431 119.431 120.175 -0.744 19205 1625 1 10 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.935 -0.085 19205 1626 1 10 . 1 1 24 24 CYS C C 24 172.768 172.768 174.430 -1.662 19205 1627 1 10 . 1 1 24 24 CYS CA C 24 54.902 54.902 59.829 -4.927 19205 1628 1 10 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.117 17.051 19205 1629 1 10 . 1 1 24 24 CYS H H 24 8.491 8.491 7.768 0.723 19205 1630 1 10 . 1 1 25 25 VAL N N 25 115.469 115.469 119.420 -3.951 19205 1631 1 10 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.802 -0.435 19205 1632 1 10 . 1 1 25 25 VAL C C 25 175.161 175.161 173.792 1.369 19205 1633 1 10 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.691 0.636 19205 1634 1 10 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.585 0.450 19205 1635 1 10 . 1 1 25 25 VAL H H 25 9.324 9.324 9.003 0.321 19205 1636 1 10 . 1 1 26 26 CYS N N 26 123.350 123.350 121.703 1.647 19205 1637 1 10 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.777 0.033 19205 1638 1 10 . 1 1 26 26 CYS C C 26 174.891 174.891 176.040 -1.149 19205 1639 1 10 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.793 -3.594 19205 1640 1 10 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.547 12.713 19205 1641 1 10 . 1 1 26 26 CYS H H 26 9.346 9.346 8.843 0.503 19205 1642 1 10 . 1 1 27 27 GLY N N 27 117.742 117.742 116.714 1.028 19205 1643 1 10 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.115 1.343 19205 1644 1 10 . 1 1 27 27 GLY H H 27 8.259 8.259 8.874 -0.616 19205 1645 1 10 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.429 -0.059 19205 1646 1 10 . 1 1 28 28 PRO C C 28 176.720 176.720 176.851 -0.131 19205 1647 1 10 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.457 0.030 19205 1648 1 10 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.638 -0.085 19205 1649 1 10 . 1 1 29 29 ASN N N 29 114.300 114.300 116.465 -2.165 19205 1650 1 10 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.693 -0.044 19205 1651 1 10 . 1 1 29 29 ASN C C 29 175.490 175.490 176.532 -1.042 19205 1652 1 10 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.944 -0.609 19205 1653 1 10 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.519 0.047 19205 1654 1 10 . 1 1 29 29 ASN H H 29 8.061 8.061 8.227 -0.166 19205 1655 1 10 . 1 1 30 30 GLY N N 30 107.086 107.086 107.379 -0.293 19205 1656 1 10 . 1 1 30 30 GLY C C 30 173.758 173.758 172.982 0.776 19205 1657 1 10 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.312 1.000 19205 1658 1 10 . 1 1 30 30 GLY H H 30 8.294 8.294 8.025 0.269 19205 1659 1 10 . 1 1 31 31 PHE N N 31 115.129 115.129 118.272 -3.143 19205 1660 1 10 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.255 0.095 19205 1661 1 10 . 1 1 31 31 PHE C C 31 176.773 176.773 175.213 1.560 19205 1662 1 10 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.415 -0.005 19205 1663 1 10 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.842 -0.368 19205 1664 1 10 . 1 1 31 31 PHE H H 31 7.167 7.167 8.272 -1.105 19205 1665 1 10 . 1 1 32 32 CYS N N 32 123.123 123.123 121.121 2.002 19205 1666 1 10 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.151 -0.052 19205 1667 1 10 . 1 1 32 32 CYS C C 32 175.875 175.875 175.839 0.036 19205 1668 1 10 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.375 -3.945 19205 1669 1 10 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.543 15.544 19205 1670 1 10 . 1 1 32 32 CYS H H 32 8.708 8.708 8.958 -0.250 19205 1671 1 11 . 1 1 2 2 CYS N N 2 120.511 120.511 118.249 2.262 19205 1672 1 11 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.941 -0.068 19205 1673 1 11 . 1 1 2 2 CYS CA C 2 53.145 53.145 56.520 -3.375 19205 1674 1 11 . 1 1 2 2 CYS CB C 2 41.921 41.921 30.091 11.830 19205 1675 1 11 . 1 1 2 2 CYS H H 2 8.866 8.866 8.340 0.526 19205 1676 1 11 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.210 0.088 19205 1677 1 11 . 1 1 3 3 PRO C C 3 176.294 176.294 175.562 0.732 19205 1678 1 11 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.090 0.684 19205 1679 1 11 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.271 1.620 19205 1680 1 11 . 1 1 4 4 GLN N N 4 118.141 118.141 118.111 0.030 19205 1681 1 11 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.648 -0.754 19205 1682 1 11 . 1 1 4 4 GLN C C 4 176.143 176.143 174.924 1.219 19205 1683 1 11 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.093 1.080 19205 1684 1 11 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.328 -0.760 19205 1685 1 11 . 1 1 4 4 GLN H H 4 7.648 7.648 8.261 -0.613 19205 1686 1 11 . 1 1 5 5 GLY N N 5 108.656 108.656 106.609 2.047 19205 1687 1 11 . 1 1 5 5 GLY C C 5 173.733 173.733 173.619 0.114 19205 1688 1 11 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.541 -0.284 19205 1689 1 11 . 1 1 5 5 GLY H H 5 7.759 7.759 7.803 -0.044 19205 1690 1 11 . 1 1 6 6 ARG N N 6 119.446 119.446 120.055 -0.609 19205 1691 1 11 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.881 -0.492 19205 1692 1 11 . 1 1 6 6 ARG C C 6 176.780 176.780 177.538 -0.758 19205 1693 1 11 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.002 1.536 19205 1694 1 11 . 1 1 6 6 ARG CB C 6 31.543 31.543 32.667 -1.124 19205 1695 1 11 . 1 1 6 6 ARG H H 6 7.865 7.865 8.079 -0.214 19205 1696 1 11 . 1 1 7 7 GLY N N 7 109.318 109.318 110.931 -1.613 19205 1697 1 11 . 1 1 7 7 GLY C C 7 174.275 174.275 174.418 -0.143 19205 1698 1 11 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.214 -1.194 19205 1699 1 11 . 1 1 7 7 GLY H H 7 8.529 8.529 8.684 -0.155 19205 1700 1 11 . 1 1 8 8 ASP N N 8 121.036 121.036 119.557 1.479 19205 1701 1 11 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.679 -0.124 19205 1702 1 11 . 1 1 8 8 ASP C C 8 175.562 175.562 174.745 0.817 19205 1703 1 11 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.973 -0.225 19205 1704 1 11 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.316 -0.257 19205 1705 1 11 . 1 1 8 8 ASP H H 8 8.414 8.414 8.700 -0.286 19205 1706 1 11 . 1 1 9 9 TRP N N 9 121.704 121.704 122.612 -0.908 19205 1707 1 11 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.811 -0.318 19205 1708 1 11 . 1 1 9 9 TRP C C 9 175.498 175.498 174.779 0.719 19205 1709 1 11 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.862 1.232 19205 1710 1 11 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.600 0.209 19205 1711 1 11 . 1 1 9 9 TRP H H 9 7.814 7.814 8.139 -0.325 19205 1712 1 11 . 1 1 10 10 ALA N N 10 128.588 128.588 127.219 1.369 19205 1713 1 11 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.396 0.017 19205 1714 1 11 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.772 -0.502 19205 1715 1 11 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.515 -0.400 19205 1716 1 11 . 1 1 10 10 ALA H H 10 8.163 8.163 8.298 -0.135 19205 1717 1 11 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.856 -0.525 19205 1718 1 11 . 1 1 11 11 PRO C C 11 176.753 176.753 176.762 -0.009 19205 1719 1 11 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.106 0.890 19205 1720 1 11 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.546 -0.101 19205 1721 1 11 . 1 1 12 12 THR N N 12 119.798 119.798 117.602 2.196 19205 1722 1 11 . 1 1 12 12 THR HA H 12 4.512 4.512 4.734 -0.222 19205 1723 1 11 . 1 1 12 12 THR C C 12 173.572 173.572 174.655 -1.083 19205 1724 1 11 . 1 1 12 12 THR CA C 12 62.099 62.099 61.966 0.133 19205 1725 1 11 . 1 1 12 12 THR CB C 12 71.060 71.060 70.301 0.759 19205 1726 1 11 . 1 1 12 12 THR H H 12 9.006 9.006 8.391 0.615 19205 1727 1 11 . 1 1 13 13 SER N N 13 123.494 123.494 122.241 1.253 19205 1728 1 11 . 1 1 13 13 SER HA H 13 4.539 4.539 4.473 0.066 19205 1729 1 11 . 1 1 13 13 SER C C 13 172.953 172.953 174.576 -1.623 19205 1730 1 11 . 1 1 13 13 SER CA C 13 58.421 58.421 58.301 0.120 19205 1731 1 11 . 1 1 13 13 SER CB C 13 63.844 63.844 63.045 0.799 19205 1732 1 11 . 1 1 13 13 SER H H 13 8.805 8.805 8.753 0.052 19205 1733 1 11 . 1 1 14 14 CYS N N 14 116.548 116.548 120.052 -3.504 19205 1734 1 11 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.797 0.143 19205 1735 1 11 . 1 1 14 14 CYS C C 14 172.746 172.746 173.737 -0.991 19205 1736 1 11 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.793 -2.987 19205 1737 1 11 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.782 15.823 19205 1738 1 11 . 1 1 14 14 CYS H H 14 8.265 8.265 8.317 -0.052 19205 1739 1 11 . 1 1 15 15 SER N N 15 113.958 113.958 114.151 -0.193 19205 1740 1 11 . 1 1 15 15 SER HA H 15 4.531 4.531 4.669 -0.138 19205 1741 1 11 . 1 1 15 15 SER C C 15 173.205 173.205 173.805 -0.600 19205 1742 1 11 . 1 1 15 15 SER CA C 15 58.826 58.826 58.646 0.180 19205 1743 1 11 . 1 1 15 15 SER CB C 15 65.097 65.097 65.172 -0.075 19205 1744 1 11 . 1 1 15 15 SER H H 15 9.497 9.497 9.286 0.211 19205 1745 1 11 . 1 1 16 16 GLN N N 16 118.516 118.516 118.758 -0.242 19205 1746 1 11 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.706 0.038 19205 1747 1 11 . 1 1 16 16 GLN C C 16 176.335 176.335 174.559 1.776 19205 1748 1 11 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.632 -0.691 19205 1749 1 11 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.049 0.274 19205 1750 1 11 . 1 1 16 16 GLN H H 16 8.049 8.049 8.070 -0.021 19205 1751 1 11 . 1 1 17 17 ASP N N 17 124.190 124.190 121.985 2.205 19205 1752 1 11 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.538 -0.429 19205 1753 1 11 . 1 1 17 17 ASP C C 17 178.349 178.349 178.012 0.337 19205 1754 1 11 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.183 1.764 19205 1755 1 11 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.461 -0.938 19205 1756 1 11 . 1 1 17 17 ASP H H 17 9.208 9.208 8.830 0.378 19205 1757 1 11 . 1 1 18 18 SER N N 18 112.259 112.259 112.560 -0.301 19205 1758 1 11 . 1 1 18 18 SER HA H 18 4.228 4.228 4.249 -0.021 19205 1759 1 11 . 1 1 18 18 SER C C 18 175.037 175.037 175.305 -0.268 19205 1760 1 11 . 1 1 18 18 SER CA C 18 60.093 60.093 59.628 0.465 19205 1761 1 11 . 1 1 18 18 SER CB C 18 62.134 62.134 62.969 -0.836 19205 1762 1 11 . 1 1 18 18 SER H H 18 8.371 8.371 8.286 0.085 19205 1763 1 11 . 1 1 19 19 ASP N N 19 120.750 120.750 120.369 0.381 19205 1764 1 11 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.641 -0.050 19205 1765 1 11 . 1 1 19 19 ASP C C 19 175.958 175.958 176.375 -0.417 19205 1766 1 11 . 1 1 19 19 ASP CA C 19 55.885 55.885 55.092 0.793 19205 1767 1 11 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.096 0.926 19205 1768 1 11 . 1 1 19 19 ASP H H 19 7.697 7.697 7.697 0.000 19205 1769 1 11 . 1 1 20 20 CYS N N 20 118.125 118.125 116.446 1.679 19205 1770 1 11 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.662 0.315 19205 1771 1 11 . 1 1 20 20 CYS C C 20 174.152 174.152 174.999 -0.847 19205 1772 1 11 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.235 -6.254 19205 1773 1 11 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.600 10.374 19205 1774 1 11 . 1 1 20 20 CYS H H 20 7.947 7.947 7.615 0.332 19205 1775 1 11 . 1 1 21 21 LEU N N 21 121.658 121.658 121.312 0.346 19205 1776 1 11 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.338 -0.171 19205 1777 1 11 . 1 1 21 21 LEU C C 21 176.589 176.589 177.583 -0.994 19205 1778 1 11 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.550 0.336 19205 1779 1 11 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.573 0.350 19205 1780 1 11 . 1 1 21 21 LEU H H 21 8.522 8.522 8.412 0.110 19205 1781 1 11 . 1 1 22 22 ALA N N 22 121.907 121.907 123.040 -1.133 19205 1782 1 11 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.150 -0.078 19205 1783 1 11 . 1 1 22 22 ALA C C 22 178.382 178.382 178.560 -0.178 19205 1784 1 11 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.620 0.346 19205 1785 1 11 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.246 -0.302 19205 1786 1 11 . 1 1 22 22 ALA H H 22 8.104 8.104 8.439 -0.335 19205 1787 1 11 . 1 1 23 23 GLY N N 23 110.790 110.790 112.374 -1.584 19205 1788 1 11 . 1 1 23 23 GLY C C 23 174.553 174.553 174.822 -0.269 19205 1789 1 11 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.746 -0.125 19205 1790 1 11 . 1 1 23 23 GLY H H 23 8.644 8.644 8.732 -0.088 19205 1791 1 11 . 1 1 24 24 CYS N N 24 119.431 119.431 119.022 0.409 19205 1792 1 11 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.835 0.015 19205 1793 1 11 . 1 1 24 24 CYS C C 24 172.768 172.768 174.375 -1.607 19205 1794 1 11 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.719 -3.817 19205 1795 1 11 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.215 16.953 19205 1796 1 11 . 1 1 24 24 CYS H H 24 8.491 8.491 7.708 0.783 19205 1797 1 11 . 1 1 25 25 VAL N N 25 115.469 115.469 115.384 0.085 19205 1798 1 11 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.663 -0.296 19205 1799 1 11 . 1 1 25 25 VAL C C 25 175.161 175.161 173.948 1.213 19205 1800 1 11 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.304 0.023 19205 1801 1 11 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.843 0.192 19205 1802 1 11 . 1 1 25 25 VAL H H 25 9.324 9.324 8.840 0.484 19205 1803 1 11 . 1 1 26 26 CYS N N 26 123.350 123.350 121.406 1.944 19205 1804 1 11 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.704 0.106 19205 1805 1 11 . 1 1 26 26 CYS C C 26 174.891 174.891 176.194 -1.303 19205 1806 1 11 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.898 -3.699 19205 1807 1 11 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.744 12.515 19205 1808 1 11 . 1 1 26 26 CYS H H 26 9.346 9.346 8.888 0.458 19205 1809 1 11 . 1 1 27 27 GLY N N 27 117.742 117.742 116.576 1.166 19205 1810 1 11 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.108 1.350 19205 1811 1 11 . 1 1 27 27 GLY H H 27 8.259 8.259 8.905 -0.646 19205 1812 1 11 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.426 -0.056 19205 1813 1 11 . 1 1 28 28 PRO C C 28 176.720 176.720 176.796 -0.076 19205 1814 1 11 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.438 0.049 19205 1815 1 11 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.675 -0.122 19205 1816 1 11 . 1 1 29 29 ASN N N 29 114.300 114.300 116.331 -2.031 19205 1817 1 11 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.688 -0.039 19205 1818 1 11 . 1 1 29 29 ASN C C 29 175.490 175.490 176.386 -0.896 19205 1819 1 11 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.895 -0.560 19205 1820 1 11 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.724 -0.158 19205 1821 1 11 . 1 1 29 29 ASN H H 29 8.061 8.061 8.232 -0.171 19205 1822 1 11 . 1 1 30 30 GLY N N 30 107.086 107.086 107.152 -0.066 19205 1823 1 11 . 1 1 30 30 GLY C C 30 173.758 173.758 172.873 0.885 19205 1824 1 11 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.050 1.262 19205 1825 1 11 . 1 1 30 30 GLY H H 30 8.294 8.294 7.911 0.383 19205 1826 1 11 . 1 1 31 31 PHE N N 31 115.129 115.129 118.761 -3.632 19205 1827 1 11 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.365 -0.015 19205 1828 1 11 . 1 1 31 31 PHE C C 31 176.773 176.773 175.526 1.247 19205 1829 1 11 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.113 0.297 19205 1830 1 11 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.438 0.036 19205 1831 1 11 . 1 1 31 31 PHE H H 31 7.167 7.167 8.313 -1.146 19205 1832 1 11 . 1 1 32 32 CYS N N 32 123.123 123.123 121.171 1.952 19205 1833 1 11 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.011 0.088 19205 1834 1 11 . 1 1 32 32 CYS C C 32 175.875 175.875 175.861 0.014 19205 1835 1 11 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.518 -4.088 19205 1836 1 11 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.434 15.653 19205 1837 1 11 . 1 1 32 32 CYS H H 32 8.708 8.708 8.977 -0.269 19205 1838 1 12 . 1 1 2 2 CYS N N 2 120.511 120.511 117.472 3.039 19205 1839 1 12 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.984 -0.111 19205 1840 1 12 . 1 1 2 2 CYS CA C 2 53.145 53.145 57.029 -3.884 19205 1841 1 12 . 1 1 2 2 CYS CB C 2 41.921 41.921 28.784 13.137 19205 1842 1 12 . 1 1 2 2 CYS H H 2 8.866 8.866 8.194 0.672 19205 1843 1 12 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.235 0.063 19205 1844 1 12 . 1 1 3 3 PRO C C 3 176.294 176.294 175.787 0.507 19205 1845 1 12 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.243 0.531 19205 1846 1 12 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.551 1.340 19205 1847 1 12 . 1 1 4 4 GLN N N 4 118.141 118.141 118.596 -0.455 19205 1848 1 12 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.675 -0.781 19205 1849 1 12 . 1 1 4 4 GLN C C 4 176.143 176.143 175.328 0.815 19205 1850 1 12 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.329 0.844 19205 1851 1 12 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.401 -0.834 19205 1852 1 12 . 1 1 4 4 GLN H H 4 7.648 7.648 8.187 -0.539 19205 1853 1 12 . 1 1 5 5 GLY N N 5 108.656 108.656 106.940 1.716 19205 1854 1 12 . 1 1 5 5 GLY C C 5 173.733 173.733 174.130 -0.397 19205 1855 1 12 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.158 0.098 19205 1856 1 12 . 1 1 5 5 GLY H H 5 7.759 7.759 8.008 -0.249 19205 1857 1 12 . 1 1 6 6 ARG N N 6 119.446 119.446 120.286 -0.840 19205 1858 1 12 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.570 -0.181 19205 1859 1 12 . 1 1 6 6 ARG C C 6 176.780 176.780 178.216 -1.436 19205 1860 1 12 . 1 1 6 6 ARG CA C 6 55.538 55.538 55.134 0.404 19205 1861 1 12 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.346 0.197 19205 1862 1 12 . 1 1 6 6 ARG H H 6 7.865 7.865 7.602 0.263 19205 1863 1 12 . 1 1 7 7 GLY N N 7 109.318 109.318 109.630 -0.312 19205 1864 1 12 . 1 1 7 7 GLY C C 7 174.275 174.275 174.920 -0.645 19205 1865 1 12 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.001 -0.981 19205 1866 1 12 . 1 1 7 7 GLY H H 7 8.529 8.529 8.673 -0.144 19205 1867 1 12 . 