data_25433 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25433 _Entry.PDB_ID 2MXV 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 25433 _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 7 7 ASN N N 7 121.300 121.300 120.282 1.018 25433 2 1 1 . 1 1 7 7 ASN CB C 7 30.000 30.000 36.914 -6.914 25433 3 1 1 . 1 1 7 7 ASN H H 7 8.535 8.535 8.322 0.213 25433 4 1 1 . 1 1 8 8 GLU N N 8 119.801 119.801 120.365 -0.564 25433 5 1 1 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.415 0.025 25433 6 1 1 . 1 1 8 8 GLU C C 8 175.693 175.693 175.447 0.246 25433 7 1 1 . 1 1 8 8 GLU CA C 8 55.855 55.855 54.576 1.279 25433 8 1 1 . 1 1 8 8 GLU CB C 8 31.029 31.029 31.131 -0.102 25433 9 1 1 . 1 1 8 8 GLU H H 8 8.372 8.372 7.906 0.466 25433 10 1 1 . 1 1 9 9 ASP N N 9 120.567 120.567 119.204 1.363 25433 11 1 1 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.269 0.458 25433 12 1 1 . 1 1 9 9 ASP C C 9 175.618 175.618 173.855 1.763 25433 13 1 1 . 1 1 9 9 ASP CA C 9 54.857 54.857 56.618 -1.761 25433 14 1 1 . 1 1 9 9 ASP CB C 9 41.330 41.330 40.747 0.583 25433 15 1 1 . 1 1 9 9 ASP H H 9 8.158 8.158 7.658 0.500 25433 16 1 1 . 1 1 10 10 TRP N N 10 116.757 116.757 117.304 -0.547 25433 17 1 1 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.804 0.209 25433 18 1 1 . 1 1 10 10 TRP C C 10 173.732 173.732 173.560 0.172 25433 19 1 1 . 1 1 10 10 TRP CA C 10 54.037 54.037 56.089 -2.052 25433 20 1 1 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.571 0.799 25433 21 1 1 . 1 1 10 10 TRP H H 10 8.476 8.476 8.057 0.419 25433 22 1 1 . 1 1 11 11 LEU N N 11 122.486 122.486 126.576 -4.090 25433 23 1 1 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.645 -0.126 25433 24 1 1 . 1 1 11 11 LEU C C 11 176.547 176.547 176.788 -0.241 25433 25 1 1 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.858 -0.541 25433 26 1 1 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.199 1.461 25433 27 1 1 . 1 1 11 11 LEU H H 11 8.810 8.810 8.430 0.380 25433 28 1 1 . 1 1 12 12 CYS N N 12 126.739 126.739 125.650 1.089 25433 29 1 1 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.554 0.033 25433 30 1 1 . 1 1 12 12 CYS C C 12 177.636 177.636 175.656 1.980 25433 31 1 1 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.593 -0.087 25433 32 1 1 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.332 1.998 25433 33 1 1 . 1 1 12 12 CYS H H 12 8.574 8.574 8.021 0.553 25433 34 1 1 . 1 1 13 13 ASN N N 13 127.516 127.516 122.591 4.925 25433 35 1 1 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.736 -0.202 25433 36 1 1 . 1 1 13 13 ASN C C 13 175.471 175.471 175.296 0.175 25433 37 1 1 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.262 0.710 25433 38 1 1 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.280 0.496 25433 39 1 1 . 1 1 13 13 ASN H H 13 9.229 9.229 8.982 0.247 25433 40 1 1 . 1 1 14 14 LYS N N 14 120.919 120.919 119.120 1.799 25433 41 1 1 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.561 -0.202 25433 42 1 1 . 1 1 14 14 LYS C C 14 178.199 178.199 177.924 0.275 25433 43 1 1 . 1 1 14 14 LYS CA C 14 57.428 57.428 57.357 0.071 25433 44 1 1 . 1 1 14 14 LYS CB C 14 32.706 32.706 34.241 -1.535 25433 45 1 1 . 1 1 14 14 LYS H H 14 9.274 9.274 8.012 1.262 25433 46 1 1 . 1 1 15 15 CYS N N 15 119.236 119.236 114.750 4.486 25433 47 1 1 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.448 0.274 25433 48 1 1 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.607 4.746 25433 49 1 1 . 1 1 15 15 CYS H H 15 9.014 9.014 7.978 1.036 25433 50 1 1 . 