1 1 8 8 ASP N N 8 121.036 121.036 120.543 0.493 19205 1868 1 12 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.743 -0.188 19205 1869 1 12 . 1 1 8 8 ASP C C 8 175.562 175.562 174.859 0.703 19205 1870 1 12 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.241 0.507 19205 1871 1 12 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.753 -0.694 19205 1872 1 12 . 1 1 8 8 ASP H H 8 8.414 8.414 8.636 -0.222 19205 1873 1 12 . 1 1 9 9 TRP N N 9 121.704 121.704 122.616 -0.912 19205 1874 1 12 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.788 -0.295 19205 1875 1 12 . 1 1 9 9 TRP C C 9 175.498 175.498 174.786 0.712 19205 1876 1 12 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.829 1.265 19205 1877 1 12 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.520 0.289 19205 1878 1 12 . 1 1 9 9 TRP H H 9 7.814 7.814 7.586 0.228 19205 1879 1 12 . 1 1 10 10 ALA N N 10 128.588 128.588 127.433 1.155 19205 1880 1 12 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.381 0.032 19205 1881 1 12 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.748 -0.478 19205 1882 1 12 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.491 -0.376 19205 1883 1 12 . 1 1 10 10 ALA H H 10 8.163 8.163 8.115 0.048 19205 1884 1 12 . 1 1 11 11 PRO HA H 11 4.331 4.331 5.023 -0.692 19205 1885 1 12 . 1 1 11 11 PRO C C 11 176.753 176.753 176.684 0.069 19205 1886 1 12 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.050 0.946 19205 1887 1 12 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.298 0.147 19205 1888 1 12 . 1 1 12 12 THR N N 12 119.798 119.798 117.516 2.282 19205 1889 1 12 . 1 1 12 12 THR HA H 12 4.512 4.512 4.747 -0.235 19205 1890 1 12 . 1 1 12 12 THR C C 12 173.572 173.572 174.517 -0.945 19205 1891 1 12 . 1 1 12 12 THR CA C 12 62.099 62.099 61.661 0.438 19205 1892 1 12 . 1 1 12 12 THR CB C 12 71.060 71.060 70.072 0.988 19205 1893 1 12 . 1 1 12 12 THR H H 12 9.006 9.006 8.403 0.603 19205 1894 1 12 . 1 1 13 13 SER N N 13 123.494 123.494 122.253 1.241 19205 1895 1 12 . 1 1 13 13 SER HA H 13 4.539 4.539 4.631 -0.092 19205 1896 1 12 . 1 1 13 13 SER C C 13 172.953 172.953 174.389 -1.436 19205 1897 1 12 . 1 1 13 13 SER CA C 13 58.421 58.421 58.453 -0.032 19205 1898 1 12 . 1 1 13 13 SER CB C 13 63.844 63.844 63.273 0.571 19205 1899 1 12 . 1 1 13 13 SER H H 13 8.805 8.805 8.775 0.030 19205 1900 1 12 . 1 1 14 14 CYS N N 14 116.548 116.548 119.534 -2.986 19205 1901 1 12 . 1 1 14 14 CYS HA H 14 4.940 4.940 5.004 -0.064 19205 1902 1 12 . 1 1 14 14 CYS C C 14 172.746 172.746 173.447 -0.701 19205 1903 1 12 . 1 1 14 14 CYS CA C 14 53.806 53.806 57.202 -3.396 19205 1904 1 12 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.370 16.235 19205 1905 1 12 . 1 1 14 14 CYS H H 14 8.265 8.265 8.714 -0.449 19205 1906 1 12 . 1 1 15 15 SER N N 15 113.958 113.958 114.064 -0.106 19205 1907 1 12 . 1 1 15 15 SER HA H 15 4.531 4.531 4.609 -0.078 19205 1908 1 12 . 1 1 15 15 SER C C 15 173.205 173.205 173.811 -0.606 19205 1909 1 12 . 1 1 15 15 SER CA C 15 58.826 58.826 58.455 0.371 19205 1910 1 12 . 1 1 15 15 SER CB C 15 65.097 65.097 64.734 0.363 19205 1911 1 12 . 1 1 15 15 SER H H 15 9.497 9.497 9.175 0.322 19205 1912 1 12 . 1 1 16 16 GLN N N 16 118.516 118.516 119.211 -0.695 19205 1913 1 12 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.722 0.022 19205 1914 1 12 . 1 1 16 16 GLN C C 16 176.335 176.335 174.537 1.798 19205 1915 1 12 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.667 -0.726 19205 1916 1 12 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.117 0.206 19205 1917 1 12 . 1 1 16 16 GLN H H 16 8.049 8.049 7.779 0.270 19205 1918 1 12 . 1 1 17 17 ASP N N 17 124.190 124.190 121.788 2.402 19205 1919 1 12 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.447 -0.338 19205 1920 1 12 . 1 1 17 17 ASP C C 17 178.349 178.349 177.906 0.443 19205 1921 1 12 . 1 1 17 17 ASP CA C 17 58.947 58.947 56.820 2.127 19205 1922 1 12 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.478 -0.955 19205 1923 1 12 . 1 1 17 17 ASP H H 17 9.208 9.208 8.859 0.349 19205 1924 1 12 . 1 1 18 18 SER N N 18 112.259 112.259 111.432 0.827 19205 1925 1 12 . 1 1 18 18 SER HA H 18 4.228 4.228 4.281 -0.053 19205 1926 1 12 . 1 1 18 18 SER C C 18 175.037 175.037 174.914 0.123 19205 1927 1 12 . 1 1 18 18 SER CA C 18 60.093 60.093 59.656 0.437 19205 1928 1 12 . 1 1 18 18 SER CB C 18 62.134 62.134 62.949 -0.815 19205 1929 1 12 . 1 1 18 18 SER H H 18 8.371 8.371 8.047 0.324 19205 1930 1 12 . 1 1 19 19 ASP N N 19 120.750 120.750 121.691 -0.941 19205 1931 1 12 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.700 -0.109 19205 1932 1 12 . 1 1 19 19 ASP C C 19 175.958 175.958 176.437 -0.479 19205 1933 1 12 . 1 1 19 19 ASP CA C 19 55.885 55.885 55.041 0.844 19205 1934 1 12 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.225 0.797 19205 1935 1 12 . 1 1 19 19 ASP H H 19 7.697 7.697 7.815 -0.118 19205 1936 1 12 . 1 1 20 20 CYS N N 20 118.125 118.125 116.500 1.625 19205 1937 1 12 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.693 0.284 19205 1938 1 12 . 1 1 20 20 CYS C C 20 174.152 174.152 174.829 -0.677 19205 1939 1 12 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.249 -6.268 19205 1940 1 12 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.816 10.158 19205 1941 1 12 . 1 1 20 20 CYS H H 20 7.947 7.947 7.547 0.400 19205 1942 1 12 . 1 1 21 21 LEU N N 21 121.658 121.658 120.968 0.690 19205 1943 1 12 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.384 -0.217 19205 1944 1 12 . 1 1 21 21 LEU C C 21 176.589 176.589 177.514 -0.925 19205 1945 1 12 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.454 0.432 19205 1946 1 12 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.733 0.191 19205 1947 1 12 . 1 1 21 21 LEU H H 21 8.522 8.522 8.493 0.029 19205 1948 1 12 . 1 1 22 22 ALA N N 22 121.907 121.907 123.248 -1.341 19205 1949 1 12 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.156 -0.084 19205 1950 1 12 . 1 1 22 22 ALA C C 22 178.382 178.382 178.453 -0.071 19205 1951 1 12 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.435 0.530 19205 1952 1 12 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.084 -0.140 19205 1953 1 12 . 1 1 22 22 ALA H H 22 8.104 8.104 8.473 -0.369 19205 1954 1 12 . 1 1 23 23 GLY N N 23 110.790 110.790 112.438 -1.648 19205 1955 1 12 . 1 1 23 23 GLY C C 23 174.553 174.553 174.578 -0.025 19205 1956 1 12 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.662 -0.041 19205 1957 1 12 . 1 1 23 23 GLY H H 23 8.644 8.644 8.789 -0.145 19205 1958 1 12 . 1 1 24 24 CYS N N 24 119.431 119.431 119.307 0.124 19205 1959 1 12 . 1 1 24 24 CYS HA H 24 4.850 4.850 5.025 -0.175 19205 1960 1 12 . 1 1 24 24 CYS C C 24 172.768 172.768 174.005 -1.237 19205 1961 1 12 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.098 -3.196 19205 1962 1 12 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.741 16.427 19205 1963 1 12 . 1 1 24 24 CYS H H 24 8.491 8.491 7.817 0.674 19205 1964 1 12 . 1 1 25 25 VAL N N 25 115.469 115.469 115.808 -0.339 19205 1965 1 12 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.587 -0.220 19205 1966 1 12 . 1 1 25 25 VAL C C 25 175.161 175.161 174.003 1.158 19205 1967 1 12 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.610 0.717 19205 1968 1 12 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.526 0.509 19205 1969 1 12 . 1 1 25 25 VAL H H 25 9.324 9.324 9.009 0.315 19205 1970 1 12 . 1 1 26 26 CYS N N 26 123.350 123.350 121.030 2.320 19205 1971 1 12 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.866 -0.056 19205 1972 1 12 . 1 1 26 26 CYS C C 26 174.891 174.891 175.867 -0.976 19205 1973 1 12 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.745 -3.546 19205 1974 1 12 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.742 12.518 19205 1975 1 12 . 1 1 26 26 CYS H H 26 9.346 9.346 8.933 0.413 19205 1976 1 12 . 1 1 27 27 GLY N N 27 117.742 117.742 116.709 1.033 19205 1977 1 12 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.110 1.348 19205 1978 1 12 . 1 1 27 27 GLY H H 27 8.259 8.259 8.924 -0.665 19205 1979 1 12 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.431 -0.061 19205 1980 1 12 . 1 1 28 28 PRO C C 28 176.720 176.720 176.801 -0.081 19205 1981 1 12 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.417 0.069 19205 1982 1 12 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.655 -0.102 19205 1983 1 12 . 1 1 29 29 ASN N N 29 114.300 114.300 116.364 -2.064 19205 1984 1 12 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.662 -0.013 19205 1985 1 12 . 1 1 29 29 ASN C C 29 175.490 175.490 176.385 -0.895 19205 1986 1 12 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.885 -0.550 19205 1987 1 12 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.538 0.028 19205 1988 1 12 . 1 1 29 29 ASN H H 29 8.061 8.061 8.207 -0.146 19205 1989 1 12 . 1 1 30 30 GLY N N 30 107.086 107.086 107.039 0.047 19205 1990 1 12 . 1 1 30 30 GLY C C 30 173.758 173.758 172.865 0.893 19205 1991 1 12 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.176 1.136 19205 1992 1 12 . 1 1 30 30 GLY H H 30 8.294 8.294 7.944 0.350 19205 1993 1 12 . 1 1 31 31 PHE N N 31 115.129 115.129 118.650 -3.521 19205 1994 1 12 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.355 -0.005 19205 1995 1 12 . 1 1 31 31 PHE C C 31 176.773 176.773 175.354 1.419 19205 1996 1 12 . 1 1 31 31 PHE CA C 31 56.410 56.410 55.782 0.628 19205 1997 1 12 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.325 0.149 19205 1998 1 12 . 1 1 31 31 PHE H H 31 7.167 7.167 8.212 -1.045 19205 1999 1 12 . 1 1 32 32 CYS N N 32 123.123 123.123 120.777 2.346 19205 2000 1 12 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.138 -0.039 19205 2001 1 12 . 1 1 32 32 CYS C C 32 175.875 175.875 175.830 0.045 19205 2002 1 12 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.382 -3.952 19205 2003 1 12 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.659 15.428 19205 2004 1 12 . 1 1 32 32 CYS H H 32 8.708 8.708 9.012 -0.304 19205 2005 1 13 . 1 1 2 2 CYS N N 2 120.511 120.511 117.205 3.306 19205 2006 1 13 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.991 -0.118 19205 2007 1 13 . 1 1 2 2 CYS CA C 2 53.145 53.145 57.230 -4.085 19205 2008 1 13 . 1 1 2 2 CYS CB C 2 41.921 41.921 28.591 13.330 19205 2009 1 13 . 1 1 2 2 CYS H H 2 8.866 8.866 8.178 0.688 19205 2010 1 13 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.246 0.052 19205 2011 1 13 . 1 1 3 3 PRO C C 3 176.294 176.294 175.854 0.440 19205 2012 1 13 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.467 0.307 19205 2013 1 13 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.663 1.228 19205 2014 1 13 . 1 1 4 4 GLN N N 4 118.141 118.141 116.885 1.256 19205 2015 1 13 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.664 -0.770 19205 2016 1 13 . 1 1 4 4 GLN C C 4 176.143 176.143 175.450 0.693 19205 2017 1 13 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.301 0.872 19205 2018 1 13 . 1 1 4 4 GLN CB C 4 29.568 29.568 31.078 -1.510 19205 2019 1 13 . 1 1 4 4 GLN H H 4 7.648 7.648 8.195 -0.547 19205 2020 1 13 . 1 1 5 5 GLY N N 5 108.656 108.656 106.996 1.660 19205 2021 1 13 . 1 1 5 5 GLY C C 5 173.733 173.733 173.401 0.332 19205 2022 1 13 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.796 -0.539 19205 2023 1 13 . 1 1 5 5 GLY H H 5 7.759 7.759 7.560 0.199 19205 2024 1 13 . 1 1 6 6 ARG N N 6 119.446 119.446 120.011 -0.565 19205 2025 1 13 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.819 -0.430 19205 2026 1 13 . 1 1 6 6 ARG C C 6 176.780 176.780 177.374 -0.594 19205 2027 1 13 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.399 1.139 19205 2028 1 13 . 1 1 6 6 ARG CB C 6 31.543 31.543 32.755 -1.212 19205 2029 1 13 . 1 1 6 6 ARG H H 6 7.865 7.865 8.248 -0.383 19205 2030 1 13 . 1 1 7 7 GLY N N 7 109.318 109.318 110.080 -0.762 19205 2031 1 13 . 1 1 7 7 GLY C C 7 174.275 174.275 174.792 -0.517 19205 2032 1 13 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.494 -1.474 19205 2033 1 13 . 1 1 7 7 GLY H H 7 8.529 8.529 8.650 -0.121 19205 2034 1 13 . 1 1 8 8 ASP N N 8 121.036 121.036 120.559 0.477 19205 2035 1 13 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.792 -0.237 19205 2036 1 13 . 1 1 8 8 ASP C C 8 175.562 175.562 174.652 0.910 19205 2037 1 13 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.289 0.459 19205 2038 1 13 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.714 -0.655 19205 2039 1 13 . 1 1 8 8 ASP H H 8 8.414 8.414 8.613 -0.199 19205 2040 1 13 . 1 1 9 9 TRP N N 9 121.704 121.704 122.714 -1.010 19205 2041 1 13 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.845 -0.352 19205 2042 1 13 . 1 1 9 9 TRP C C 9 175.498 175.498 174.788 0.710 19205 2043 1 13 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.922 1.172 19205 2044 1 13 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.760 0.049 19205 2045 1 13 . 1 1 9 9 TRP H H 9 7.814 7.814 8.393 -0.579 19205 2046 1 13 . 1 1 10 10 ALA N N 10 128.588 128.588 127.174 1.414 19205 2047 1 13 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.420 -0.007 19205 2048 1 13 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.615 -0.345 19205 2049 1 13 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.607 -0.492 19205 2050 1 13 . 1 1 10 10 ALA H H 10 8.163 8.163 8.188 -0.025 19205 2051 1 13 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.982 -0.651 19205 2052 1 13 . 1 1 11 11 PRO C C 11 176.753 176.753 176.805 -0.052 19205 2053 1 13 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.126 0.870 19205 2054 1 13 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.629 -0.184 19205 2055 1 13 . 1 1 12 12 THR N N 12 119.798 119.798 117.319 2.479 19205 2056 1 13 . 1 1 12 12 THR HA H 12 4.512 4.512 4.725 -0.213 19205 2057 1 13 . 1 1 12 12 THR C C 12 173.572 173.572 174.666 -1.094 19205 2058 1 13 . 1 1 12 12 THR CA C 12 62.099 62.099 61.974 0.125 19205 2059 1 13 . 1 1 12 12 THR CB C 12 71.060 71.060 70.479 0.581 19205 2060 1 13 . 1 1 12 12 THR H H 12 9.006 9.006 8.385 0.621 19205 2061 1 13 . 1 1 13 13 SER N N 13 123.494 123.494 122.159 1.335 19205 2062 1 13 . 1 1 13 13 SER HA H 13 4.539 4.539 4.462 0.077 19205 2063 1 13 . 1 1 13 13 SER C C 13 172.953 172.953 174.589 -1.636 19205 2064 1 13 . 1 1 13 13 SER CA C 13 58.421 58.421 58.402 0.019 19205 2065 1 13 . 1 1 13 13 SER CB C 13 63.844 63.844 62.835 1.009 19205 2066 1 13 . 1 1 13 13 SER H H 13 8.805 8.805 8.722 0.083 19205 2067 1 13 . 1 1 14 14 CYS N N 14 116.548 116.548 120.911 -4.363 19205 2068 1 13 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.933 0.007 19205 2069 1 13 . 1 1 14 14 CYS C C 14 172.746 172.746 173.702 -0.956 19205 2070 1 13 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.796 -2.990 19205 2071 1 13 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.626 15.979 19205 2072 1 13 . 1 1 14 14 CYS H H 14 8.265 8.265 8.539 -0.274 19205 2073 1 13 . 1 1 15 15 SER N N 15 113.958 113.958 113.913 0.045 19205 2074 1 13 . 1 1 15 15 SER HA H 15 4.531 4.531 4.603 -0.072 19205 2075 1 13 . 1 1 15 15 SER C C 15 173.205 173.205 173.772 -0.567 19205 2076 1 13 . 1 1 15 15 SER CA C 15 58.826 58.826 58.535 0.291 19205 2077 1 13 . 1 1 15 15 SER CB C 15 65.097 65.097 64.932 0.165 19205 2078 1 13 . 1 1 15 15 SER H H 15 9.497 9.497 9.123 0.374 19205 2079 1 13 . 1 1 16 16 GLN N N 16 118.516 118.516 119.324 -0.808 19205 2080 1 13 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.604 0.140 19205 2081 1 13 . 1 1 16 16 GLN C C 16 176.335 176.335 174.899 1.436 19205 2082 1 13 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.573 -0.632 19205 2083 1 13 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.624 -0.301 19205 2084 1 13 . 1 1 16 16 GLN H H 16 8.049 8.049 7.726 0.323 19205 2085 1 13 . 1 1 17 17 ASP N N 17 124.190 124.190 121.766 2.424 19205 2086 1 13 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.469 -0.360 19205 2087 1 13 . 1 1 17 17 ASP C C 17 178.349 178.349 177.854 0.495 19205 2088 1 13 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.153 1.794 19205 2089 1 13 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.414 -0.891 19205 2090 1 13 . 1 1 17 17 ASP H H 17 9.208 9.208 8.676 0.532 19205 2091 1 13 . 1 1 18 18 SER N N 18 112.259 112.259 112.135 0.124 19205 2092 1 13 . 1 1 18 18 SER HA H 18 4.228 4.228 4.281 -0.053 19205 2093 1 13 . 1 1 18 18 SER C C 18 175.037 175.037 175.187 -0.150 19205 2094 1 13 . 1 1 18 18 SER CA C 18 60.093 60.093 59.199 0.894 19205 2095 1 13 . 1 1 18 18 SER CB C 18 62.134 62.134 62.961 -0.827 19205 2096 1 13 . 1 1 18 18 SER H H 18 8.371 8.371 8.251 0.120 19205 2097 1 13 . 1 1 19 19 ASP N N 19 120.750 120.750 120.573 0.177 19205 2098 1 13 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.663 -0.072 19205 2099 1 13 . 1 1 19 19 ASP C C 19 175.958 175.958 176.238 -0.280 19205 2100 1 13 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.998 0.887 19205 2101 1 13 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.148 0.874 19205 2102 1 13 . 1 1 19 19 ASP H H 19 7.697 7.697 7.736 -0.039 19205 2103 1 13 . 1 1 20 20 CYS N N 20 118.125 118.125 116.607 1.518 19205 2104 1 13 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.699 0.278 19205 2105 1 13 . 1 1 20 20 CYS C C 20 174.152 174.152 174.735 -0.583 19205 2106 1 13 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.061 -6.080 19205 2107 1 13 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.735 10.239 19205 2108 1 13 . 1 1 20 20 CYS H H 20 7.947 7.947 7.559 0.388 19205 2109 1 13 . 1 1 21 21 LEU N N 21 121.658 121.658 121.624 0.034 19205 2110 1 13 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.295 -0.128 19205 2111 1 13 . 1 1 21 21 LEU C C 21 176.589 176.589 177.562 -0.973 19205 2112 1 13 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.718 0.168 19205 2113 1 13 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.660 0.264 19205 2114 1 13 . 1 1 21 21 LEU H H 21 8.522 8.522 8.359 0.163 19205 2115 1 13 . 1 1 22 22 ALA N N 22 121.907 121.907 123.356 -1.449 19205 2116 1 13 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.146 -0.075 19205 2117 1 13 . 1 1 22 22 ALA C C 22 178.382 178.382 178.487 -0.105 19205 2118 1 13 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.493 0.472 19205 2119 1 13 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.111 -0.167 19205 2120 1 13 . 1 1 22 22 ALA H H 22 8.104 8.104 8.465 -0.361 19205 2121 1 13 . 1 1 23 23 GLY N N 23 110.790 110.790 112.558 -1.768 19205 2122 1 13 . 1 1 23 23 GLY C C 23 174.553 174.553 174.707 -0.154 19205 2123 1 13 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.685 -0.064 19205 2124 1 13 . 1 1 23 23 GLY H H 23 8.644 8.644 8.791 -0.147 19205 2125 1 13 . 1 1 24 24 CYS N N 24 119.431 119.431 119.224 0.207 19205 2126 1 13 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.972 -0.122 19205 2127 1 13 . 1 1 24 24 CYS C C 24 172.768 172.768 174.203 -1.435 19205 2128 1 13 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.193 -3.291 19205 2129 1 13 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.496 16.672 19205 2130 1 13 . 1 1 24 24 CYS H H 24 8.491 8.491 7.796 0.695 19205 2131 1 13 . 1 1 25 25 VAL N N 25 115.469 115.469 116.421 -0.952 19205 2132 1 13 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.582 -0.215 19205 2133 1 13 . 1 1 25 25 VAL C C 25 175.161 175.161 173.828 1.333 19205 2134 1 13 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.776 0.551 19205 2135 1 13 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.322 0.713 19205 2136 1 13 . 1 1 25 25 VAL H H 25 9.324 9.324 8.813 0.511 19205 2137 1 13 . 1 1 26 26 CYS N N 26 123.350 123.350 120.452 2.898 19205 2138 1 13 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.785 0.025 19205 2139 1 13 . 1 1 26 26 CYS C C 26 174.891 174.891 175.882 -0.991 19205 2140 1 13 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.536 -3.337 19205 2141 1 13 . 1 1 26 26 CYS CB C 26 38.260 38.260 26.215 12.045 19205 2142 1 13 . 1 1 26 26 CYS H H 26 9.346 9.346 8.940 0.406 19205 2143 1 13 . 1 1 27 27 GLY N N 27 117.742 117.742 116.530 1.212 19205 2144 1 13 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.115 1.343 19205 2145 1 13 . 1 1 27 27 GLY H H 27 8.259 8.259 9.020 -0.761 19205 2146 1 13 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.405 -0.035 19205 2147 1 13 . 1 1 28 28 PRO C C 28 176.720 176.720 176.908 -0.188 19205 2148 1 13 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.530 -0.044 19205 2149 1 13 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.667 -0.114 19205 2150 1 13 . 1 1 29 29 ASN N N 29 114.300 114.300 116.279 -1.979 19205 2151 1 13 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.675 -0.026 19205 2152 1 13 . 1 1 29 29 ASN C C 29 175.490 175.490 176.366 -0.876 19205 2153 1 13 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.982 -0.647 19205 2154 1 13 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.605 -0.039 19205 2155 1 13 . 1 1 29 29 ASN H H 29 8.061 8.061 8.243 -0.182 19205 2156 1 13 . 1 1 30 30 GLY N N 30 107.086 107.086 106.810 0.276 19205 2157 1 13 . 1 1 30 30 GLY C C 30 173.758 173.758 172.818 0.940 19205 2158 1 13 . 1 1 30 30 GLY CA C 30 46.312 46.312 44.990 1.322 19205 2159 1 13 . 1 1 30 30 GLY H H 30 8.294 8.294 7.859 0.435 19205 2160 1 13 . 1 1 31 31 PHE N N 31 115.129 115.129 118.554 -3.425 19205 2161 1 13 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.403 -0.053 19205 2162 1 13 . 1 1 31 31 PHE C C 31 176.773 176.773 175.306 1.467 19205 2163 1 13 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.016 0.394 19205 2164 1 13 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.566 -0.092 19205 2165 1 13 . 1 1 31 31 PHE H H 31 7.167 7.167 8.300 -1.133 19205 2166 1 13 . 1 1 32 32 CYS N N 32 123.123 123.123 121.072 2.051 19205 2167 1 13 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.087 0.012 19205 2168 1 13 . 1 1 32 32 CYS C C 32 175.875 175.875 175.862 0.013 19205 2169 1 13 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.407 -3.977 19205 2170 1 13 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.237 15.850 19205 2171 1 13 . 1 1 32 32 CYS H H 32 8.708 8.708 8.967 -0.259 19205 2172 1 14 . 1 1 2 2 CYS N N 2 120.511 120.511 118.338 2.173 19205 2173 1 14 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.983 -0.110 19205 2174 1 14 . 1 1 2 2 CYS CA C 2 53.145 53.145 54.810 -1.665 19205 2175 1 14 . 1 1 2 2 CYS CB C 2 41.921 41.921 27.514 14.407 19205 2176 1 14 . 1 1 2 2 CYS H H 2 8.866 8.866 8.635 0.231 19205 2177 1 14 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.212 0.086 19205 2178 1 14 . 1 1 3 3 PRO C C 3 176.294 176.294 175.626 0.668 19205 2179 1 14 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.207 0.567 19205 2180 1 14 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.371 1.520 19205 2181 1 14 . 1 1 4 4 GLN N N 4 118.141 118.141 118.073 0.068 19205 2182 1 14 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.647 -0.753 19205 2183 1 14 . 1 1 4 4 GLN C C 4 176.143 176.143 175.467 0.676 19205 2184 1 14 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.584 0.589 19205 2185 1 14 . 1 1 4 4 GLN CB C 4 29.568 29.568 31.255 -1.687 19205 2186 1 14 . 1 1 4 4 GLN H H 4 7.648 7.648 8.280 -0.632 19205 2187 1 14 . 1 1 5 5 GLY N N 5 108.656 108.656 106.873 1.783 19205 2188 1 14 . 1 1 5 5 GLY C C 5 173.733 173.733 173.354 0.379 19205 2189 1 14 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.744 -0.487 19205 2190 1 14 . 1 1 5 5 GLY H H 5 7.759 7.759 7.668 0.091 19205 2191 1 14 . 1 1 6 6 ARG N N 6 119.446 119.446 120.158 -0.712 19205 2192 1 14 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.810 -0.421 19205 2193 1 14 . 1 1 6 6 ARG C C 6 176.780 176.780 177.311 -0.531 19205 2194 1 14 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.526 1.012 19205 2195 1 14 . 1 1 6 6 ARG CB C 6 31.543 31.543 33.073 -1.530 19205 2196 1 14 . 1 1 6 6 ARG H H 6 7.865 7.865 8.119 -0.254 19205 2197 1 14 . 1 1 7 7 GLY N N 7 109.318 109.318 110.634 -1.316 19205 2198 1 14 . 1 1 7 7 GLY C C 7 174.275 174.275 174.435 -0.160 19205 2199 1 14 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.177 -1.157 19205 2200 1 14 . 1 1 7 7 GLY H H 7 8.529 8.529 8.761 -0.232 19205 2201 1 14 . 1 1 8 8 ASP N N 8 121.036 121.036 119.315 1.721 19205 2202 1 14 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.712 -0.157 19205 2203 1 14 . 1 1 8 8 ASP C C 8 175.562 175.562 174.836 0.726 19205 2204 1 14 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.968 -0.220 19205 2205 1 14 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.703 -0.644 19205 2206 1 14 . 1 1 8 8 ASP H H 8 8.414 8.414 8.608 -0.194 19205 2207 1 14 . 1 1 9 9 TRP N N 9 121.704 121.704 122.634 -0.930 19205 2208 1 14 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.818 -0.325 19205 2209 1 14 . 1 1 9 9 TRP C C 9 175.498 175.498 174.652 0.846 19205 2210 1 14 . 1 1 9 9 TRP CA C 9 57.094 57.094 56.005 1.089 19205 2211 1 14 . 1 1 9 9 TRP CB C 9 29.809 29.809 30.057 -0.248 19205 2212 1 14 . 1 1 9 9 TRP H H 9 7.814 7.814 8.335 -0.521 19205 2213 1 14 . 1 1 10 10 ALA N N 10 128.588 128.588 127.507 1.081 19205 2214 1 14 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.410 0.003 19205 2215 1 14 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.640 -0.370 19205 2216 1 14 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.509 -0.393 19205 2217 1 14 . 1 1 10 10 ALA H H 10 8.163 8.163 8.286 -0.123 19205 2218 1 14 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.897 -0.566 19205 2219 1 14 . 1 1 11 11 PRO C C 11 176.753 176.753 176.733 0.020 19205 2220 1 14 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.101 0.895 19205 2221 1 14 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.550 -0.105 19205 2222 1 14 . 1 1 12 12 THR N N 12 119.798 119.798 117.987 1.811 19205 2223 1 14 . 1 1 12 12 THR HA H 12 4.512 4.512 4.736 -0.224 19205 2224 1 14 . 1 1 12 12 THR C C 12 173.572 173.572 174.608 -1.036 19205 2225 1 14 . 1 1 12 12 THR CA C 12 62.099 62.099 62.143 -0.044 19205 2226 1 14 . 1 1 12 12 THR CB C 12 71.060 71.060 70.268 0.792 19205 2227 1 14 . 1 1 12 12 THR H H 12 9.006 9.006 9.083 -0.077 19205 2228 1 14 . 1 1 13 13 SER N N 13 123.494 123.494 122.399 1.095 19205 2229 1 14 . 1 1 13 13 SER HA H 13 4.539 4.539 4.443 0.096 19205 2230 1 14 . 1 1 13 13 SER C C 13 172.953 172.953 174.546 -1.593 19205 2231 1 14 . 1 1 13 13 SER CA C 13 58.421 58.421 58.622 -0.201 19205 2232 1 14 . 1 1 13 13 SER CB C 13 63.844 63.844 62.919 0.925 19205 2233 1 14 . 1 1 13 13 SER H H 13 8.805 8.805 8.813 -0.008 19205 2234 1 14 . 1 1 14 14 CYS N N 14 116.548 116.548 120.933 -4.385 19205 2235 1 14 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.809 0.131 19205 2236 1 14 . 1 1 14 14 CYS C C 14 172.746 172.746 173.750 -1.004 19205 2237 1 14 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.674 -2.868 19205 2238 1 14 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.760 15.845 19205 2239 1 14 . 1 1 14 14 CYS H H 14 8.265 8.265 8.136 0.129 19205 2240 1 14 . 1 1 15 15 SER N N 15 113.958 113.958 114.476 -0.518 19205 2241 1 14 . 1 1 15 15 SER HA H 15 4.531 4.531 4.653 -0.122 19205 2242 1 14 . 1 1 15 15 SER C C 15 173.205 173.205 173.956 -0.751 19205 2243 1 14 . 1 1 15 15 SER CA C 15 58.826 58.826 58.897 -0.071 19205 2244 1 14 . 1 1 15 15 SER CB C 15 65.097 65.097 65.051 0.046 19205 2245 1 14 . 1 1 15 15 SER H H 15 9.497 9.497 9.194 0.303 19205 2246 1 14 . 1 1 16 16 GLN N N 16 118.516 118.516 119.089 -0.573 19205 2247 1 14 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.607 0.137 19205 2248 1 14 . 1 1 16 16 GLN C C 16 176.335 176.335 174.750 1.585 19205 2249 1 14 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.601 -0.660 19205 2250 1 14 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.154 0.169 19205 2251 1 14 . 1 1 16 16 GLN H H 16 8.049 8.049 7.908 0.141 19205 2252 1 14 . 1 1 17 17 ASP N N 17 124.190 124.190 121.249 2.941 19205 2253 1 14 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.442 -0.333 19205 2254 1 14 . 1 1 17 17 ASP C C 17 178.349 178.349 177.903 0.446 19205 2255 1 14 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.300 1.647 19205 2256 1 14 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.264 -0.741 19205 2257 1 14 . 1 1 17 17 ASP H H 17 9.208 9.208 8.708 0.500 19205 2258 1 14 . 1 1 18 18 SER N N 18 112.259 112.259 112.329 -0.070 19205 2259 1 14 . 1 1 18 18 SER HA H 18 4.228 4.228 4.262 -0.034 19205 2260 1 14 . 1 1 18 18 SER C C 18 175.037 175.037 175.457 -0.420 19205 2261 1 14 . 1 1 18 18 SER CA C 18 60.093 60.093 59.880 0.213 19205 2262 1 14 . 1 1 18 18 SER CB C 18 62.134 62.134 63.106 -0.972 19205 2263 1 14 . 1 1 18 18 SER H H 18 8.371 8.371 8.382 -0.011 19205 2264 1 14 . 1 1 19 19 ASP N N 19 120.750 120.750 120.548 0.202 19205 2265 1 14 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.636 -0.045 19205 2266 1 14 . 1 1 19 19 ASP C C 19 175.958 175.958 176.431 -0.473 19205 2267 1 14 . 1 1 19 19 ASP CA C 19 55.885 55.885 55.108 0.777 19205 2268 1 14 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.166 0.855 19205 2269 1 14 . 1 1 19 19 ASP H H 19 7.697 7.697 7.827 -0.130 19205 2270 1 14 . 1 1 20 20 CYS N N 20 118.125 118.125 116.674 1.451 19205 2271 1 14 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.700 0.277 19205 2272 1 14 . 1 1 20 20 CYS C C 20 174.152 174.152 174.967 -0.815 19205 2273 1 14 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.395 -6.414 19205 2274 1 14 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.763 10.211 19205 2275 1 14 . 1 1 20 20 CYS H H 20 7.947 7.947 7.754 0.193 19205 2276 1 14 . 1 1 21 21 LEU N N 21 121.658 121.658 121.531 0.127 19205 2277 1 14 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.334 -0.167 19205 2278 1 14 . 1 1 21 21 LEU C C 21 176.589 176.589 177.434 -0.845 19205 2279 1 14 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.568 0.318 19205 2280 1 14 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.767 0.156 19205 2281 1 14 . 1 1 21 21 LEU H H 21 8.522 8.522 8.520 0.002 19205 2282 1 14 . 1 1 22 22 ALA N N 22 121.907 121.907 123.413 -1.506 19205 2283 1 14 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.144 -0.072 19205 2284 1 14 . 1 1 22 22 ALA C C 22 178.382 178.382 178.516 -0.134 19205 2285 1 14 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.510 0.455 19205 2286 1 14 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.211 -0.267 19205 2287 1 14 . 1 1 22 22 ALA H H 22 8.104 8.104 8.446 -0.342 19205 2288 1 14 . 1 1 23 23 GLY N N 23 110.790 110.790 112.391 -1.601 19205 2289 1 14 . 1 1 23 23 GLY C C 23 174.553 174.553 174.549 0.004 19205 2290 1 14 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.740 -0.119 19205 2291 1 14 . 1 1 23 23 GLY H H 23 8.644 8.644 8.809 -0.165 19205 2292 1 14 . 1 1 24 24 CYS N N 24 119.431 119.431 118.426 1.005 19205 2293 1 14 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.958 -0.108 19205 2294 1 14 . 1 1 24 24 CYS C C 24 172.768 172.768 173.905 -1.137 19205 2295 1 14 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.078 -3.176 19205 2296 1 14 . 1 1 24 24 CYS CB C 24 46.168 46.168 30.029 16.139 19205 2297 1 14 . 1 1 24 24 CYS H H 24 8.491 8.491 7.678 0.813 19205 2298 1 14 . 1 1 25 25 VAL N N 25 115.469 115.469 115.796 -0.327 19205 2299 1 14 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.684 -0.317 19205 2300 1 14 . 1 1 25 25 VAL C C 25 175.161 175.161 173.796 1.365 19205 2301 1 14 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.306 0.021 19205 2302 1 14 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.737 0.298 19205 2303 1 14 . 1 1 25 25 VAL H H 25 9.324 9.324 9.009 0.315 19205 2304 1 14 . 1 1 26 26 CYS N N 26 123.350 123.350 121.252 2.098 19205 2305 1 14 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.805 0.005 19205 2306 1 14 . 1 1 26 26 CYS C C 26 174.891 174.891 176.152 -1.261 19205 2307 1 14 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.517 -3.318 19205 2308 1 14 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.456 12.804 19205 2309 1 14 . 1 1 26 26 CYS H H 26 9.346 9.346 8.857 0.489 19205 2310 1 14 . 1 1 27 27 GLY N N 27 117.742 117.742 116.736 1.006 19205 2311 1 14 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.103 1.355 19205 2312 1 14 . 1 1 27 27 GLY H H 27 8.259 8.259 8.836 -0.577 19205 2313 1 14 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.432 -0.062 19205 2314 1 14 . 1 1 28 28 PRO C C 28 176.720 176.720 176.756 -0.036 19205 2315 1 14 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.321 0.165 19205 2316 1 14 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.614 -0.062 19205 2317 1 14 . 1 1 29 29 ASN N N 29 114.300 114.300 116.487 -2.187 19205 2318 1 14 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.686 -0.037 19205 2319 1 14 . 1 1 29 29 ASN C C 29 175.490 175.490 176.514 -1.024 19205 2320 1 14 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.948 -0.613 19205 2321 1 14 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.671 -0.105 19205 2322 1 14 . 1 1 29 29 ASN H H 29 8.061 8.061 8.215 -0.154 19205 2323 1 14 . 1 1 30 30 GLY N N 30 107.086 107.086 107.240 -0.154 19205 2324 1 14 . 1 1 30 30 GLY C C 30 173.758 173.758 172.906 0.852 19205 2325 1 14 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.154 1.158 19205 2326 1 14 . 1 1 30 30 GLY H H 30 8.294 8.294 8.004 0.290 19205 2327 1 14 . 1 1 31 31 PHE N N 31 115.129 115.129 118.179 -3.050 19205 2328 1 14 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.289 0.061 19205 2329 1 14 . 1 1 31 31 PHE C C 31 176.773 176.773 175.220 1.553 19205 2330 1 14 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.189 0.221 19205 2331 1 14 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.705 -0.231 19205 2332 1 14 . 1 1 31 31 PHE H H 31 7.167 7.167 8.350 -1.183 19205 2333 1 14 . 1 1 32 32 CYS N N 32 123.123 123.123 120.636 2.487 19205 2334 1 14 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.169 -0.070 19205 2335 1 14 . 1 1 32 32 CYS C C 32 175.875 175.875 175.957 -0.082 19205 2336 1 14 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.390 -3.960 19205 2337 1 14 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.428 15.659 19205 2338 1 14 . 1 1 32 32 CYS H H 32 8.708 8.708 8.889 -0.181 19205 2339 1 15 . 1 1 2 2 CYS N N 2 120.511 120.511 119.277 1.234 19205 2340 1 15 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.827 0.046 19205 2341 1 15 . 1 1 2 2 CYS CA C 2 53.145 53.145 55.727 -2.582 19205 2342 1 15 . 1 1 2 2 CYS CB C 2 41.921 41.921 26.573 15.348 19205 2343 1 15 . 1 1 2 2 CYS H H 2 8.866 8.866 8.690 0.176 19205 2344 1 15 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.226 0.072 19205 2345 1 15 . 1 1 3 3 PRO C C 3 176.294 176.294 175.683 0.611 19205 2346 1 15 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.135 0.639 19205 2347 1 15 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.234 1.657 19205 2348 1 15 . 1 1 4 4 GLN N N 4 118.141 118.141 119.191 -1.050 19205 2349 1 15 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.680 -0.786 19205 2350 1 15 . 1 1 4 4 GLN C C 4 176.143 176.143 175.057 1.086 19205 2351 1 15 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.216 0.957 19205 2352 1 15 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.317 -0.749 19205 2353 1 15 . 1 1 4 4 GLN H H 4 7.648 7.648 8.271 -0.623 19205 2354 1 15 . 1 1 5 5 GLY N N 5 108.656 108.656 107.016 1.640 19205 2355 1 15 . 1 1 5 5 GLY C C 5 173.733 173.733 174.224 -0.491 19205 2356 1 15 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.089 0.168 19205 2357 1 15 . 