1 1 16 16 GLY N N 16 110.235 110.235 110.551 -0.316 25433 51 1 1 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.579 0.716 25433 52 1 1 . 1 1 16 16 GLY H H 16 7.817 7.817 7.983 -0.166 25433 53 1 1 . 1 1 17 17 VAL N N 17 121.337 121.337 114.935 6.402 25433 54 1 1 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.245 0.005 25433 55 1 1 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.989 0.135 25433 56 1 1 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.370 0.022 25433 57 1 1 . 1 1 17 17 VAL H H 17 8.220 8.220 7.098 1.122 25433 58 1 1 . 1 1 18 18 GLN N N 18 121.310 121.310 124.843 -3.533 25433 59 1 1 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.323 0.030 25433 60 1 1 . 1 1 18 18 GLN C C 18 174.823 174.823 174.985 -0.162 25433 61 1 1 . 1 1 18 18 GLN CA C 18 55.308 55.308 55.319 -0.011 25433 62 1 1 . 1 1 18 18 GLN CB C 18 29.505 29.505 28.682 0.823 25433 63 1 1 . 1 1 18 18 GLN H H 18 8.218 8.218 8.661 -0.443 25433 64 1 1 . 1 1 19 19 ASN N N 19 122.482 122.482 122.394 0.088 25433 65 1 1 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.798 -0.308 25433 66 1 1 . 1 1 19 19 ASN C C 19 173.360 173.360 174.945 -1.585 25433 67 1 1 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.878 0.180 25433 68 1 1 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.279 4.093 25433 69 1 1 . 1 1 19 19 ASN H H 19 9.041 9.041 7.904 1.137 25433 70 1 1 . 1 1 20 20 PHE N N 20 117.484 117.484 119.354 -1.870 25433 71 1 1 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.473 0.185 25433 72 1 1 . 1 1 20 20 PHE C C 20 176.810 176.810 175.508 1.302 25433 73 1 1 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.962 -0.176 25433 74 1 1 . 1 1 20 20 PHE CB C 20 40.003 40.003 38.146 1.857 25433 75 1 1 . 1 1 20 20 PHE H H 20 7.846 7.846 8.508 -0.662 25433 76 1 1 . 1 1 21 21 LYS N N 21 120.464 120.464 114.269 6.195 25433 77 1 1 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.810 0.318 25433 78 1 1 . 1 1 21 21 LYS C C 21 176.254 176.254 177.166 -0.912 25433 79 1 1 . 1 1 21 21 LYS CA C 21 58.878 58.878 58.787 0.091 25433 80 1 1 . 1 1 21 21 LYS CB C 21 32.334 32.334 30.471 1.863 25433 81 1 1 . 1 1 21 21 LYS H H 21 8.516 8.516 8.045 0.471 25433 82 1 1 . 1 1 22 22 ARG N N 22 112.820 112.820 117.744 -4.924 25433 83 1 1 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.487 -0.258 25433 84 1 1 . 1 1 22 22 ARG C C 22 176.851 176.851 175.915 0.936 25433 85 1 1 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.270 1.156 25433 86 1 1 . 1 1 22 22 ARG CB C 22 29.732 29.732 30.773 -1.041 25433 87 1 1 . 1 1 22 22 ARG H H 22 7.125 7.125 8.062 -0.937 25433 88 1 1 . 1 1 23 23 ARG N N 23 119.307 119.307 121.528 -2.221 25433 89 1 1 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.473 -0.091 25433 90 1 1 . 1 1 23 23 ARG C C 23 177.143 177.143 177.446 -0.303 25433 91 1 1 . 1 1 23 23 ARG CA C 23 57.037 57.037 56.519 0.518 25433 92 1 1 . 1 1 23 23 ARG CB C 23 30.944 30.944 30.180 0.764 25433 93 1 1 . 1 1 23 23 ARG H H 23 8.349 8.349 7.950 0.399 25433 94 1 1 . 1 1 24 24 GLU N N 24 120.195 120.195 125.079 -4.884 25433 95 1 1 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.108 0.156 25433 96 1 1 . 1 1 24 24 GLU C C 24 176.371 176.371 176.384 -0.013 25433 97 1 1 . 1 1 24 24 GLU CA C 24 56.975 56.975 58.824 -1.849 25433 98 1 1 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.502 0.317 25433 99 1 1 . 1 1 24 24 GLU H H 24 8.967 8.967 9.001 -0.034 25433 100 1 1 . 