1 1 5 5 GLY H H 5 7.759 7.759 7.838 -0.079 19205 2358 1 15 . 1 1 6 6 ARG N N 6 119.446 119.446 120.826 -1.380 19205 2359 1 15 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.684 -0.295 19205 2360 1 15 . 1 1 6 6 ARG C C 6 176.780 176.780 176.734 0.046 19205 2361 1 15 . 1 1 6 6 ARG CA C 6 55.538 55.538 55.008 0.530 19205 2362 1 15 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.483 0.060 19205 2363 1 15 . 1 1 6 6 ARG H H 6 7.865 7.865 7.784 0.081 19205 2364 1 15 . 1 1 7 7 GLY N N 7 109.318 109.318 109.090 0.228 19205 2365 1 15 . 1 1 7 7 GLY C C 7 174.275 174.275 174.883 -0.608 19205 2366 1 15 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.577 -0.557 19205 2367 1 15 . 1 1 7 7 GLY H H 7 8.529 8.529 8.595 -0.066 19205 2368 1 15 . 1 1 8 8 ASP N N 8 121.036 121.036 119.343 1.693 19205 2369 1 15 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.746 -0.191 19205 2370 1 15 . 1 1 8 8 ASP C C 8 175.562 175.562 175.873 -0.311 19205 2371 1 15 . 1 1 8 8 ASP CA C 8 53.748 53.748 54.136 -0.388 19205 2372 1 15 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.553 -0.494 19205 2373 1 15 . 1 1 8 8 ASP H H 8 8.414 8.414 8.614 -0.200 19205 2374 1 15 . 1 1 9 9 TRP N N 9 121.704 121.704 122.068 -0.364 19205 2375 1 15 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.813 -0.320 19205 2376 1 15 . 1 1 9 9 TRP C C 9 175.498 175.498 175.082 0.416 19205 2377 1 15 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.843 1.251 19205 2378 1 15 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.281 0.528 19205 2379 1 15 . 1 1 9 9 TRP H H 9 7.814 7.814 7.360 0.454 19205 2380 1 15 . 1 1 10 10 ALA N N 10 128.588 128.588 128.035 0.553 19205 2381 1 15 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.430 -0.017 19205 2382 1 15 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.720 -0.450 19205 2383 1 15 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.515 -0.400 19205 2384 1 15 . 1 1 10 10 ALA H H 10 8.163 8.163 7.986 0.177 19205 2385 1 15 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.946 -0.615 19205 2386 1 15 . 1 1 11 11 PRO C C 11 176.753 176.753 176.813 -0.060 19205 2387 1 15 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.133 0.863 19205 2388 1 15 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.496 -0.051 19205 2389 1 15 . 1 1 12 12 THR N N 12 119.798 119.798 117.342 2.456 19205 2390 1 15 . 1 1 12 12 THR HA H 12 4.512 4.512 4.723 -0.211 19205 2391 1 15 . 1 1 12 12 THR C C 12 173.572 173.572 174.735 -1.163 19205 2392 1 15 . 1 1 12 12 THR CA C 12 62.099 62.099 62.144 -0.045 19205 2393 1 15 . 1 1 12 12 THR CB C 12 71.060 71.060 70.019 1.041 19205 2394 1 15 . 1 1 12 12 THR H H 12 9.006 9.006 8.561 0.445 19205 2395 1 15 . 1 1 13 13 SER N N 13 123.494 123.494 121.779 1.715 19205 2396 1 15 . 1 1 13 13 SER HA H 13 4.539 4.539 4.194 0.345 19205 2397 1 15 . 1 1 13 13 SER C C 13 172.953 172.953 174.386 -1.433 19205 2398 1 15 . 1 1 13 13 SER CA C 13 58.421 58.421 58.237 0.184 19205 2399 1 15 . 1 1 13 13 SER CB C 13 63.844 63.844 62.953 0.891 19205 2400 1 15 . 1 1 13 13 SER H H 13 8.805 8.805 8.743 0.062 19205 2401 1 15 . 1 1 14 14 CYS N N 14 116.548 116.548 120.882 -4.334 19205 2402 1 15 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.817 0.123 19205 2403 1 15 . 1 1 14 14 CYS C C 14 172.746 172.746 173.553 -0.807 19205 2404 1 15 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.806 -3.000 19205 2405 1 15 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.612 15.993 19205 2406 1 15 . 1 1 14 14 CYS H H 14 8.265 8.265 8.243 0.022 19205 2407 1 15 . 1 1 15 15 SER N N 15 113.958 113.958 114.080 -0.122 19205 2408 1 15 . 1 1 15 15 SER HA H 15 4.531 4.531 4.582 -0.051 19205 2409 1 15 . 1 1 15 15 SER C C 15 173.205 173.205 173.756 -0.551 19205 2410 1 15 . 1 1 15 15 SER CA C 15 58.826 58.826 58.936 -0.110 19205 2411 1 15 . 1 1 15 15 SER CB C 15 65.097 65.097 64.886 0.211 19205 2412 1 15 . 1 1 15 15 SER H H 15 9.497 9.497 9.067 0.430 19205 2413 1 15 . 1 1 16 16 GLN N N 16 118.516 118.516 119.122 -0.606 19205 2414 1 15 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.616 0.128 19205 2415 1 15 . 1 1 16 16 GLN C C 16 176.335 176.335 174.611 1.724 19205 2416 1 15 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.746 -0.805 19205 2417 1 15 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.128 0.195 19205 2418 1 15 . 1 1 16 16 GLN H H 16 8.049 8.049 7.770 0.279 19205 2419 1 15 . 1 1 17 17 ASP N N 17 124.190 124.190 122.565 1.625 19205 2420 1 15 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.394 -0.285 19205 2421 1 15 . 1 1 17 17 ASP C C 17 178.349 178.349 178.164 0.185 19205 2422 1 15 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.219 1.728 19205 2423 1 15 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.385 -0.862 19205 2424 1 15 . 1 1 17 17 ASP H H 17 9.208 9.208 8.727 0.481 19205 2425 1 15 . 1 1 18 18 SER N N 18 112.259 112.259 112.294 -0.035 19205 2426 1 15 . 1 1 18 18 SER HA H 18 4.228 4.228 4.256 -0.028 19205 2427 1 15 . 1 1 18 18 SER C C 18 175.037 175.037 175.020 0.017 19205 2428 1 15 . 1 1 18 18 SER CA C 18 60.093 60.093 59.597 0.496 19205 2429 1 15 . 1 1 18 18 SER CB C 18 62.134 62.134 62.937 -0.803 19205 2430 1 15 . 1 1 18 18 SER H H 18 8.371 8.371 8.122 0.249 19205 2431 1 15 . 1 1 19 19 ASP N N 19 120.750 120.750 120.419 0.331 19205 2432 1 15 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.688 -0.097 19205 2433 1 15 . 1 1 19 19 ASP C C 19 175.958 175.958 176.233 -0.275 19205 2434 1 15 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.822 1.063 19205 2435 1 15 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.108 0.914 19205 2436 1 15 . 1 1 19 19 ASP H H 19 7.697 7.697 7.746 -0.049 19205 2437 1 15 . 1 1 20 20 CYS N N 20 118.125 118.125 116.651 1.474 19205 2438 1 15 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.697 0.280 19205 2439 1 15 . 1 1 20 20 CYS C C 20 174.152 174.152 174.477 -0.325 19205 2440 1 15 . 1 1 20 20 CYS CA C 20 51.981 51.981 57.939 -5.958 19205 2441 1 15 . 1 1 20 20 CYS CB C 20 39.974 39.974 30.011 9.963 19205 2442 1 15 . 1 1 20 20 CYS H H 20 7.947 7.947 7.671 0.276 19205 2443 1 15 . 1 1 21 21 LEU N N 21 121.658 121.658 121.470 0.188 19205 2444 1 15 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.379 -0.212 19205 2445 1 15 . 1 1 21 21 LEU C C 21 176.589 176.589 177.362 -0.773 19205 2446 1 15 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.406 0.480 19205 2447 1 15 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.757 0.166 19205 2448 1 15 . 1 1 21 21 LEU H H 21 8.522 8.522 8.317 0.205 19205 2449 1 15 . 1 1 22 22 ALA N N 22 121.907 121.907 122.930 -1.023 19205 2450 1 15 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.191 -0.119 19205 2451 1 15 . 1 1 22 22 ALA C C 22 178.382 178.382 178.572 -0.190 19205 2452 1 15 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.549 0.416 19205 2453 1 15 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.515 -0.571 19205 2454 1 15 . 1 1 22 22 ALA H H 22 8.104 8.104 8.443 -0.339 19205 2455 1 15 . 1 1 23 23 GLY N N 23 110.790 110.790 111.527 -0.737 19205 2456 1 15 . 1 1 23 23 GLY C C 23 174.553 174.553 174.753 -0.200 19205 2457 1 15 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.808 -0.187 19205 2458 1 15 . 1 1 23 23 GLY H H 23 8.644 8.644 8.706 -0.062 19205 2459 1 15 . 1 1 24 24 CYS N N 24 119.431 119.431 120.062 -0.631 19205 2460 1 15 . 1 1 24 24 CYS HA H 24 4.850 4.850 5.182 -0.332 19205 2461 1 15 . 1 1 24 24 CYS C C 24 172.768 172.768 174.157 -1.389 19205 2462 1 15 . 1 1 24 24 CYS CA C 24 54.902 54.902 59.126 -4.224 19205 2463 1 15 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.858 16.310 19205 2464 1 15 . 1 1 24 24 CYS H H 24 8.491 8.491 7.708 0.783 19205 2465 1 15 . 1 1 25 25 VAL N N 25 115.469 115.469 117.237 -1.768 19205 2466 1 15 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.684 -0.317 19205 2467 1 15 . 1 1 25 25 VAL C C 25 175.161 175.161 173.820 1.341 19205 2468 1 15 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.283 0.044 19205 2469 1 15 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.928 0.107 19205 2470 1 15 . 1 1 25 25 VAL H H 25 9.324 9.324 9.196 0.128 19205 2471 1 15 . 1 1 26 26 CYS N N 26 123.350 123.350 121.696 1.654 19205 2472 1 15 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.816 -0.006 19205 2473 1 15 . 1 1 26 26 CYS C C 26 174.891 174.891 176.251 -1.360 19205 2474 1 15 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.899 -3.700 19205 2475 1 15 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.420 12.840 19205 2476 1 15 . 1 1 26 26 CYS H H 26 9.346 9.346 8.876 0.470 19205 2477 1 15 . 1 1 27 27 GLY N N 27 117.742 117.742 116.838 0.904 19205 2478 1 15 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.216 1.242 19205 2479 1 15 . 1 1 27 27 GLY H H 27 8.259 8.259 9.044 -0.785 19205 2480 1 15 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.429 -0.059 19205 2481 1 15 . 1 1 28 28 PRO C C 28 176.720 176.720 176.847 -0.127 19205 2482 1 15 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.379 0.107 19205 2483 1 15 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.659 -0.106 19205 2484 1 15 . 1 1 29 29 ASN N N 29 114.300 114.300 116.409 -2.109 19205 2485 1 15 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.692 -0.043 19205 2486 1 15 . 1 1 29 29 ASN C C 29 175.490 175.490 176.393 -0.903 19205 2487 1 15 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.953 -0.618 19205 2488 1 15 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.608 -0.042 19205 2489 1 15 . 1 1 29 29 ASN H H 29 8.061 8.061 8.234 -0.173 19205 2490 1 15 . 1 1 30 30 GLY N N 30 107.086 107.086 107.345 -0.259 19205 2491 1 15 . 1 1 30 30 GLY C C 30 173.758 173.758 172.917 0.841 19205 2492 1 15 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.133 1.179 19205 2493 1 15 . 1 1 30 30 GLY H H 30 8.294 8.294 7.953 0.341 19205 2494 1 15 . 1 1 31 31 PHE N N 31 115.129 115.129 118.012 -2.883 19205 2495 1 15 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.307 0.043 19205 2496 1 15 . 1 1 31 31 PHE C C 31 176.773 176.773 175.069 1.704 19205 2497 1 15 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.251 0.159 19205 2498 1 15 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.955 -0.481 19205 2499 1 15 . 1 1 31 31 PHE H H 31 7.167 7.167 8.239 -1.072 19205 2500 1 15 . 1 1 32 32 CYS N N 32 123.123 123.123 120.498 2.625 19205 2501 1 15 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.151 -0.052 19205 2502 1 15 . 1 1 32 32 CYS C C 32 175.875 175.875 175.863 0.012 19205 2503 1 15 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.373 -3.943 19205 2504 1 15 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.192 15.895 19205 2505 1 15 . 1 1 32 32 CYS H H 32 8.708 8.708 8.880 -0.172 19205 2506 1 16 . 1 1 2 2 CYS N N 2 120.511 120.511 118.156 2.355 19205 2507 1 16 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.789 0.084 19205 2508 1 16 . 1 1 2 2 CYS CA C 2 53.145 53.145 55.875 -2.730 19205 2509 1 16 . 1 1 2 2 CYS CB C 2 41.921 41.921 27.671 14.250 19205 2510 1 16 . 1 1 2 2 CYS H H 2 8.866 8.866 8.164 0.702 19205 2511 1 16 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.124 0.174 19205 2512 1 16 . 1 1 3 3 PRO C C 3 176.294 176.294 175.440 0.854 19205 2513 1 16 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.098 0.676 19205 2514 1 16 . 1 1 3 3 PRO CB C 3 31.891 31.891 29.913 1.978 19205 2515 1 16 . 1 1 4 4 GLN N N 4 118.141 118.141 117.358 0.783 19205 2516 1 16 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.624 -0.730 19205 2517 1 16 . 1 1 4 4 GLN C C 4 176.143 176.143 175.028 1.115 19205 2518 1 16 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.101 1.072 19205 2519 1 16 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.585 -1.017 19205 2520 1 16 . 1 1 4 4 GLN H H 4 7.648 7.648 8.170 -0.522 19205 2521 1 16 . 1 1 5 5 GLY N N 5 108.656 108.656 106.678 1.978 19205 2522 1 16 . 1 1 5 5 GLY C C 5 173.733 173.733 173.179 0.554 19205 2523 1 16 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.748 -0.491 19205 2524 1 16 . 1 1 5 5 GLY H H 5 7.759 7.759 7.532 0.227 19205 2525 1 16 . 1 1 6 6 ARG N N 6 119.446 119.446 120.639 -1.193 19205 2526 1 16 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.816 -0.427 19205 2527 1 16 . 1 1 6 6 ARG C C 6 176.780 176.780 177.262 -0.482 19205 2528 1 16 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.576 0.962 19205 2529 1 16 . 1 1 6 6 ARG CB C 6 31.543 31.543 33.288 -1.744 19205 2530 1 16 . 1 1 6 6 ARG H H 6 7.865 7.865 8.349 -0.484 19205 2531 1 16 . 1 1 7 7 GLY N N 7 109.318 109.318 110.904 -1.586 19205 2532 1 16 . 1 1 7 7 GLY C C 7 174.275 174.275 174.398 -0.123 19205 2533 1 16 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.206 -1.186 19205 2534 1 16 . 1 1 7 7 GLY H H 7 8.529 8.529 8.767 -0.238 19205 2535 1 16 . 1 1 8 8 ASP N N 8 121.036 121.036 119.734 1.302 19205 2536 1 16 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.681 -0.126 19205 2537 1 16 . 1 1 8 8 ASP C C 8 175.562 175.562 174.968 0.594 19205 2538 1 16 . 1 1 8 8 ASP CA C 8 53.748 53.748 54.123 -0.375 19205 2539 1 16 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.503 -0.444 19205 2540 1 16 . 1 1 8 8 ASP H H 8 8.414 8.414 8.673 -0.259 19205 2541 1 16 . 1 1 9 9 TRP N N 9 121.704 121.704 122.730 -1.026 19205 2542 1 16 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.803 -0.310 19205 2543 1 16 . 1 1 9 9 TRP C C 9 175.498 175.498 174.625 0.873 19205 2544 1 16 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.928 1.166 19205 2545 1 16 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.627 0.182 19205 2546 1 16 . 1 1 9 9 TRP H H 9 7.814 7.814 8.274 -0.460 19205 2547 1 16 . 1 1 10 10 ALA N N 10 128.588 128.588 128.018 0.570 19205 2548 1 16 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.421 -0.008 19205 2549 1 16 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.660 -0.390 19205 2550 1 16 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.563 -0.448 19205 2551 1 16 . 1 1 10 10 ALA H H 10 8.163 8.163 8.405 -0.242 19205 2552 1 16 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.939 -0.608 19205 2553 1 16 . 1 1 11 11 PRO C C 11 176.753 176.753 176.690 0.063 19205 2554 1 16 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.072 0.924 19205 2555 1 16 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.588 -0.143 19205 2556 1 16 . 1 1 12 12 THR N N 12 119.798 119.798 116.226 3.572 19205 2557 1 16 . 1 1 12 12 THR HA H 12 4.512 4.512 4.709 -0.197 19205 2558 1 16 . 1 1 12 12 THR C C 12 173.572 173.572 174.283 -0.711 19205 2559 1 16 . 1 1 12 12 THR CA C 12 62.099 62.099 61.780 0.319 19205 2560 1 16 . 1 1 12 12 THR CB C 12 71.060 71.060 70.674 0.386 19205 2561 1 16 . 1 1 12 12 THR H H 12 9.006 9.006 8.295 0.711 19205 2562 1 16 . 1 1 13 13 SER N N 13 123.494 123.494 121.209 2.285 19205 2563 1 16 . 1 1 13 13 SER HA H 13 4.539 4.539 4.360 0.179 19205 2564 1 16 . 1 1 13 13 SER C C 13 172.953 172.953 174.362 -1.409 19205 2565 1 16 . 1 1 13 13 SER CA C 13 58.421 58.421 59.513 -1.092 19205 2566 1 16 . 1 1 13 13 SER CB C 13 63.844 63.844 63.469 0.375 19205 2567 1 16 . 1 1 13 13 SER H H 13 8.805 8.805 8.816 -0.011 19205 2568 1 16 . 1 1 14 14 CYS N N 14 116.548 116.548 121.838 -5.290 19205 2569 1 16 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.987 -0.047 19205 2570 1 16 . 1 1 14 14 CYS C C 14 172.746 172.746 173.358 -0.612 19205 2571 1 16 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.479 -2.673 19205 2572 1 16 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.343 16.262 19205 2573 1 16 . 1 1 14 14 CYS H H 14 8.265 8.265 8.768 -0.503 19205 2574 1 16 . 1 1 15 15 SER N N 15 113.958 113.958 114.147 -0.189 19205 2575 1 16 . 1 1 15 15 SER HA H 15 4.531 4.531 4.658 -0.127 19205 2576 1 16 . 1 1 15 15 SER C C 15 173.205 173.205 173.695 -0.490 19205 2577 1 16 . 1 1 15 15 SER CA C 15 58.826 58.826 58.798 0.028 19205 2578 1 16 . 1 1 15 15 SER CB C 15 65.097 65.097 65.060 0.037 19205 2579 1 16 . 1 1 15 15 SER H H 15 9.497 9.497 9.106 0.391 19205 2580 1 16 . 1 1 16 16 GLN N N 16 118.516 118.516 119.325 -0.809 19205 2581 1 16 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.707 0.037 19205 2582 1 16 . 1 1 16 16 GLN C C 16 176.335 176.335 174.397 1.938 19205 2583 1 16 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.818 -0.877 19205 2584 1 16 . 1 1 16 16 GLN CB C 16 31.323 31.323 30.800 0.522 19205 2585 1 16 . 1 1 16 16 GLN H H 16 8.049 8.049 7.646 0.403 19205 2586 1 16 . 1 1 17 17 ASP N N 17 124.190 124.190 121.869 2.321 19205 2587 1 16 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.437 -0.328 19205 2588 1 16 . 1 1 17 17 ASP C C 17 178.349 178.349 178.291 0.058 19205 2589 1 16 . 1 1 17 17 ASP CA C 17 58.947 58.947 56.950 1.997 19205 2590 1 16 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.446 -0.923 19205 2591 1 16 . 1 1 17 17 ASP H H 17 9.208 9.208 8.869 0.339 19205 2592 1 16 . 1 1 18 18 SER N N 18 112.259 112.259 112.653 -0.394 19205 2593 1 16 . 1 1 18 18 SER HA H 18 4.228 4.228 4.254 -0.026 19205 2594 1 16 . 1 1 18 18 SER C C 18 175.037 175.037 175.034 0.003 19205 2595 1 16 . 1 1 18 18 SER CA C 18 60.093 60.093 59.579 0.514 19205 2596 1 16 . 1 1 18 18 SER CB C 18 62.134 62.134 62.949 -0.815 19205 2597 1 16 . 1 1 18 18 SER H H 18 8.371 8.371 8.104 0.267 19205 2598 1 16 . 1 1 19 19 ASP N N 19 120.750 120.750 120.452 0.298 19205 2599 1 16 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.646 -0.055 19205 2600 1 16 . 1 1 19 19 ASP C C 19 175.958 175.958 176.219 -0.261 19205 2601 1 16 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.992 0.893 19205 2602 1 16 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.047 0.975 19205 2603 1 16 . 1 1 19 19 ASP H H 19 7.697 7.697 7.688 0.009 19205 2604 1 16 . 