1 1 25 25 LYS N N 25 116.632 116.632 116.677 -0.045 25433 101 1 1 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.253 -0.347 25433 102 1 1 . 1 1 25 25 LYS C C 25 174.820 174.820 176.131 -1.311 25433 103 1 1 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.318 -0.254 25433 104 1 1 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.038 -0.295 25433 105 1 1 . 1 1 25 25 LYS H H 25 7.862 7.862 7.849 0.013 25433 106 1 1 . 1 1 26 26 CYS N N 26 124.535 124.535 119.922 4.613 25433 107 1 1 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.511 -0.330 25433 108 1 1 . 1 1 26 26 CYS C C 26 178.895 178.895 176.521 2.374 25433 109 1 1 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.944 -1.770 25433 110 1 1 . 1 1 26 26 CYS CB C 26 30.942 30.942 28.194 2.748 25433 111 1 1 . 1 1 26 26 CYS H H 26 8.678 8.678 8.627 0.051 25433 112 1 1 . 1 1 27 27 PHE N N 27 129.286 129.286 122.805 6.481 25433 113 1 1 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.342 0.008 25433 114 1 1 . 1 1 27 27 PHE C C 27 174.408 174.408 175.713 -1.305 25433 115 1 1 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.376 -0.650 25433 116 1 1 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.380 0.044 25433 117 1 1 . 1 1 27 27 PHE H H 27 9.344 9.344 9.116 0.228 25433 118 1 1 . 1 1 28 28 LYS N N 28 124.525 124.525 115.756 8.769 25433 119 1 1 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.211 -0.148 25433 120 1 1 . 1 1 28 28 LYS C C 28 177.362 177.362 176.740 0.622 25433 121 1 1 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.297 0.947 25433 122 1 1 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.414 1.896 25433 123 1 1 . 1 1 28 28 LYS H H 28 8.765 8.765 7.504 1.261 25433 124 1 1 . 1 1 29 29 CYS N N 29 117.596 117.596 119.820 -2.224 25433 125 1 1 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.629 0.168 25433 126 1 1 . 1 1 29 29 CYS C C 29 177.501 177.501 175.797 1.704 25433 127 1 1 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.121 -0.200 25433 128 1 1 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.082 5.006 25433 129 1 1 . 1 1 29 29 CYS H H 29 8.357 8.357 8.230 0.127 25433 130 1 1 . 1 1 30 30 GLY N N 30 110.623 110.623 108.267 2.356 25433 131 1 1 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.414 0.720 25433 132 1 1 . 1 1 30 30 GLY H H 30 7.519 7.519 7.641 -0.122 25433 133 1 1 . 1 1 31 31 VAL N N 31 122.592 122.592 119.977 2.615 25433 134 1 1 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.312 0.036 25433 135 1 1 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.726 1.865 25433 136 1 1 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.183 -0.945 25433 137 1 1 . 1 1 31 31 VAL H H 31 8.120 8.120 7.909 0.211 25433 138 1 1 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.637 0.013 25433 139 1 1 . 1 1 32 32 PRO C C 32 176.413 176.413 176.798 -0.385 25433 140 1 1 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.636 0.136 25433 141 1 1 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.101 0.549 25433 142 1 1 . 1 1 33 33 LYS N N 33 122.957 122.957 124.183 -1.226 25433 143 1 1 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.971 0.138 25433 144 1 1 . 1 1 33 33 LYS C C 33 176.726 176.726 178.132 -1.406 25433 145 1 1 . 1 1 33 33 LYS CA C 33 58.359 58.359 58.164 0.195 25433 146 1 1 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.462 1.238 25433 147 1 1 . 1 1 33 33 LYS H H 33 7.956 7.956 8.288 -0.332 25433 148 1 1 . 1 1 34 34 SER N N 34 112.323 112.323 114.351 -2.028 25433 149 1 1 . 1 1 34 34 SER HA H 34 4.138 4.138 4.204 -0.066 25433 150 1 1 . 