1 1 20 20 CYS N N 20 118.125 118.125 116.288 1.837 19205 2605 1 16 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.709 0.268 19205 2606 1 16 . 1 1 20 20 CYS C C 20 174.152 174.152 174.685 -0.533 19205 2607 1 16 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.052 -6.071 19205 2608 1 16 . 1 1 20 20 CYS CB C 20 39.974 39.974 30.034 9.940 19205 2609 1 16 . 1 1 20 20 CYS H H 20 7.947 7.947 7.639 0.308 19205 2610 1 16 . 1 1 21 21 LEU N N 21 121.658 121.658 121.192 0.466 19205 2611 1 16 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.360 -0.193 19205 2612 1 16 . 1 1 21 21 LEU C C 21 176.589 176.589 177.566 -0.977 19205 2613 1 16 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.497 0.389 19205 2614 1 16 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.778 0.145 19205 2615 1 16 . 1 1 21 21 LEU H H 21 8.522 8.522 8.447 0.076 19205 2616 1 16 . 1 1 22 22 ALA N N 22 121.907 121.907 123.085 -1.178 19205 2617 1 16 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.159 -0.087 19205 2618 1 16 . 1 1 22 22 ALA C C 22 178.382 178.382 178.454 -0.072 19205 2619 1 16 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.492 0.473 19205 2620 1 16 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.158 -0.214 19205 2621 1 16 . 1 1 22 22 ALA H H 22 8.104 8.104 8.458 -0.354 19205 2622 1 16 . 1 1 23 23 GLY N N 23 110.790 110.790 111.571 -0.781 19205 2623 1 16 . 1 1 23 23 GLY C C 23 174.553 174.553 174.660 -0.107 19205 2624 1 16 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.806 -0.185 19205 2625 1 16 . 1 1 23 23 GLY H H 23 8.644 8.644 8.660 -0.016 19205 2626 1 16 . 1 1 24 24 CYS N N 24 119.431 119.431 119.883 -0.452 19205 2627 1 16 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.935 -0.085 19205 2628 1 16 . 1 1 24 24 CYS C C 24 172.768 172.768 174.249 -1.481 19205 2629 1 16 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.824 -3.922 19205 2630 1 16 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.646 16.522 19205 2631 1 16 . 1 1 24 24 CYS H H 24 8.491 8.491 7.591 0.900 19205 2632 1 16 . 1 1 25 25 VAL N N 25 115.469 115.469 116.284 -0.815 19205 2633 1 16 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.616 -0.249 19205 2634 1 16 . 1 1 25 25 VAL C C 25 175.161 175.161 173.755 1.406 19205 2635 1 16 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.399 -0.072 19205 2636 1 16 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.433 0.602 19205 2637 1 16 . 1 1 25 25 VAL H H 25 9.324 9.324 9.087 0.237 19205 2638 1 16 . 1 1 26 26 CYS N N 26 123.350 123.350 121.356 1.994 19205 2639 1 16 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.964 -0.154 19205 2640 1 16 . 1 1 26 26 CYS C C 26 174.891 174.891 176.136 -1.245 19205 2641 1 16 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.585 -3.386 19205 2642 1 16 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.734 12.526 19205 2643 1 16 . 1 1 26 26 CYS H H 26 9.346 9.346 8.878 0.468 19205 2644 1 16 . 1 1 27 27 GLY N N 27 117.742 117.742 116.592 1.150 19205 2645 1 16 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.252 1.206 19205 2646 1 16 . 1 1 27 27 GLY H H 27 8.259 8.259 9.051 -0.792 19205 2647 1 16 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.431 -0.061 19205 2648 1 16 . 1 1 28 28 PRO C C 28 176.720 176.720 176.800 -0.080 19205 2649 1 16 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.397 0.089 19205 2650 1 16 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.668 -0.115 19205 2651 1 16 . 1 1 29 29 ASN N N 29 114.300 114.300 116.256 -1.956 19205 2652 1 16 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.671 -0.022 19205 2653 1 16 . 1 1 29 29 ASN C C 29 175.490 175.490 176.348 -0.858 19205 2654 1 16 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.876 -0.541 19205 2655 1 16 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.558 0.008 19205 2656 1 16 . 1 1 29 29 ASN H H 29 8.061 8.061 8.204 -0.143 19205 2657 1 16 . 1 1 30 30 GLY N N 30 107.086 107.086 107.192 -0.106 19205 2658 1 16 . 1 1 30 30 GLY C C 30 173.758 173.758 172.852 0.906 19205 2659 1 16 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.157 1.155 19205 2660 1 16 . 1 1 30 30 GLY H H 30 8.294 8.294 7.968 0.326 19205 2661 1 16 . 1 1 31 31 PHE N N 31 115.129 115.129 118.803 -3.674 19205 2662 1 16 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.320 0.030 19205 2663 1 16 . 1 1 31 31 PHE C C 31 176.773 176.773 175.400 1.373 19205 2664 1 16 . 1 1 31 31 PHE CA C 31 56.410 56.410 55.938 0.472 19205 2665 1 16 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.296 0.178 19205 2666 1 16 . 1 1 31 31 PHE H H 31 7.167 7.167 8.181 -1.014 19205 2667 1 16 . 1 1 32 32 CYS N N 32 123.123 123.123 120.876 2.247 19205 2668 1 16 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.208 -0.109 19205 2669 1 16 . 1 1 32 32 CYS C C 32 175.875 175.875 175.847 0.028 19205 2670 1 16 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.343 -3.913 19205 2671 1 16 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.641 15.446 19205 2672 1 16 . 1 1 32 32 CYS H H 32 8.708 8.708 8.931 -0.223 19205 2673 1 17 . 1 1 2 2 CYS N N 2 120.511 120.511 120.734 -0.223 19205 2674 1 17 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.827 0.046 19205 2675 1 17 . 1 1 2 2 CYS CA C 2 53.145 53.145 55.071 -1.926 19205 2676 1 17 . 1 1 2 2 CYS CB C 2 41.921 41.921 27.137 14.784 19205 2677 1 17 . 1 1 2 2 CYS H H 2 8.866 8.866 8.360 0.506 19205 2678 1 17 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.230 0.068 19205 2679 1 17 . 1 1 3 3 PRO C C 3 176.294 176.294 175.584 0.710 19205 2680 1 17 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.025 0.749 19205 2681 1 17 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.306 1.585 19205 2682 1 17 . 1 1 4 4 GLN N N 4 118.141 118.141 118.716 -0.575 19205 2683 1 17 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.671 -0.777 19205 2684 1 17 . 1 1 4 4 GLN C C 4 176.143 176.143 174.738 1.405 19205 2685 1 17 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.167 1.006 19205 2686 1 17 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.353 -0.785 19205 2687 1 17 . 1 1 4 4 GLN H H 4 7.648 7.648 8.319 -0.671 19205 2688 1 17 . 1 1 5 5 GLY N N 5 108.656 108.656 106.397 2.259 19205 2689 1 17 . 1 1 5 5 GLY C C 5 173.733 173.733 173.663 0.070 19205 2690 1 17 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.312 -0.055 19205 2691 1 17 . 1 1 5 5 GLY H H 5 7.759 7.759 8.001 -0.242 19205 2692 1 17 . 1 1 6 6 ARG N N 6 119.446 119.446 120.381 -0.935 19205 2693 1 17 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.839 -0.450 19205 2694 1 17 . 1 1 6 6 ARG C C 6 176.780 176.780 176.860 -0.080 19205 2695 1 17 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.259 1.279 19205 2696 1 17 . 1 1 6 6 ARG CB C 6 31.543 31.543 32.114 -0.571 19205 2697 1 17 . 1 1 6 6 ARG H H 6 7.865 7.865 8.011 -0.146 19205 2698 1 17 . 1 1 7 7 GLY N N 7 109.318 109.318 109.237 0.081 19205 2699 1 17 . 1 1 7 7 GLY C C 7 174.275 174.275 174.851 -0.576 19205 2700 1 17 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.709 -0.689 19205 2701 1 17 . 1 1 7 7 GLY H H 7 8.529 8.529 8.494 0.035 19205 2702 1 17 . 1 1 8 8 ASP N N 8 121.036 121.036 118.483 2.553 19205 2703 1 17 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.717 -0.162 19205 2704 1 17 . 1 1 8 8 ASP C C 8 175.562 175.562 175.684 -0.122 19205 2705 1 17 . 1 1 8 8 ASP CA C 8 53.748 53.748 54.136 -0.388 19205 2706 1 17 . 1 1 8 8 ASP CB C 8 40.059 40.059 41.277 -1.218 19205 2707 1 17 . 1 1 8 8 ASP H H 8 8.414 8.414 8.634 -0.220 19205 2708 1 17 . 1 1 9 9 TRP N N 9 121.704 121.704 122.248 -0.544 19205 2709 1 17 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.636 -0.143 19205 2710 1 17 . 1 1 9 9 TRP C C 9 175.498 175.498 175.215 0.283 19205 2711 1 17 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.827 1.268 19205 2712 1 17 . 1 1 9 9 TRP CB C 9 29.809 29.809 28.210 1.599 19205 2713 1 17 . 1 1 9 9 TRP H H 9 7.814 7.814 8.111 -0.297 19205 2714 1 17 . 1 1 10 10 ALA N N 10 128.588 128.588 128.330 0.258 19205 2715 1 17 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.432 -0.019 19205 2716 1 17 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.613 -0.343 19205 2717 1 17 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.606 -0.491 19205 2718 1 17 . 1 1 10 10 ALA H H 10 8.163 8.163 7.766 0.397 19205 2719 1 17 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.833 -0.502 19205 2720 1 17 . 1 1 11 11 PRO C C 11 176.753 176.753 176.840 -0.087 19205 2721 1 17 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.197 0.799 19205 2722 1 17 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.313 0.132 19205 2723 1 17 . 1 1 12 12 THR N N 12 119.798 119.798 117.162 2.636 19205 2724 1 17 . 1 1 12 12 THR HA H 12 4.512 4.512 4.646 -0.134 19205 2725 1 17 . 1 1 12 12 THR C C 12 173.572 173.572 174.408 -0.836 19205 2726 1 17 . 1 1 12 12 THR CA C 12 62.099 62.099 62.183 -0.084 19205 2727 1 17 . 1 1 12 12 THR CB C 12 71.060 71.060 70.020 1.040 19205 2728 1 17 . 1 1 12 12 THR H H 12 9.006 9.006 8.487 0.519 19205 2729 1 17 . 1 1 13 13 SER N N 13 123.494 123.494 121.801 1.693 19205 2730 1 17 . 1 1 13 13 SER HA H 13 4.539 4.539 4.387 0.152 19205 2731 1 17 . 1 1 13 13 SER C C 13 172.953 172.953 174.380 -1.427 19205 2732 1 17 . 1 1 13 13 SER CA C 13 58.421 58.421 59.204 -0.783 19205 2733 1 17 . 1 1 13 13 SER CB C 13 63.844 63.844 63.411 0.433 19205 2734 1 17 . 1 1 13 13 SER H H 13 8.805 8.805 8.823 -0.018 19205 2735 1 17 . 1 1 14 14 CYS N N 14 116.548 116.548 122.181 -5.633 19205 2736 1 17 . 1 1 14 14 CYS HA H 14 4.940 4.940 5.145 -0.205 19205 2737 1 17 . 1 1 14 14 CYS C C 14 172.746 172.746 173.751 -1.005 19205 2738 1 17 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.303 -2.497 19205 2739 1 17 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.192 16.413 19205 2740 1 17 . 1 1 14 14 CYS H H 14 8.265 8.265 8.462 -0.197 19205 2741 1 17 . 1 1 15 15 SER N N 15 113.958 113.958 113.942 0.016 19205 2742 1 17 . 1 1 15 15 SER HA H 15 4.531 4.531 4.591 -0.060 19205 2743 1 17 . 1 1 15 15 SER C C 15 173.205 173.205 173.882 -0.677 19205 2744 1 17 . 1 1 15 15 SER CA C 15 58.826 58.826 58.636 0.190 19205 2745 1 17 . 1 1 15 15 SER CB C 15 65.097 65.097 64.814 0.283 19205 2746 1 17 . 1 1 15 15 SER H H 15 9.497 9.497 9.235 0.262 19205 2747 1 17 . 1 1 16 16 GLN N N 16 118.516 118.516 119.428 -0.912 19205 2748 1 17 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.766 -0.022 19205 2749 1 17 . 1 1 16 16 GLN C C 16 176.335 176.335 174.714 1.621 19205 2750 1 17 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.386 -0.445 19205 2751 1 17 . 1 1 16 16 GLN CB C 16 31.323 31.323 30.786 0.537 19205 2752 1 17 . 1 1 16 16 GLN H H 16 8.049 8.049 8.152 -0.103 19205 2753 1 17 . 1 1 17 17 ASP N N 17 124.190 124.190 121.638 2.552 19205 2754 1 17 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.511 -0.402 19205 2755 1 17 . 1 1 17 17 ASP C C 17 178.349 178.349 178.292 0.057 19205 2756 1 17 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.150 1.797 19205 2757 1 17 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.319 -0.796 19205 2758 1 17 . 1 1 17 17 ASP H H 17 9.208 9.208 8.881 0.327 19205 2759 1 17 . 1 1 18 18 SER N N 18 112.259 112.259 112.792 -0.533 19205 2760 1 17 . 1 1 18 18 SER HA H 18 4.228 4.228 4.267 -0.039 19205 2761 1 17 . 1 1 18 18 SER C C 18 175.037 175.037 175.183 -0.146 19205 2762 1 17 . 1 1 18 18 SER CA C 18 60.093 60.093 59.880 0.213 19205 2763 1 17 . 1 1 18 18 SER CB C 18 62.134 62.134 63.045 -0.911 19205 2764 1 17 . 1 1 18 18 SER H H 18 8.371 8.371 8.147 0.224 19205 2765 1 17 . 1 1 19 19 ASP N N 19 120.750 120.750 120.727 0.023 19205 2766 1 17 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.626 -0.035 19205 2767 1 17 . 1 1 19 19 ASP C C 19 175.958 175.958 176.435 -0.477 19205 2768 1 17 . 1 1 19 19 ASP CA C 19 55.885 55.885 55.276 0.609 19205 2769 1 17 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.219 0.803 19205 2770 1 17 . 1 1 19 19 ASP H H 19 7.697 7.697 7.723 -0.026 19205 2771 1 17 . 1 1 20 20 CYS N N 20 118.125 118.125 116.561 1.564 19205 2772 1 17 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.673 0.304 19205 2773 1 17 . 1 1 20 20 CYS C C 20 174.152 174.152 174.747 -0.595 19205 2774 1 17 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.200 -6.219 19205 2775 1 17 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.647 10.327 19205 2776 1 17 . 1 1 20 20 CYS H H 20 7.947 7.947 7.666 0.281 19205 2777 1 17 . 1 1 21 21 LEU N N 21 121.658 121.658 121.236 0.422 19205 2778 1 17 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.363 -0.196 19205 2779 1 17 . 1 1 21 21 LEU C C 21 176.589 176.589 177.526 -0.937 19205 2780 1 17 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.485 0.401 19205 2781 1 17 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.763 0.161 19205 2782 1 17 . 1 1 21 21 LEU H H 21 8.522 8.522 8.384 0.138 19205 2783 1 17 . 1 1 22 22 ALA N N 22 121.907 121.907 122.831 -0.924 19205 2784 1 17 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.200 -0.128 19205 2785 1 17 . 1 1 22 22 ALA C C 22 178.382 178.382 178.533 -0.151 19205 2786 1 17 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.457 0.508 19205 2787 1 17 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.380 -0.436 19205 2788 1 17 . 1 1 22 22 ALA H H 22 8.104 8.104 8.434 -0.330 19205 2789 1 17 . 1 1 23 23 GLY N N 23 110.790 110.790 112.171 -1.381 19205 2790 1 17 . 1 1 23 23 GLY C C 23 174.553 174.553 174.678 -0.125 19205 2791 1 17 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.696 -0.075 19205 2792 1 17 . 1 1 23 23 GLY H H 23 8.644 8.644 8.800 -0.156 19205 2793 1 17 . 1 1 24 24 CYS N N 24 119.431 119.431 119.286 0.145 19205 2794 1 17 . 1 1 24 24 CYS HA H 24 4.850 4.850 5.070 -0.220 19205 2795 1 17 . 1 1 24 24 CYS C C 24 172.768 172.768 173.999 -1.231 19205 2796 1 17 . 1 1 24 24 CYS CA C 24 54.902 54.902 57.936 -3.034 19205 2797 1 17 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.915 16.253 19205 2798 1 17 . 1 1 24 24 CYS H H 24 8.491 8.491 7.703 0.788 19205 2799 1 17 . 1 1 25 25 VAL N N 25 115.469 115.469 116.585 -1.116 19205 2800 1 17 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.666 -0.299 19205 2801 1 17 . 1 1 25 25 VAL C C 25 175.161 175.161 173.771 1.390 19205 2802 1 17 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.871 0.456 19205 2803 1 17 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.401 0.634 19205 2804 1 17 . 1 1 25 25 VAL H H 25 9.324 9.324 9.128 0.196 19205 2805 1 17 . 1 1 26 26 CYS N N 26 123.350 123.350 121.254 2.096 19205 2806 1 17 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.693 0.117 19205 2807 1 17 . 1 1 26 26 CYS C C 26 174.891 174.891 175.798 -0.907 19205 2808 1 17 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.848 -3.649 19205 2809 1 17 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.858 12.402 19205 2810 1 17 . 1 1 26 26 CYS H H 26 9.346 9.346 8.940 0.406 19205 2811 1 17 . 1 1 27 27 GLY N N 27 117.742 117.742 116.615 1.127 19205 2812 1 17 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.022 1.436 19205 2813 1 17 . 1 1 27 27 GLY H H 27 8.259 8.259 8.966 -0.707 19205 2814 1 17 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.448 -0.078 19205 2815 1 17 . 1 1 28 28 PRO C C 28 176.720 176.720 176.812 -0.092 19205 2816 1 17 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.376 0.110 19205 2817 1 17 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.676 -0.123 19205 2818 1 17 . 1 1 29 29 ASN N N 29 114.300 114.300 116.516 -2.216 19205 2819 1 17 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.669 -0.020 19205 2820 1 17 . 1 1 29 29 ASN C C 29 175.490 175.490 176.381 -0.891 19205 2821 1 17 . 1 1 29 29 ASN CA C 29 52.335 52.335 53.024 -0.689 19205 2822 1 17 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.652 -0.086 19205 2823 1 17 . 1 1 29 29 ASN H H 29 8.061 8.061 8.264 -0.203 19205 2824 1 17 . 1 1 30 30 GLY N N 30 107.086 107.086 106.886 0.200 19205 2825 1 17 . 1 1 30 30 GLY C C 30 173.758 173.758 172.808 0.950 19205 2826 1 17 . 1 1 30 30 GLY CA C 30 46.312 46.312 44.939 1.373 19205 2827 1 17 . 1 1 30 30 GLY H H 30 8.294 8.294 7.878 0.416 19205 2828 1 17 . 1 1 31 31 PHE N N 31 115.129 115.129 118.547 -3.418 19205 2829 1 17 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.346 0.004 19205 2830 1 17 . 1 1 31 31 PHE C C 31 176.773 176.773 175.339 1.434 19205 2831 1 17 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.043 0.367 19205 2832 1 17 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.579 -0.105 19205 2833 1 17 . 1 1 31 31 PHE H H 31 7.167 7.167 8.347 -1.180 19205 2834 1 17 . 1 1 32 32 CYS N N 32 123.123 123.123 120.630 2.493 19205 2835 1 17 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.098 0.001 19205 2836 1 17 . 1 1 32 32 CYS C C 32 175.875 175.875 175.824 0.051 19205 2837 1 17 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.414 -3.984 19205 2838 1 17 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.393 15.694 19205 2839 1 17 . 1 1 32 32 CYS H H 32 8.708 8.708 8.970 -0.262 19205 2840 1 18 . 1 1 2 2 CYS N N 2 120.511 120.511 117.972 2.539 19205 2841 1 18 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.855 0.018 19205 2842 1 18 . 1 1 2 2 CYS CA C 2 53.145 53.145 55.112 -1.967 19205 2843 1 18 . 1 1 2 2 CYS CB C 2 41.921 41.921 26.948 14.973 19205 2844 1 18 . 1 1 2 2 CYS H H 2 8.866 8.866 8.630 0.236 19205 2845 1 18 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.180 0.118 19205 2846 1 18 . 1 1 3 3 PRO C C 3 176.294 176.294 175.510 0.784 19205 2847 1 18 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.016 0.758 19205 2848 1 18 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.019 1.872 19205 2849 1 18 . 1 1 4 4 GLN N N 4 118.141 118.141 118.259 -0.118 19205 2850 1 18 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.660 -0.766 19205 2851 1 18 . 1 1 4 4 GLN C C 4 176.143 176.143 174.793 1.350 19205 2852 1 18 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.087 1.086 19205 2853 1 18 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.091 -0.523 19205 2854 1 18 . 1 1 4 4 GLN H H 4 7.648 7.648 8.249 -0.601 19205 2855 1 18 . 1 1 5 5 GLY N N 5 108.656 108.656 106.660 1.996 19205 2856 1 18 . 1 1 5 5 GLY C C 5 173.733 173.733 173.516 0.217 19205 2857 1 18 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.409 -0.152 19205 2858 1 18 . 1 1 5 5 GLY H H 5 7.759 7.759 7.934 -0.175 19205 2859 1 18 . 1 1 6 6 ARG N N 6 119.446 119.446 120.272 -0.826 19205 2860 1 18 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.891 -0.502 19205 2861 1 18 . 1 1 6 6 ARG C C 6 176.780 176.780 177.802 -1.022 19205 2862 1 18 . 1 1 6 6 ARG CA C 6 55.538 55.538 53.647 1.891 19205 2863 1 18 . 1 1 6 6 ARG CB C 6 31.543 31.543 32.035 -0.492 19205 2864 1 18 . 1 1 6 6 ARG H H 6 7.865 7.865 8.347 -0.482 19205 2865 1 18 . 1 1 7 7 GLY N N 7 109.318 109.318 109.848 -0.530 19205 2866 1 18 . 1 1 7 7 GLY C C 7 174.275 174.275 174.824 -0.549 19205 2867 1 18 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.419 -1.399 19205 2868 1 18 . 1 1 7 7 GLY H H 7 8.529 8.529 8.621 -0.092 19205 2869 1 18 . 1 1 8 8 ASP N N 8 121.036 121.036 119.886 1.150 19205 2870 1 18 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.747 -0.192 19205 2871 1 18 . 1 1 8 8 ASP C C 8 175.562 175.562 174.659 0.903 19205 2872 1 18 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.367 0.381 19205 2873 1 18 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.806 -0.747 19205 2874 1 18 . 1 1 8 8 ASP H H 8 8.414 8.414 8.619 -0.205 19205 2875 1 18 . 1 1 9 9 TRP N N 9 121.704 121.704 122.714 -1.010 19205 2876 1 18 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.823 -0.330 19205 2877 1 18 . 1 1 9 9 TRP C C 9 175.498 175.498 174.780 0.718 19205 2878 1 18 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.884 1.210 19205 2879 1 18 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.572 0.237 19205 2880 1 18 . 1 1 9 9 TRP H H 9 7.814 7.814 7.966 -0.152 19205 2881 1 18 . 1 1 10 10 ALA N N 10 128.588 128.588 127.777 0.811 19205 2882 1 18 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.444 -0.031 19205 2883 1 18 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.538 -0.267 19205 2884 1 18 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.630 -0.515 19205 2885 1 18 . 1 1 10 10 ALA H H 10 8.163 8.163 8.250 -0.087 19205 2886 1 18 . 1 1 11 11 PRO HA H 11 4.331 4.331 5.011 -0.680 19205 2887 1 18 . 1 1 11 11 PRO C C 11 176.753 176.753 176.715 0.038 19205 2888 1 18 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.069 0.927 19205 2889 1 18 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.493 -0.048 19205 2890 1 18 . 1 1 12 12 THR N N 12 119.798 119.798 117.427 2.371 19205 2891 1 18 . 1 1 12 12 THR HA H 12 4.512 4.512 4.697 -0.185 19205 2892 1 18 . 1 1 12 12 THR C C 12 173.572 173.572 174.515 -0.943 19205 2893 1 18 . 1 1 12 12 THR CA C 12 62.099 62.099 62.101 -0.002 19205 2894 1 18 . 1 1 12 12 THR CB C 12 71.060 71.060 70.115 0.944 19205 2895 1 18 . 1 1 12 12 THR H H 12 9.006 9.006 8.664 0.342 19205 2896 1 18 . 1 1 13 13 SER N N 13 123.494 123.494 122.167 1.327 19205 2897 1 18 . 1 1 13 13 SER HA H 13 4.539 4.539 4.424 0.115 19205 2898 1 18 . 1 1 13 13 SER C C 13 172.953 172.953 174.541 -1.588 19205 2899 1 18 . 1 1 13 13 SER CA C 13 58.421 58.421 59.874 -1.453 19205 2900 1 18 . 1 1 13 13 SER CB C 13 63.844 63.844 63.527 0.317 19205 2901 1 18 . 1 1 13 13 SER H H 13 8.805 8.805 8.827 -0.022 19205 2902 1 18 . 1 1 14 14 CYS N N 14 116.548 116.548 122.277 -5.729 19205 2903 1 18 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.847 0.093 19205 2904 1 18 . 1 1 14 14 CYS C C 14 172.746 172.746 173.238 -0.492 19205 2905 1 18 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.185 -2.379 19205 2906 1 18 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.138 16.467 19205 2907 1 18 . 1 1 14 14 CYS H H 14 8.265 8.265 8.521 -0.256 19205 2908 1 18 . 1 1 15 15 SER N N 15 113.958 113.958 113.880 0.078 19205 2909 1 18 . 1 1 15 15 SER HA H 15 4.531 4.531 4.614 -0.083 19205 2910 1 18 . 1 1 15 15 SER C C 15 173.205 173.205 173.784 -0.579 19205 2911 1 18 . 1 1 15 15 SER CA C 15 58.826 58.826 58.841 -0.015 19205 2912 1 18 . 1 1 15 15 SER CB C 15 65.097 65.097 65.318 -0.221 19205 2913 1 18 . 1 1 15 15 SER H H 15 9.497 9.497 9.241 0.256 19205 2914 1 18 . 1 1 16 16 GLN N N 16 118.516 118.516 118.892 -0.376 19205 2915 1 18 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.696 0.048 19205 2916 1 18 . 1 1 16 16 GLN C C 16 176.335 176.335 174.592 1.743 19205 2917 1 18 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.544 -0.602 19205 2918 1 18 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.148 0.175 19205 2919 1 18 . 1 1 16 16 GLN H H 16 8.049 8.049 8.036 0.013 19205 2920 1 18 . 1 1 17 17 ASP N N 17 124.190 124.190 121.720 2.470 19205 2921 1 18 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.450 -0.341 19205 2922 1 18 . 1 1 17 17 ASP C C 17 178.349 178.349 177.943 0.406 19205 2923 1 18 . 1 1 17 17 ASP CA C 17 58.947 58.947 56.994 1.953 19205 2924 1 18 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.426 -0.903 19205 2925 1 18 . 1 1 17 17 ASP H H 17 9.208 9.208 8.861 0.347 19205 2926 1 18 . 1 1 18 18 SER N N 18 112.259 112.259 111.664 0.595 19205 2927 1 18 . 1 1 18 18 SER HA H 18 4.228 4.228 4.281 -0.053 19205 2928 1 18 . 1 1 18 18 SER C C 18 175.037 175.037 175.051 -0.014 19205 2929 1 18 . 1 1 18 18 SER CA C 18 60.093 60.093 59.784 0.309 19205 2930 1 18 . 1 1 18 18 SER CB C 18 62.134 62.134 63.115 -0.981 19205 2931 1 18 . 1 1 18 18 SER H H 18 8.371 8.371 8.045 0.326 19205 2932 1 18 . 1 1 19 19 ASP N N 19 120.750 120.750 121.474 -0.724 19205 2933 1 18 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.669 -0.078 19205 2934 1 18 . 1 1 19 19 ASP C C 19 175.958 175.958 176.564 -0.606 19205 2935 1 18 . 1 1 19 19 ASP CA C 19 55.885 55.885 55.154 0.730 19205 2936 1 18 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.170 0.852 19205 2937 1 18 . 1 1 19 19 ASP H H 19 7.697 7.697 7.894 -0.197 19205 2938 1 18 . 1 1 20 20 CYS N N 20 118.125 118.125 116.599 1.526 19205 2939 1 18 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.686 0.291 19205 2940 1 18 . 1 1 20 20 CYS C C 20 174.152 174.152 174.816 -0.664 19205 2941 1 18 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.274 -6.293 19205 2942 1 18 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.663 10.311 19205 2943 1 18 . 1 1 20 20 CYS H H 20 7.947 7.947 7.620 0.327 19205 2944 1 18 . 1 1 21 21 LEU N N 21 121.658 121.658 121.229 0.429 19205 2945 1 18 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.356 -0.189 19205 2946 1 18 . 1 1 21 21 LEU C C 21 176.589 176.589 177.588 -0.999 19205 2947 1 18 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.549 0.337 19205 2948 1 18 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.629 0.294 19205 2949 1 18 . 1 1 21 21 LEU H H 21 8.522 8.522 8.464 0.058 19205 2950 1 18 . 1 1 22 22 ALA N N 22 121.907 121.907 123.033 -1.126 19205 2951 1 18 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.141 -0.069 19205 2952 1 18 . 1 1 22 22 ALA C C 22 178.382 178.382 178.548 -0.166 19205 2953 1 18 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.627 0.338 19205 2954 1 18 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.220 -0.276 19205 2955 1 18 . 1 1 22 22 ALA H H 22 8.104 8.104 8.441 -0.337 19205 2956 1 18 . 1 1 23 23 GLY N N 23 110.790 110.790 111.609 -0.819 19205 2957 1 18 . 1 1 23 23 GLY C C 23 174.553 174.553 174.625 -0.072 19205 2958 1 18 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.858 -0.237 19205 2959 1 18 . 1 1 23 23 GLY H H 23 8.644 8.644 8.636 0.008 19205 2960 1 18 . 1 1 24 24 CYS N N 24 119.431 119.431 119.905 -0.474 19205 2961 1 18 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.727 0.123 19205 2962 1 18 . 1 1 24 24 CYS C C 24 172.768 172.768 174.106 -1.338 19205 2963 1 18 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.784 -3.882 19205 2964 1 18 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.489 16.679 19205 2965 1 18 . 1 1 24 24 CYS H H 24 8.491 8.491 7.620 0.871 19205 2966 1 18 . 1 1 25 25 VAL N N 25 115.469 115.469 117.077 -1.608 19205 2967 1 18 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.621 -0.254 19205 2968 1 18 . 1 1 25 25 VAL C C 25 175.161 175.161 173.927 1.234 19205 2969 1 18 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.258 0.069 19205 2970 1 18 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.392 0.643 19205 2971 1 18 . 1 1 25 25 VAL H H 25 9.324 9.324 9.048 0.276 19205 2972 1 18 . 1 1 26 26 CYS N N 26 123.350 123.350 121.515 1.835 19205 2973 1 18 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.773 0.037 19205 2974 1 18 . 1 1 26 26 CYS C C 26 174.891 174.891 176.062 -1.171 19205 2975 1 18 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.818 -3.619 19205 2976 1 18 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.461 12.799 19205 2977 1 18 . 1 1 26 26 CYS H H 26 9.346 9.346 8.831 0.515 19205 2978 1 18 . 1 1 27 27 GLY N N 27 117.742 117.742 116.747 0.995 19205 2979 1 18 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.161 1.297 19205 2980 1 18 . 1 1 27 27 GLY H H 27 8.259 8.259 8.877 -0.618 19205 2981 1 18 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.434 -0.065 19205 2982 1 18 . 1 1 28 28 PRO C C 28 176.720 176.720 176.750 -0.030 19205 2983 1 18 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.430 0.056 19205 2984 1 18 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.654 -0.101 19205 2985 1 18 . 1 1 29 29 ASN N N 29 114.300 114.300 116.251 -1.951 19205 2986 1 18 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.706 -0.057 19205 2987 1 18 . 1 1 29 29 ASN C C 29 175.490 175.490 176.391 -0.901 19205 2988 1 18 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.812 -0.477 19205 2989 1 18 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.648 -0.082 19205 2990 1 18 . 1 1 29 29 ASN H H 29 8.061 8.061 8.207 -0.146 19205 2991 1 18 . 1 1 30 30 GLY N N 30 107.086 107.086 107.369 -0.283 19205 2992 1 18 . 1 1 30 30 GLY C C 30 173.758 173.758 172.906 0.852 19205 2993 1 18 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.269 1.043 19205 2994 1 18 . 1 1 30 30 GLY H H 30 8.294 8.294 7.967 0.327 19205 2995 1 18 . 1 1 31 31 PHE N N 31 115.129 115.129 118.250 -3.121 19205 2996 1 18 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.395 -0.045 19205 2997 1 18 . 1 1 31 31 PHE C C 31 176.773 176.773 175.455 1.318 19205 2998 1 18 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.002 0.408 19205 2999 1 18 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.586 -0.112 19205 3000 1 18 . 1 1 31 31 PHE H H 31 7.167 7.167 8.214 -1.047 19205 3001 1 18 . 1 1 32 32 CYS N N 32 123.123 123.123 120.851 2.272 19205 3002 1 18 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.137 -0.038 19205 3003 1 18 . 1 1 32 32 CYS C C 32 175.875 175.875 175.853 0.022 19205 3004 1 18 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.390 -3.960 19205 3005 1 18 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.532 15.555 19205 3006 1 18 . 1 1 32 32 CYS H H 32 8.708 8.708 8.883 -0.175 19205 3007 1 19 . 1 1 2 2 CYS N N 2 120.511 120.511 119.466 1.045 19205 3008 1 19 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.976 -0.103 19205 3009 1 19 . 1 1 2 2 CYS CA C 2 53.145 53.145 55.995 -2.850 19205 3010 1 19 . 1 1 2 2 CYS CB C 2 41.921 41.921 30.029 11.892 19205 3011 1 19 . 1 1 2 2 CYS H H 2 8.866 8.866 8.361 0.505 19205 3012 1 19 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.201 0.097 19205 3013 1 19 . 1 1 3 3 PRO C C 3 176.294 176.294 175.589 0.705 19205 3014 1 19 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.086 0.688 19205 3015 1 19 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.244 1.647 19205 3016 1 19 . 1 1 4 4 GLN N N 4 118.141 118.141 117.503 0.638 19205 3017 1 19 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.652 -0.758 19205 3018 1 19 . 1 1 4 4 GLN C C 4 176.143 176.143 175.469 0.674 19205 3019 1 19 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.196 0.977 19205 3020 1 19 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.804 -1.236 19205 3021 1 19 . 1 1 4 4 GLN H H 4 7.648 7.648 8.296 -0.648 19205 3022 1 19 . 1 1 5 5 GLY N N 5 108.656 108.656 106.732 1.924 19205 3023 1 19 . 1 1 5 5 GLY C C 5 173.733 173.733 173.983 -0.250 19205 3024 1 19 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.618 -0.361 19205 3025 1 19 . 1 1 5 5 GLY H H 5 7.759 7.759 7.574 0.185 19205 3026 1 19 . 1 1 6 6 ARG N N 6 119.446 119.446 120.490 -1.044 19205 3027 1 19 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.798 -0.409 19205 3028 1 19 . 1 1 6 6 ARG C C 6 176.780 176.780 177.018 -0.238 19205 3029 1 19 . 1 1 6 6 ARG CA C 6 55.538 55.538 53.733 1.805 19205 3030 1 19 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.529 0.014 19205 3031 1 19 . 1 1 6 6 ARG H H 6 7.865 7.865 7.736 0.129 19205 3032 1 19 . 1 1 7 7 GLY N N 7 109.318 109.318 109.011 0.307 19205 3033 1 19 . 1 1 7 7 GLY C C 7 174.275 174.275 174.935 -0.660 19205 3034 1 19 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.586 -0.565 19205 3035 1 19 . 1 1 7 7 GLY H H 7 8.529 8.529 8.570 -0.041 19205 3036 1 19 . 1 1 8 8 ASP N N 8 121.036 121.036 119.194 1.842 19205 3037 1 19 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.770 -0.215 19205 3038 1 19 . 1 1 8 8 ASP C C 8 175.562 175.562 175.984 -0.422 19205 3039 1 19 . 1 1 8 8 ASP CA C 8 53.748 53.748 54.148 -0.400 19205 3040 1 19 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.845 -0.786 19205 3041 1 19 . 1 1 8 8 ASP H H 8 8.414 8.414 8.568 -0.154 19205 3042 1 19 . 1 1 9 9 TRP N N 9 121.704 121.704 122.344 -0.640 19205 3043 1 19 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.748 -0.255 19205 3044 1 19 . 1 1 9 9 TRP C C 9 175.498 175.498 174.914 0.584 19205 3045 1 19 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.941 1.153 19205 3046 1 19 . 1 1 9 9 TRP CB C 9 29.809 29.809 28.773 1.036 19205 3047 1 19 . 1 1 9 9 TRP H H 9 7.814 7.814 7.387 0.427 19205 3048 1 19 . 1 1 10 10 ALA N N 10 128.588 128.588 128.555 0.033 19205 3049 1 19 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.417 -0.004 19205 3050 1 19 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.654 -0.384 19205 3051 1 19 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.615 -0.500 19205 3052 1 19 . 1 1 10 10 ALA H H 10 8.163 8.163 8.003 0.160 19205 3053 1 19 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.826 -0.495 19205 3054 1 19 . 1 1 11 11 PRO C C 11 176.753 176.753 176.794 -0.041 19205 3055 1 19 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.221 0.775 19205 3056 1 19 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.465 -0.020 19205 3057 1 19 . 1 1 12 12 THR N N 12 119.798 119.798 117.051 2.747 19205 3058 1 19 . 1 1 12 12 THR HA H 12 4.512 4.512 4.761 -0.249 19205 3059 1 19 . 1 1 12 12 THR C C 12 173.572 173.572 174.703 -1.131 19205 3060 1 19 . 1 1 12 12 THR CA C 12 62.099 62.099 61.988 0.111 19205 3061 1 19 . 1 1 12 12 THR CB C 12 71.060 71.060 70.196 0.864 19205 3062 1 19 . 1 1 12 12 THR H H 12 9.006 9.006 8.697 0.309 19205 3063 1 19 . 1 1 13 13 SER N N 13 123.494 123.494 121.967 1.527 19205 3064 1 19 . 1 1 13 13 SER HA H 13 4.539 4.539 4.455 0.084 19205 3065 1 19 . 1 1 13 13 SER C C 13 172.953 172.953 174.484 -1.531 19205 3066 1 19 . 1 1 13 13 SER CA C 13 58.421 58.421 58.342 0.079 19205 3067 1 19 . 1 1 13 13 SER CB C 13 63.844 63.844 63.043 0.801 19205 3068 1 19 . 1 1 13 13 SER H H 13 8.805 8.805 8.766 0.039 19205 3069 1 19 . 1 1 14 14 CYS N N 14 116.548 116.548 120.283 -3.735 19205 3070 1 19 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.797 0.143 19205 3071 1 19 . 1 1 14 14 CYS C C 14 172.746 172.746 173.442 -0.696 19205 3072 1 19 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.752 -2.946 19205 3073 1 19 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.636 15.969 19205 3074 1 19 . 1 1 14 14 CYS H H 14 8.265 8.265 8.472 -0.207 19205 3075 1 19 . 1 1 15 15 SER N N 15 113.958 113.958 113.728 0.230 19205 3076 1 19 . 1 1 15 15 SER HA H 15 4.531 4.531 4.660 -0.129 19205 3077 1 19 . 1 1 15 15 SER C C 15 173.205 173.205 173.688 -0.483 19205 3078 1 19 . 1 1 15 15 SER CA C 15 58.826 58.826 58.465 0.361 19205 3079 1 19 . 1 1 15 15 SER CB C 15 65.097 65.097 65.139 -0.042 19205 3080 1 19 . 1 1 15 15 SER H H 15 9.497 9.497 9.124 0.373 19205 3081 1 19 . 1 1 16 16 GLN N N 16 118.516 118.516 118.799 -0.283 19205 3082 1 19 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.576 0.168 19205 3083 1 19 . 1 1 16 16 GLN C C 16 176.335 176.335 174.695 1.640 19205 3084 1 19 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.501 -0.560 19205 3085 1 19 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.573 -0.250 19205 3086 1 19 . 1 1 16 16 GLN H H 16 8.049 8.049 7.776 0.273 19205 3087 1 19 . 1 1 17 17 ASP N N 17 124.190 124.190 122.258 1.932 19205 3088 1 19 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.426 -0.317 19205 3089 1 19 . 1 1 17 17 ASP C C 17 178.349 178.349 177.941 0.408 19205 3090 1 19 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.023 1.924 19205 3091 1 19 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.175 -0.652 19205 3092 1 19 . 1 1 17 17 ASP H H 17 9.208 9.208 8.749 0.459 19205 3093 1 19 . 1 1 18 18 SER N N 18 112.259 112.259 112.183 0.076 19205 3094 1 19 . 1 1 18 18 SER HA H 18 4.228 4.228 4.293 -0.065 19205 3095 1 19 . 1 1 18 18 SER C C 18 175.037 175.037 174.997 0.040 19205 3096 1 19 . 1 1 18 18 SER CA C 18 60.093 60.093 59.711 0.382 19205 3097 1 19 . 1 1 18 18 SER CB C 18 62.134 62.134 62.933 -0.799 19205 3098 1 19 . 1 1 18 18 SER H H 18 8.371 8.371 8.175 0.196 19205 3099 1 19 . 1 1 19 19 ASP N N 19 120.750 120.750 120.551 0.199 19205 3100 1 19 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.680 -0.089 19205 3101 1 19 . 1 1 19 19 ASP C C 19 175.958 175.958 176.250 -0.292 19205 3102 1 19 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.743 1.142 19205 3103 1 19 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.054 0.968 19205 3104 1 19 . 1 1 19 19 ASP H H 19 7.697 7.697 7.731 -0.034 19205 3105 1 19 . 1 1 20 20 CYS N N 20 118.125 118.125 116.604 1.521 19205 3106 1 19 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.710 0.267 19205 3107 1 19 . 1 1 20 20 CYS C C 20 174.152 174.152 174.889 -0.737 19205 3108 1 19 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.143 -6.162 19205 3109 1 19 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.965 10.009 19205 3110 1 19 . 1 1 20 20 CYS H H 20 7.947 7.947 7.635 0.312 19205 3111 1 19 . 1 1 21 21 LEU N N 21 121.658 121.658 121.580 0.078 19205 3112 1 19 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.337 -0.170 19205 3113 1 19 . 1 1 21 21 LEU C C 21 176.589 176.589 177.509 -0.920 19205 3114 1 19 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.579 0.307 19205 3115 1 19 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.588 0.335 19205 3116 1 19 . 1 1 21 21 LEU H H 21 8.522 8.522 8.418 0.104 19205 3117 1 19 . 1 1 22 22 ALA N N 22 121.907 121.907 123.006 -1.099 19205 3118 1 19 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.161 -0.089 19205 3119 1 19 . 1 1 22 22 ALA C C 22 178.382 178.382 178.499 -0.117 19205 3120 1 19 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.489 0.476 19205 3121 1 19 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.247 -0.303 19205 3122 1 19 . 1 1 22 22 ALA H H 22 8.104 8.104 8.433 -0.329 19205 3123 1 19 . 1 1 23 23 GLY N N 23 110.790 110.790 112.428 -1.638 19205 3124 1 19 . 1 1 23 23 GLY C C 23 174.553 174.553 174.850 -0.297 19205 3125 1 19 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.725 -0.104 19205 3126 1 19 . 1 1 23 23 GLY H H 23 8.644 8.644 8.791 -0.147 19205 3127 1 19 . 1 1 24 24 CYS N N 24 119.431 119.431 119.611 -0.180 19205 3128 1 19 . 1 1 24 24 CYS HA H 24 4.850 4.850 5.012 -0.162 19205 3129 1 19 . 1 1 24 24 CYS C C 24 172.768 172.768 174.547 -1.779 19205 3130 1 19 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.423 -3.521 19205 3131 1 19 . 1 1 24 24 CYS CB C 24 46.168 46.168 28.940 17.228 19205 3132 1 19 . 1 1 24 24 CYS H H 24 8.491 8.491 7.754 0.737 19205 3133 1 19 . 1 1 25 25 VAL N N 25 115.469 115.469 116.604 -1.135 19205 3134 1 19 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.582 -0.215 19205 3135 1 19 . 1 1 25 25 VAL C C 25 175.161 175.161 173.783 1.378 19205 3136 1 19 . 1 1 25 25 VAL CA C 25 59.327 59.327 58.789 0.538 19205 3137 1 19 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.199 0.836 19205 3138 1 19 . 1 1 25 25 VAL H H 25 9.324 9.324 9.013 0.311 19205 3139 1 19 . 1 1 26 26 CYS N N 26 123.350 123.350 120.308 3.042 19205 3140 1 19 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.905 -0.095 19205 3141 1 19 . 1 1 26 26 CYS C C 26 174.891 174.891 175.807 -0.916 19205 3142 1 19 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.527 -3.328 19205 3143 1 19 . 1 1 26 26 CYS CB C 26 38.260 38.260 26.270 11.991 19205 3144 1 19 . 1 1 26 26 CYS H H 26 9.346 9.346 8.852 0.494 19205 3145 1 19 . 1 1 27 27 GLY N N 27 117.742 117.742 116.225 1.517 19205 3146 1 19 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.043 1.415 19205 3147 1 19 . 1 1 27 27 GLY H H 27 8.259 8.259 9.089 -0.830 19205 3148 1 19 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.469 -0.099 19205 3149 1 19 . 1 1 28 28 PRO C C 28 176.720 176.720 176.689 0.031 19205 3150 1 19 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.353 0.133 19205 3151 1 19 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.635 -0.082 19205 3152 1 19 . 1 1 29 29 ASN N N 29 114.300 114.300 116.369 -2.069 19205 3153 1 19 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.699 -0.050 19205 3154 1 19 . 1 1 29 29 ASN C C 29 175.490 175.490 176.402 -0.912 19205 3155 1 19 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.873 -0.538 19205 3156 1 19 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.658 -0.092 19205 3157 1 19 . 1 1 29 29 ASN H H 29 8.061 8.061 8.193 -0.132 19205 3158 1 19 . 1 1 30 30 GLY N N 30 107.086 107.086 107.157 -0.071 19205 3159 1 19 . 1 1 30 30 GLY C C 30 173.758 173.758 172.911 0.847 19205 3160 1 19 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.150 1.162 19205 3161 1 19 . 1 1 30 30 GLY H H 30 8.294 8.294 7.951 0.343 19205 3162 1 19 . 1 1 31 31 PHE N N 31 115.129 115.129 118.408 -3.279 19205 3163 1 19 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.387 -0.037 19205 3164 1 19 . 1 1 31 31 PHE C C 31 176.773 176.773 175.385 1.388 19205 3165 1 19 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.067 0.343 19205 3166 1 19 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.601 -0.127 19205 3167 1 19 . 1 1 31 31 PHE H H 31 7.167 7.167 8.264 -1.097 19205 3168 1 19 . 1 1 32 32 CYS N N 32 123.123 123.123 120.735 2.388 19205 3169 1 19 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.247 -0.148 19205 3170 1 19 . 1 1 32 32 CYS C C 32 175.875 175.875 176.060 -0.185 19205 3171 1 19 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.347 -3.917 19205 3172 1 19 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.673 15.414 19205 3173 1 19 . 1 1 32 32 CYS H H 32 8.708 8.708 8.813 -0.105 19205 3174 1 20 . 1 1 2 2 CYS N N 2 120.511 120.511 117.452 3.059 19205 3175 1 20 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.998 -0.125 19205 3176 1 20 . 1 1 2 2 CYS CA C 2 53.145 53.145 57.055 -3.910 19205 3177 1 20 . 1 1 2 2 CYS CB C 2 41.921 41.921 28.811 13.110 19205 3178 1 20 . 1 1 2 2 CYS H H 2 8.866 8.866 8.158 0.708 19205 3179 1 20 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.232 0.066 19205 3180 1 20 . 1 1 3 3 PRO C C 3 176.294 176.294 175.825 0.469 19205 3181 1 20 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.416 0.358 19205 3182 1 20 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.389 1.502 19205 3183 1 20 . 1 1 4 4 GLN N N 4 118.141 118.141 117.380 0.761 19205 3184 1 20 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.643 -0.749 19205 3185 1 20 . 1 1 4 4 GLN C C 4 176.143 176.143 175.309 0.834 19205 3186 1 20 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.507 0.666 19205 3187 1 20 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.909 -1.341 19205 3188 1 20 . 1 1 4 4 GLN H H 4 7.648 7.648 8.355 -0.707 19205 3189 1 20 . 1 1 5 5 GLY N N 5 108.656 108.656 107.253 1.403 19205 3190 1 20 . 1 1 5 5 GLY C C 5 173.733 173.733 174.119 -0.386 19205 3191 1 20 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.406 -0.149 19205 3192 1 20 . 1 1 5 5 GLY H H 5 7.759 7.759 7.573 0.186 19205 3193 1 20 . 1 1 6 6 ARG N N 6 119.446 119.446 120.561 -1.115 19205 3194 1 20 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.611 -0.222 19205 3195 1 20 . 1 1 6 6 ARG C C 6 176.780 176.780 178.117 -1.337 19205 3196 1 20 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.296 1.242 19205 3197 1 20 . 1 1 6 6 ARG CB C 6 31.543 31.543 30.983 0.560 19205 3198 1 20 . 1 1 6 6 ARG H H 6 7.865 7.865 7.643 0.222 19205 3199 1 20 . 1 1 7 7 GLY N N 7 109.318 109.318 110.389 -1.071 19205 3200 1 20 . 1 1 7 7 GLY C C 7 174.275 174.275 174.751 -0.476 19205 3201 1 20 . 1 1 7 7 GLY CA C 7 46.020 46.020 47.194 -1.174 19205 3202 1 20 . 1 1 7 7 GLY H H 7 8.529 8.529 8.823 -0.294 19205 3203 1 20 . 1 1 8 8 ASP N N 8 121.036 121.036 119.440 1.596 19205 3204 1 20 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.743 -0.188 19205 3205 1 20 . 1 1 8 8 ASP C C 8 175.562 175.562 175.753 -0.191 19205 3206 1 20 . 1 1 8 8 ASP CA C 8 53.748 53.748 54.127 -0.379 19205 3207 1 20 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.504 -0.445 19205 3208 1 20 . 1 1 8 8 ASP H H 8 8.414 8.414 8.558 -0.144 19205 3209 1 20 . 1 1 9 9 TRP N N 9 121.704 121.704 122.772 -1.068 19205 3210 1 20 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.773 -0.280 19205 3211 1 20 . 1 1 9 9 TRP C C 9 175.498 175.498 174.713 0.785 19205 3212 1 20 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.846 1.248 19205 3213 1 20 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.326 0.483 19205 3214 1 20 . 1 1 9 9 TRP H H 9 7.814 7.814 8.133 -0.319 19205 3215 1 20 . 1 1 10 10 ALA N N 10 128.588 128.588 128.280 0.308 19205 3216 1 20 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.404 0.009 19205 3217 1 20 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.703 -0.433 19205 3218 1 20 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.439 -0.324 19205 3219 1 20 . 1 1 10 10 ALA H H 10 8.163 8.163 8.053 0.110 19205 3220 1 20 . 1 1 11 11 PRO HA H 11 4.331 4.331 5.015 -0.684 19205 3221 1 20 . 1 1 11 11 PRO C C 11 176.753 176.753 176.722 0.031 19205 3222 1 20 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.024 0.972 19205 3223 1 20 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.512 -0.067 19205 3224 1 20 . 1 1 12 12 THR N N 12 119.798 119.798 116.821 2.977 19205 3225 1 20 . 1 1 12 12 THR HA H 12 4.512 4.512 4.816 -0.304 19205 3226 1 20 . 1 1 12 12 THR C C 12 173.572 173.572 174.648 -1.076 19205 3227 1 20 . 1 1 12 12 THR CA C 12 62.099 62.099 61.863 0.236 19205 3228 1 20 . 1 1 12 12 THR CB C 12 71.060 71.060 70.546 0.514 19205 3229 1 20 . 1 1 12 12 THR H H 12 9.006 9.006 8.517 0.489 19205 3230 1 20 . 1 1 13 13 SER N N 13 123.494 123.494 121.500 1.994 19205 3231 1 20 . 1 1 13 13 SER HA H 13 4.539 4.539 4.550 -0.011 19205 3232 1 20 . 1 1 13 13 SER C C 13 172.953 172.953 174.498 -1.545 19205 3233 1 20 . 1 1 13 13 SER CA C 13 58.421 58.421 58.282 0.139 19205 3234 1 20 . 1 1 13 13 SER CB C 13 63.844 63.844 63.227 0.617 19205 3235 1 20 . 1 1 13 13 SER H H 13 8.805 8.805 8.754 0.051 19205 3236 1 20 . 1 1 14 14 CYS N N 14 116.548 116.548 119.843 -3.295 19205 3237 1 20 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.994 -0.054 19205 3238 1 20 . 1 1 14 14 CYS C C 14 172.746 172.746 173.437 -0.691 19205 3239 1 20 . 1 1 14 14 CYS CA C 14 53.806 53.806 57.065 -3.259 19205 3240 1 20 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.399 16.206 19205 3241 1 20 . 1 1 14 14 CYS H H 14 8.265 8.265 8.142 0.123 19205 3242 1 20 . 1 1 15 15 SER N N 15 113.958 113.958 114.341 -0.383 19205 3243 1 20 . 1 1 15 15 SER HA H 15 4.531 4.531 4.613 -0.082 19205 3244 1 20 . 1 1 15 15 SER C C 15 173.205 173.205 173.712 -0.507 19205 3245 1 20 . 1 1 15 15 SER CA C 15 58.826 58.826 58.460 0.366 19205 3246 1 20 . 1 1 15 15 SER CB C 15 65.097 65.097 64.711 0.386 19205 3247 1 20 . 1 1 15 15 SER H H 15 9.497 9.497 8.933 0.564 19205 3248 1 20 . 1 1 16 16 GLN N N 16 118.516 118.516 119.097 -0.581 19205 3249 1 20 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.700 0.044 19205 3250 1 20 . 1 1 16 16 GLN C C 16 176.335 176.335 174.588 1.747 19205 3251 1 20 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.668 -0.727 19205 3252 1 20 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.009 0.314 19205 3253 1 20 . 1 1 16 16 GLN H H 16 8.049 8.049 7.692 0.357 19205 3254 1 20 . 1 1 17 17 ASP N N 17 124.190 124.190 122.126 2.064 19205 3255 1 20 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.419 -0.310 19205 3256 1 20 . 1 1 17 17 ASP C C 17 178.349 178.349 178.315 0.034 19205 3257 1 20 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.036 1.911 19205 3258 1 20 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.451 -0.928 19205 3259 1 20 . 1 1 17 17 ASP H H 17 9.208 9.208 8.874 0.334 19205 3260 1 20 . 1 1 18 18 SER N N 18 112.259 112.259 112.960 -0.701 19205 3261 1 20 . 1 1 18 18 SER HA H 18 4.228 4.228 4.235 -0.007 19205 3262 1 20 . 1 1 18 18 SER C C 18 175.037 175.037 175.080 -0.043 19205 3263 1 20 . 1 1 18 18 SER CA C 18 60.093 60.093 59.807 0.286 19205 3264 1 20 . 1 1 18 18 SER CB C 18 62.134 62.134 62.966 -0.832 19205 3265 1 20 . 1 1 18 18 SER H H 18 8.371 8.371 8.146 0.225 19205 3266 1 20 . 1 1 19 19 ASP N N 19 120.750 120.750 120.321 0.429 19205 3267 1 20 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.663 -0.072 19205 3268 1 20 . 1 1 19 19 ASP C C 19 175.958 175.958 176.266 -0.308 19205 3269 1 20 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.879 1.006 19205 3270 1 20 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.014 1.008 19205 3271 1 20 . 1 1 19 19 ASP H H 19 7.697 7.697 7.713 -0.016 19205 3272 1 20 . 1 1 20 20 CYS N N 20 118.125 118.125 116.426 1.699 19205 3273 1 20 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.705 0.273 19205 3274 1 20 . 1 1 20 20 CYS C C 20 174.152 174.152 174.720 -0.568 19205 3275 1 20 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.280 -6.299 19205 3276 1 20 . 1 1 20 20 CYS CB C 20 39.974 39.974 30.039 9.935 19205 3277 1 20 . 1 1 20 20 CYS H H 20 7.947 7.947 7.662 0.285 19205 3278 1 20 . 1 1 21 21 LEU N N 21 121.658 121.658 120.811 0.847 19205 3279 1 20 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.430 -0.263 19205 3280 1 20 . 1 1 21 21 LEU C C 21 176.589 176.589 177.380 -0.791 19205 3281 1 20 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.322 0.564 19205 3282 1 20 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.962 -0.038 19205 3283 1 20 . 1 1 21 21 LEU H H 21 8.522 8.522 8.547 -0.025 19205 3284 1 20 . 1 1 22 22 ALA N N 22 121.907 121.907 122.880 -0.973 19205 3285 1 20 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.214 -0.142 19205 3286 1 20 . 1 1 22 22 ALA C C 22 178.382 178.382 178.515 -0.133 19205 3287 1 20 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.295 0.670 19205 3288 1 20 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.473 -0.529 19205 3289 1 20 . 1 1 22 22 ALA H H 22 8.104 8.104 8.421 -0.317 19205 3290 1 20 . 1 1 23 23 GLY N N 23 110.790 110.790 111.680 -0.890 19205 3291 1 20 . 1 1 23 23 GLY C C 23 174.553 174.553 174.316 0.237 19205 3292 1 20 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.846 -0.225 19205 3293 1 20 . 1 1 23 23 GLY H H 23 8.644 8.644 8.805 -0.161 19205 3294 1 20 . 1 1 24 24 CYS N N 24 119.431 119.431 118.180 1.251 19205 3295 1 20 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.865 -0.015 19205 3296 1 20 . 1 1 24 24 CYS C C 24 172.768 172.768 173.507 -0.739 19205 3297 1 20 . 1 1 24 24 CYS CA C 24 54.902 54.902 57.850 -2.948 19205 3298 1 20 . 1 1 24 24 CYS CB C 24 46.168 46.168 30.246 15.922 19205 3299 1 20 . 1 1 24 24 CYS H H 24 8.491 8.491 7.606 0.885 19205 3300 1 20 . 1 1 25 25 VAL N N 25 115.469 115.469 116.764 -1.295 19205 3301 1 20 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.632 -0.265 19205 3302 1 20 . 1 1 25 25 VAL C C 25 175.161 175.161 173.818 1.343 19205 3303 1 20 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.362 -0.035 19205 3304 1 20 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.449 0.586 19205 3305 1 20 . 1 1 25 25 VAL H H 25 9.324 9.324 9.152 0.173 19205 3306 1 20 . 1 1 26 26 CYS N N 26 123.350 123.350 121.691 1.659 19205 3307 1 20 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.782 0.028 19205 3308 1 20 . 1 1 26 26 CYS C C 26 174.891 174.891 176.002 -1.111 19205 3309 1 20 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.855 -3.656 19205 3310 1 20 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.352 12.908 19205 3311 1 20 . 1 1 26 26 CYS H H 26 9.346 9.346 8.846 0.500 19205 3312 1 20 . 1 1 27 27 GLY N N 27 117.742 117.742 116.869 0.873 19205 3313 1 20 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.026 1.432 19205 3314 1 20 . 1 1 27 27 GLY H H 27 8.259 8.259 8.871 -0.612 19205 3315 1 20 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.404 -0.034 19205 3316 1 20 . 1 1 28 28 PRO C C 28 176.720 176.720 177.173 -0.453 19205 3317 1 20 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.390 0.096 19205 3318 1 20 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.720 -0.167 19205 3319 1 20 . 1 1 29 29 ASN N N 29 114.300 114.300 117.311 -3.011 19205 3320 1 20 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.691 -0.042 19205 3321 1 20 . 1 1 29 29 ASN C C 29 175.490 175.490 176.421 -0.931 19205 3322 1 20 . 1 1 29 29 ASN CA C 29 52.335 52.335 53.061 -0.726 19205 3323 1 20 . 1 1 29 29 ASN CB C 29 37.566 37.566 38.727 -1.161 19205 3324 1 20 . 1 1 29 29 ASN H H 29 8.061 8.061 8.252 -0.191 19205 3325 1 20 . 1 1 30 30 GLY N N 30 107.086 107.086 105.712 1.374 19205 3326 1 20 . 1 1 30 30 GLY C C 30 173.758 173.758 173.193 0.565 19205 3327 1 20 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.197 1.115 19205 3328 1 20 . 1 1 30 30 GLY H H 30 8.294 8.294 8.024 0.270 19205 3329 1 20 . 1 1 31 31 PHE N N 31 115.129 115.129 118.167 -3.038 19205 3330 1 20 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.251 0.099 19205 3331 1 20 . 1 1 31 31 PHE C C 31 176.773 176.773 175.180 1.593 19205 3332 1 20 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.089 0.321 19205 3333 1 20 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.579 -0.105 19205 3334 1 20 . 1 1 31 31 PHE H H 31 7.167 7.167 7.417 -0.250 19205 3335 1 20 . 1 1 32 32 CYS N N 32 123.123 123.123 120.562 2.561 19205 3336 1 20 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.008 0.091 19205 3337 1 20 . 1 1 32 32 CYS C C 32 175.875 175.875 175.844 0.031 19205 3338 1 20 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.442 -4.012 19205 3339 1 20 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.600 15.487 19205 3340 1 20 . 1 1 32 32 CYS H H 32 8.708 8.708 8.969 -0.261 19205 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 28 1.579 -0.035 1.607 19205 2 1 1 "Average Difference" HA 36 0.275 0.085 0.266 19205 3 1 1 "Average Difference" C 28 0.944 0.121 0.954 19205 4 1 1 "Average Difference" CA 31 1.828 0.430 1.806 19205 5 1 1 "Average Difference" CB 26 6.952 -3.345 6.214 19205 6 1 1 "Average Difference" HN 28 0.392 -0.009 0.400 19205 7 1 2 "Average Difference" N 28 1.633 -0.322 1.630 19205 8 1 2 "Average Difference" HA 36 0.270 0.098 0.255 19205 9 1 2 "Average Difference" C 28 0.851 0.099 0.861 19205 10 1 2 "Average Difference" CA 31 2.010 0.439 1.994 19205 11 1 2 "Average Difference" CB 26 6.745 -3.299 6.000 19205 12 1 2 "Average Difference" HN 28 0.422 -0.031 0.429 19205 13 1 3 "Average Difference" N 28 1.543 -0.202 1.558 19205 14 1 3 "Average Difference" HA 36 0.274 0.076 0.267 19205 15 1 3 "Average Difference" C 28 0.864 0.075 0.877 19205 16 1 3 "Average Difference" CA 31 1.887 0.409 1.872 19205 17 1 3 "Average Difference" CB 26 6.941 -3.275 6.241 19205 18 1 3 "Average Difference" HN 28 0.387 -0.038 0.392 19205 19 1 4 "Average Difference" N 28 1.580 -0.138 1.603 19205 20 1 4 "Average Difference" HA 36 0.282 0.090 0.271 19205 21 1 4 "Average Difference" C 28 0.858 0.073 0.871 19205 22 1 4 "Average Difference" CA 31 1.888 0.420 1.871 19205 23 1 4 "Average Difference" CB 26 7.038 -3.356 6.308 19205 24 1 4 "Average Difference" HN 28 0.426 0.005 0.434 19205 25 1 5 "Average Difference" N 28 1.751 -0.257 1.764 19205 26 1 5 "Average Difference" HA 36 0.288 0.090 0.278 19205 27 1 5 "Average Difference" C 28 0.850 0.098 0.860 19205 28 1 5 "Average Difference" CA 31 1.914 0.457 1.889 19205 29 1 5 "Average Difference" CB 26 6.799 -3.219 6.107 19205 30 1 5 "Average Difference" HN 28 0.412 -0.041 0.418 19205 31 1 6 "Average Difference" N 28 1.797 -0.272 1.809 19205 32 1 6 "Average Difference" HA 36 0.266 0.072 0.260 19205 33 1 6 "Average Difference" C 28 0.869 0.074 0.881 19205 34 1 6 "Average Difference" CA 31 1.891 0.430 1.872 19205 35 1 6 "Average Difference" CB 26 7.083 -3.371 6.353 19205 36 1 6 "Average Difference" HN 28 0.415 0.021 0.422 19205 37 1 7 "Average Difference" N 28 1.985 -0.346 1.991 19205 38 1 7 "Average Difference" HA 36 0.278 0.095 0.264 19205 39 1 7 "Average Difference" C 28 0.818 0.124 0.824 19205 40 1 7 "Average Difference" CA 31 1.893 0.445 1.870 19205 41 1 7 "Average Difference" CB 26 6.769 -3.274 6.042 19205 42 1 7 "Average Difference" HN 28 0.405 -0.043 0.410 19205 43 1 8 "Average Difference" N 28 1.753 -0.068 1.784 19205 44 1 8 "Average Difference" HA 36 0.276 0.085 0.266 19205 45 1 8 "Average Difference" C 28 0.873 0.144 0.877 19205 46 1 8 "Average Difference" CA 31 2.000 0.501 1.968 19205 47 1 8 "Average Difference" CB 26 6.870 -3.302 6.144 19205 48 1 8 "Average Difference" HN 28 0.436 -0.057 0.440 19205 49 1 9 "Average Difference" N 28 1.596 -0.110 1.621 19205 50 1 9 "Average Difference" HA 36 0.286 0.070 0.281 19205 51 1 9 "Average Difference" C 28 0.895 0.175 0.894 19205 52 1 9 "Average Difference" CA 31 1.943 0.488 1.912 19205 53 1 9 "Average Difference" CB 26 6.830 -3.273 6.113 19205 54 1 9 "Average Difference" HN 28 0.414 -0.043 0.420 19205 55 1 10 "Average Difference" N 28 1.882 -0.070 1.915 19205 56 1 10 "Average Difference" HA 36 0.301 0.074 0.295 19205 57 1 10 "Average Difference" C 28 0.930 0.097 0.942 19205 58 1 10 "Average Difference" CA 31 2.005 0.454 1.985 19205 59 1 10 "Average Difference" CB 26 6.902 -3.280 6.194 19205 60 1 10 "Average Difference" HN 28 0.404 -0.044 0.409 19205 61 1 11 "Average Difference" N 28 1.628 -0.178 1.648 19205 62 1 11 "Average Difference" HA 36 0.267 0.067 0.262 19205 63 1 11 "Average Difference" C 28 0.910 0.107 0.920 19205 64 1 11 "Average Difference" CA 31 1.976 0.492 1.946 19205 65 1 11 "Average Difference" CB 26 6.782 -3.202 6.097 19205 66 1 11 "Average Difference" HN 28 0.414 0.003 0.421 19205 67 1 12 "Average Difference" N 28 1.642 -0.185 1.661 19205 68 1 12 "Average Difference" HA 36 0.277 0.098 0.262 19205 69 1 12 "Average Difference" C 28 0.862 0.102 0.872 19205 70 1 12 "Average Difference" CA 31 1.972 0.431 1.956 19205 71 1 12 "Average Difference" CB 26 6.825 -3.298 6.094 19205 72 1 12 "Average Difference" HN 28 0.414 -0.032 0.420 19205 73 1 13 "Average Difference" N 28 1.805 -0.208 1.826 19205 74 1 13 "Average Difference" HA 36 0.274 0.083 0.265 19205 75 1 13 "Average Difference" C 28 0.850 0.085 0.861 19205 76 1 13 "Average Difference" CA 31 1.946 0.465 1.921 19205 77 1 13 "Average Difference" CB 26 6.857 -3.174 6.199 19205 78 1 13 "Average Difference" HN 28 0.453 -0.019 0.461 19205 79 1 14 "Average Difference" N 28 1.710 -0.133 1.737 19205 80 1 14 "Average Difference" HA 36 0.272 0.074 0.265 19205 81 1 14 "Average Difference" C 28 0.871 0.078 0.883 19205 82 1 14 "Average Difference" CA 31 1.815 0.479 1.780 19205 83 1 14 "Average Difference" CB 26 6.919 -3.186 6.263 19205 84 1 14 "Average Difference" HN 28 0.395 0.046 0.399 19205 85 1 15 "Average Difference" N 28 1.604 -0.036 1.633 19205 86 1 15 "Average Difference" HA 36 0.281 0.078 0.274 19205 87 1 15 "Average Difference" C 28 0.859 0.107 0.868 19205 88 1 15 "Average Difference" CA 31 1.898 0.486 1.865 19205 89 1 15 "Average Difference" CB 26 7.024 -3.368 6.287 19205 90 1 15 "Average Difference" HN 28 0.401 -0.051 0.405 19205 91 1 16 "Average Difference" N 28 1.923 -0.132 1.953 19205 92 1 16 "Average Difference" HA 36 0.270 0.074 0.264 19205 93 1 16 "Average Difference" C 28 0.866 -0.012 0.882 19205 94 1 16 "Average Difference" CA 31 1.893 0.502 1.856 19205 95 1 16 "Average Difference" CB 26 6.925 -3.249 6.236 19205 96 1 16 "Average Difference" HN 28 0.457 -0.004 0.465 19205 97 1 17 "Average Difference" N 28 1.867 -0.061 1.900 19205 98 1 17 "Average Difference" HA 36 0.264 0.082 0.255 19205 99 1 17 "Average Difference" C 28 0.830 0.085 0.841 19205 100 1 17 "Average Difference" CA 31 1.822 0.397 1.808 19205 101 1 17 "Average Difference" CB 26 6.992 -3.368 6.249 19205 102 1 17 "Average Difference" HN 28 0.416 0.009 0.424 19205 103 1 18 "Average Difference" N 28 1.814 -0.061 1.846 19205 104 1 18 "Average Difference" HA 36 0.281 0.070 0.276 19205 105 1 18 "Average Difference" C 28 0.889 0.055 0.904 19205 106 1 18 "Average Difference" CA 31 1.911 0.449 1.888 19205 107 1 18 "Average Difference" CB 26 7.057 -3.351 6.334 19205 108 1 18 "Average Difference" HN 28 0.389 0.025 0.395 19205 109 1 19 "Average Difference" N 28 1.666 -0.210 1.683 19205 110 1 19 "Average Difference" HA 36 0.264 0.096 0.249 19205 111 1 19 "Average Difference" C 28 0.850 0.140 0.854 19205 112 1 19 "Average Difference" CA 31 1.892 0.383 1.884 19205 113 1 19 "Average Difference" CB 26 6.752 -3.235 6.044 19205 114 1 19 "Average Difference" HN 28 0.411 -0.058 0.414 19205 115 1 20 "Average Difference" N 28 1.753 -0.265 1.764 19205 116 1 20 "Average Difference" HA 36 0.277 0.088 0.266 19205 117 1 20 "Average Difference" C 28 0.839 0.129 0.844 19205 118 1 20 "Average Difference" CA 31 1.970 0.494 1.939 19205 119 1 20 "Average Difference" CB 26 6.804 -3.215 6.115 19205 120 1 20 "Average Difference" HN 28 0.381 -0.078 0.379 19205 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 19205 _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 CYS N N 2 120.511 120.511 118.027 2.484 19205 2 1 . 1 1 2 2 CYS HA H 2 4.873 4.873 4.924 -0.051 19205 3 1 . 1 1 2 2 CYS CA C 2 53.145 53.145 56.074 -2.929 19205 4 1 . 1 1 2 2 CYS CB C 2 41.921 41.921 28.239 13.682 19205 5 1 . 1 1 2 2 CYS H H 2 8.866 8.866 8.408 0.458 19205 6 1 . 1 1 3 3 PRO HA H 3 4.298 4.298 4.218 0.080 19205 7 1 . 1 1 3 3 PRO C C 3 176.294 176.294 175.659 0.635 19205 8 1 . 1 1 3 3 PRO CA C 3 63.774 63.774 63.211 0.563 19205 9 1 . 1 1 3 3 PRO CB C 3 31.891 31.891 30.325 1.566 19205 10 1 . 1 1 4 4 GLN N N 4 118.141 118.141 117.785 0.356 19205 11 1 . 1 1 4 4 GLN HA H 4 3.894 3.894 4.658 -0.764 19205 12 1 . 1 1 4 4 GLN C C 4 176.143 176.143 175.240 0.903 19205 13 1 . 1 1 4 4 GLN CA C 4 56.173 56.173 55.283 0.890 19205 14 1 . 1 1 4 4 GLN CB C 4 29.568 29.568 30.670 -1.102 19205 15 1 . 1 1 4 4 GLN H H 4 7.648 7.648 8.233 -0.585 19205 16 1 . 1 1 5 5 GLY N N 5 108.656 108.656 106.949 1.707 19205 17 1 . 1 1 5 5 GLY C C 5 173.733 173.733 173.729 0.004 19205 18 1 . 1 1 5 5 GLY CA C 5 45.257 45.257 45.523 -0.266 19205 19 1 . 1 1 5 5 GLY H H 5 7.759 7.759 7.754 0.005 19205 20 1 . 1 1 6 6 ARG N N 6 119.446 119.446 120.410 -0.964 19205 21 1 . 1 1 6 6 ARG HA H 6 4.389 4.389 4.781 -0.392 19205 22 1 . 1 1 6 6 ARG C C 6 176.780 176.780 177.593 -0.813 19205 23 1 . 1 1 6 6 ARG CA C 6 55.538 55.538 54.246 1.292 19205 24 1 . 1 1 6 6 ARG CB C 6 31.543 31.543 31.845 -0.302 19205 25 1 . 1 1 6 6 ARG H H 6 7.865 7.865 8.006 -0.141 19205 26 1 . 1 1 7 7 GLY N N 7 109.318 109.318 110.004 -0.686 19205 27 1 . 1 1 7 7 GLY C C 7 174.275 174.275 174.736 -0.461 19205 28 1 . 1 1 7 7 GLY CA C 7 46.020 46.020 46.990 -0.970 19205 29 1 . 1 1 7 7 GLY H H 7 8.529 8.529 8.648 -0.119 19205 30 1 . 1 1 8 8 ASP N N 8 121.036 121.036 119.683 1.353 19205 31 1 . 1 1 8 8 ASP HA H 8 4.555 4.555 4.717 -0.162 19205 32 1 . 1 1 8 8 ASP C C 8 175.562 175.562 175.300 0.262 19205 33 1 . 1 1 8 8 ASP CA C 8 53.748 53.748 53.871 -0.123 19205 34 1 . 1 1 8 8 ASP CB C 8 40.059 40.059 40.646 -0.587 19205 35 1 . 1 1 8 8 ASP H H 8 8.414 8.414 8.657 -0.243 19205 36 1 . 1 1 9 9 TRP N N 9 121.704 121.704 122.531 -0.827 19205 37 1 . 1 1 9 9 TRP HA H 9 4.493 4.493 4.774 -0.281 19205 38 1 . 1 1 9 9 TRP C C 9 175.498 175.498 174.866 0.632 19205 39 1 . 1 1 9 9 TRP CA C 9 57.094 57.094 55.910 1.184 19205 40 1 . 1 1 9 9 TRP CB C 9 29.809 29.809 29.258 0.551 19205 41 1 . 1 1 9 9 TRP H H 9 7.814 7.814 7.825 -0.011 19205 42 1 . 1 1 10 10 ALA N N 10 128.588 128.588 127.901 0.687 19205 43 1 . 1 1 10 10 ALA HA H 10 4.413 4.413 4.419 -0.006 19205 44 1 . 1 1 10 10 ALA CA C 10 50.270 50.270 50.665 -0.395 19205 45 1 . 1 1 10 10 ALA CB C 10 18.115 18.115 18.574 -0.459 19205 46 1 . 1 1 10 10 ALA H H 10 8.163 8.163 8.101 0.062 19205 47 1 . 1 1 11 11 PRO HA H 11 4.331 4.331 4.941 -0.610 19205 48 1 . 1 1 11 11 PRO C C 11 176.753 176.753 176.718 0.035 19205 49 1 . 1 1 11 11 PRO CA C 11 62.996 62.996 62.092 0.904 19205 50 1 . 1 1 11 11 PRO CB C 11 32.445 32.445 32.508 -0.063 19205 51 1 . 1 1 12 12 THR N N 12 119.798 119.798 117.258 2.540 19205 52 1 . 1 1 12 12 THR HA H 12 4.512 4.512 4.736 -0.224 19205 53 1 . 1 1 12 12 THR C C 12 173.572 173.572 174.563 -0.991 19205 54 1 . 1 1 12 12 THR CA C 12 62.099 62.099 61.910 0.189 19205 55 1 . 1 1 12 12 THR CB C 12 71.060 71.060 70.282 0.778 19205 56 1 . 1 1 12 12 THR H H 12 9.006 9.006 8.547 0.459 19205 57 1 . 1 1 13 13 SER N N 13 123.494 123.494 122.005 1.489 19205 58 1 . 1 1 13 13 SER HA H 13 4.539 4.539 4.414 0.125 19205 59 1 . 1 1 13 13 SER C C 13 172.953 172.953 174.482 -1.529 19205 60 1 . 1 1 13 13 SER CA C 13 58.421 58.421 58.483 -0.062 19205 61 1 . 1 1 13 13 SER CB C 13 63.844 63.844 63.125 0.719 19205 62 1 . 1 1 13 13 SER H H 13 8.805 8.805 8.743 0.062 19205 63 1 . 1 1 14 14 CYS N N 14 116.548 116.548 120.502 -3.954 19205 64 1 . 1 1 14 14 CYS HA H 14 4.940 4.940 4.887 0.053 19205 65 1 . 1 1 14 14 CYS C C 14 172.746 172.746 173.568 -0.822 19205 66 1 . 1 1 14 14 CYS CA C 14 53.806 53.806 56.771 -2.965 19205 67 1 . 1 1 14 14 CYS CB C 14 47.605 47.605 31.525 16.080 19205 68 1 . 1 1 14 14 CYS H H 14 8.265 8.265 8.404 -0.139 19205 69 1 . 1 1 15 15 SER N N 15 113.958 113.958 114.123 -0.165 19205 70 1 . 1 1 15 15 SER HA H 15 4.531 4.531 4.636 -0.105 19205 71 1 . 1 1 15 15 SER C C 15 173.205 173.205 173.779 -0.574 19205 72 1 . 1 1 15 15 SER CA C 15 58.826 58.826 58.662 0.164 19205 73 1 . 1 1 15 15 SER CB C 15 65.097 65.097 64.990 0.107 19205 74 1 . 1 1 15 15 SER H H 15 9.497 9.497 9.151 0.346 19205 75 1 . 1 1 16 16 GLN N N 16 118.516 118.516 119.011 -0.495 19205 76 1 . 1 1 16 16 GLN HA H 16 4.744 4.744 4.669 0.075 19205 77 1 . 1 1 16 16 GLN C C 16 176.335 176.335 174.622 1.713 19205 78 1 . 1 1 16 16 GLN CA C 16 53.941 53.941 54.644 -0.703 19205 79 1 . 1 1 16 16 GLN CB C 16 31.323 31.323 31.108 0.215 19205 80 1 . 1 1 16 16 GLN H H 16 8.049 8.049 7.845 0.204 19205 81 1 . 1 1 17 17 ASP N N 17 124.190 124.190 121.869 2.321 19205 82 1 . 1 1 17 17 ASP HA H 17 4.109 4.109 4.447 -0.339 19205 83 1 . 1 1 17 17 ASP C C 17 178.349 178.349 178.033 0.316 19205 84 1 . 1 1 17 17 ASP CA C 17 58.947 58.947 57.080 1.867 19205 85 1 . 1 1 17 17 ASP CB C 17 39.523 39.523 40.375 -0.852 19205 86 1 . 1 1 17 17 ASP H H 17 9.208 9.208 8.827 0.380 19205 87 1 . 1 1 18 18 SER N N 18 112.259 112.259 112.296 -0.037 19205 88 1 . 1 1 18 18 SER HA H 18 4.228 4.228 4.263 -0.035 19205 89 1 . 1 1 18 18 SER C C 18 175.037 175.037 175.077 -0.040 19205 90 1 . 1 1 18 18 SER CA C 18 60.093 60.093 59.740 0.353 19205 91 1 . 1 1 18 18 SER CB C 18 62.134 62.134 62.941 -0.807 19205 92 1 . 1 1 18 18 SER H H 18 8.371 8.371 8.178 0.193 19205 93 1 . 1 1 19 19 ASP N N 19 120.750 120.750 120.747 0.003 19205 94 1 . 1 1 19 19 ASP HA H 19 4.591 4.591 4.676 -0.084 19205 95 1 . 1 1 19 19 ASP C C 19 175.958 175.958 176.348 -0.390 19205 96 1 . 1 1 19 19 ASP CA C 19 55.885 55.885 54.958 0.927 19205 97 1 . 1 1 19 19 ASP CB C 19 42.022 42.022 41.133 0.889 19205 98 1 . 1 1 19 19 ASP H H 19 7.697 7.697 7.762 -0.065 19205 99 1 . 1 1 20 20 CYS N N 20 118.125 118.125 116.597 1.528 19205 100 1 . 1 1 20 20 CYS HA H 20 4.977 4.977 4.677 0.300 19205 101 1 . 1 1 20 20 CYS C C 20 174.152 174.152 174.801 -0.649 19205 102 1 . 1 1 20 20 CYS CA C 20 51.981 51.981 58.174 -6.193 19205 103 1 . 1 1 20 20 CYS CB C 20 39.974 39.974 29.733 10.241 19205 104 1 . 1 1 20 20 CYS H H 20 7.947 7.947 7.648 0.299 19205 105 1 . 1 1 21 21 LEU N N 21 121.658 121.658 121.288 0.369 19205 106 1 . 1 1 21 21 LEU HA H 21 4.167 4.167 4.363 -0.196 19205 107 1 . 1 1 21 21 LEU C C 21 176.589 176.589 177.489 -0.900 19205 108 1 . 1 1 21 21 LEU CA C 21 54.886 54.886 54.466 0.420 19205 109 1 . 1 1 21 21 LEU CB C 21 42.923 42.923 42.728 0.195 19205 110 1 . 1 1 21 21 LEU H H 21 8.522 8.522 8.429 0.093 19205 111 1 . 1 1 22 22 ALA N N 22 121.907 121.907 123.040 -1.133 19205 112 1 . 1 1 22 22 ALA HA H 22 4.072 4.072 4.168 -0.096 19205 113 1 . 1 1 22 22 ALA C C 22 178.382 178.382 178.516 -0.134 19205 114 1 . 1 1 22 22 ALA CA C 22 53.965 53.965 53.510 0.455 19205 115 1 . 1 1 22 22 ALA CB C 22 17.944 17.944 18.276 -0.332 19205 116 1 . 1 1 22 22 ALA H H 22 8.104 8.104 8.446 -0.342 19205 117 1 . 1 1 23 23 GLY N N 23 110.790 110.790 111.999 -1.209 19205 118 1 . 1 1 23 23 GLY C C 23 174.553 174.553 174.610 -0.057 19205 119 1 . 1 1 23 23 GLY CA C 23 44.621 44.621 44.777 -0.156 19205 120 1 . 1 1 23 23 GLY H H 23 8.644 8.644 8.731 -0.087 19205 121 1 . 1 1 24 24 CYS N N 24 119.431 119.431 119.310 0.121 19205 122 1 . 1 1 24 24 CYS HA H 24 4.850 4.850 4.992 -0.142 19205 123 1 . 1 1 24 24 CYS C C 24 172.768 172.768 174.125 -1.357 19205 124 1 . 1 1 24 24 CYS CA C 24 54.902 54.902 58.469 -3.567 19205 125 1 . 1 1 24 24 CYS CB C 24 46.168 46.168 29.661 16.507 19205 126 1 . 1 1 24 24 CYS H H 24 8.491 8.491 7.694 0.797 19205 127 1 . 1 1 25 25 VAL N N 25 115.469 115.469 116.553 -1.084 19205 128 1 . 1 1 25 25 VAL HA H 25 4.367 4.367 4.649 -0.282 19205 129 1 . 1 1 25 25 VAL C C 25 175.161 175.161 173.845 1.316 19205 130 1 . 1 1 25 25 VAL CA C 25 59.327 59.327 59.037 0.290 19205 131 1 . 1 1 25 25 VAL CB C 25 35.035 35.035 34.509 0.526 19205 132 1 . 1 1 25 25 VAL H H 25 9.324 9.324 9.021 0.303 19205 133 1 . 1 1 26 26 CYS N N 26 123.350 123.350 121.180 2.170 19205 134 1 . 1 1 26 26 CYS HA H 26 4.810 4.810 4.799 0.011 19205 135 1 . 1 1 26 26 CYS C C 26 174.891 174.891 176.024 -1.133 19205 136 1 . 1 1 26 26 CYS CA C 26 55.199 55.199 58.731 -3.532 19205 137 1 . 1 1 26 26 CYS CB C 26 38.260 38.260 25.704 12.556 19205 138 1 . 1 1 26 26 CYS H H 26 9.346 9.346 8.866 0.480 19205 139 1 . 1 1 27 27 GLY N N 27 117.742 117.742 116.662 1.080 19205 140 1 . 1 1 27 27 GLY CA C 27 45.458 45.458 44.118 1.340 19205 141 1 . 1 1 27 27 GLY H H 27 8.259 8.259 8.951 -0.692 19205 142 1 . 1 1 28 28 PRO HA H 28 4.370 4.370 4.431 -0.061 19205 143 1 . 1 1 28 28 PRO C C 28 176.720 176.720 176.829 -0.109 19205 144 1 . 1 1 28 28 PRO CA C 28 64.486 64.486 64.405 0.081 19205 145 1 . 1 1 28 28 PRO CB C 28 31.553 31.553 31.659 -0.106 19205 146 1 . 1 1 29 29 ASN N N 29 114.300 114.300 116.452 -2.152 19205 147 1 . 1 1 29 29 ASN HA H 29 4.649 4.649 4.683 -0.034 19205 148 1 . 1 1 29 29 ASN C C 29 175.490 175.490 176.424 -0.934 19205 149 1 . 1 1 29 29 ASN CA C 29 52.335 52.335 52.950 -0.615 19205 150 1 . 1 1 29 29 ASN CB C 29 37.566 37.566 37.679 -0.113 19205 151 1 . 1 1 29 29 ASN H H 29 8.061 8.061 8.229 -0.167 19205 152 1 . 1 1 30 30 GLY N N 30 107.086 107.086 107.085 0.001 19205 153 1 . 1 1 30 30 GLY C C 30 173.758 173.758 172.909 0.849 19205 154 1 . 1 1 30 30 GLY CA C 30 46.312 46.312 45.132 1.180 19205 155 1 . 1 1 30 30 GLY H H 30 8.294 8.294 7.952 0.342 19205 156 1 . 1 1 31 31 PHE N N 31 115.129 115.129 118.416 -3.287 19205 157 1 . 1 1 31 31 PHE HA H 31 5.350 5.350 5.328 0.022 19205 158 1 . 1 1 31 31 PHE C C 31 176.773 176.773 175.287 1.486 19205 159 1 . 1 1 31 31 PHE CA C 31 56.410 56.410 56.112 0.298 19205 160 1 . 1 1 31 31 PHE CB C 31 42.474 42.474 42.628 -0.154 19205 161 1 . 1 1 31 31 PHE H H 31 7.167 7.167 8.237 -1.070 19205 162 1 . 1 1 32 32 CYS N N 32 123.123 123.123 120.732 2.391 19205 163 1 . 1 1 32 32 CYS HA H 32 5.099 5.099 5.149 -0.050 19205 164 1 . 1 1 32 32 CYS C C 32 175.875 175.875 175.871 0.004 19205 165 1 . 1 1 32 32 CYS CA C 32 55.430 55.430 59.381 -3.951 19205 166 1 . 1 1 32 32 CYS CB C 32 42.087 42.087 26.491 15.596 19205 167 1 . 1 1 32 32 CYS H H 32 8.708 8.708 8.915 -0.207 19205 stop_ save_