1 1 34 34 SER C C 34 175.141 175.141 175.496 -0.355 25433 151 1 1 . 1 1 34 34 SER CA C 34 59.160 59.160 60.807 -1.647 25433 152 1 1 . 1 1 34 34 SER CB C 34 62.820 62.820 62.654 0.166 25433 153 1 1 . 1 1 34 34 SER H H 34 8.139 8.139 8.292 -0.153 25433 154 1 1 . 1 1 35 35 GLU N N 35 120.171 120.171 119.818 0.353 25433 155 1 1 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.329 -0.078 25433 156 1 1 . 1 1 35 35 GLU C C 35 176.796 176.796 175.255 1.541 25433 157 1 1 . 1 1 35 35 GLU CA C 35 56.589 56.589 55.551 1.038 25433 158 1 1 . 1 1 35 35 GLU CB C 35 30.584 30.584 29.977 0.607 25433 159 1 1 . 1 1 35 35 GLU H H 35 7.750 7.750 7.783 -0.033 25433 160 1 1 . 1 1 36 36 ALA N N 36 122.364 122.364 121.890 0.474 25433 161 1 1 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.514 -0.242 25433 162 1 1 . 1 1 36 36 ALA C C 36 177.942 177.942 176.463 1.479 25433 163 1 1 . 1 1 36 36 ALA CA C 36 52.881 52.881 50.859 2.022 25433 164 1 1 . 1 1 36 36 ALA CB C 36 20.587 20.587 21.160 -0.574 25433 165 1 1 . 1 1 36 36 ALA H H 36 8.216 8.216 7.089 1.127 25433 166 1 1 . 1 1 37 37 GLU N N 37 117.040 117.040 120.609 -3.569 25433 167 1 1 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.171 0.182 25433 168 1 1 . 1 1 37 37 GLU C C 37 176.592 176.592 176.114 0.478 25433 169 1 1 . 1 1 37 37 GLU CA C 37 56.475 56.475 57.256 -0.781 25433 170 1 1 . 1 1 37 37 GLU CB C 37 30.170 30.170 29.779 0.391 25433 171 1 1 . 1 1 37 37 GLU H H 37 8.161 8.161 8.627 -0.466 25433 172 1 1 . 1 1 38 38 GLN N N 38 120.895 120.895 123.699 -2.804 25433 173 1 1 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.181 0.073 25433 174 1 1 . 1 1 38 38 GLN C C 38 175.615 175.615 175.524 0.091 25433 175 1 1 . 1 1 38 38 GLN CA C 38 55.689 55.689 55.706 -0.017 25433 176 1 1 . 1 1 38 38 GLN CB C 38 29.560 29.560 29.658 -0.098 25433 177 1 1 . 1 1 38 38 GLN H H 38 8.262 8.262 8.433 -0.171 25433 178 1 1 . 1 1 39 39 LYS N N 39 122.996 122.996 123.323 -0.327 25433 179 1 1 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.539 -0.243 25433 180 1 1 . 1 1 39 39 LYS C C 39 176.240 176.240 176.294 -0.054 25433 181 1 1 . 1 1 39 39 LYS CA C 39 55.795 55.795 54.697 1.098 25433 182 1 1 . 1 1 39 39 LYS CB C 39 32.981 32.981 33.659 -0.678 25433 183 1 1 . 1 1 39 39 LYS H H 39 8.416 8.416 8.174 0.242 25433 184 1 1 . 1 1 40 40 LEU N N 40 123.709 123.709 121.857 1.852 25433 185 1 1 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.536 0.039 25433 186 1 1 . 1 1 40 40 LEU CA C 40 52.786 52.786 53.669 -0.883 25433 187 1 1 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.352 0.116 25433 188 1 1 . 1 1 40 40 LEU H H 40 8.292 8.292 8.410 -0.118 25433 189 1 1 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.345 0.003 25433 190 1 1 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.813 -2.251 25433 191 1 1 . 1 1 41 41 PRO CB C 41 32.340 32.340 30.737 1.603 25433 192 1 2 . 1 1 7 7 ASN N N 7 121.300 121.300 119.729 1.571 25433 193 1 2 . 1 1 7 7 ASN CB C 7 30.000 30.000 39.019 -9.019 25433 194 1 2 . 1 1 7 7 ASN H H 7 8.535 8.535 7.831 0.704 25433 195 1 2 . 1 1 8 8 GLU N N 8 119.801 119.801 120.979 -1.178 25433 196 1 2 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.318 0.122 25433 197 1 2 . 1 1 8 8 GLU C C 8 175.693 175.693 175.879 -0.186 25433 198 1 2 . 1 1 8 8 GLU CA C 8 55.855 55.855 55.898 -0.043 25433 199 1 2 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.166 0.863 25433 200 1 2 . 1 1 8 8 GLU H H 8 8.372 8.372 8.804 -0.432 25433 201 1 2 . 1 1 9 9 ASP N N 9 120.567 120.567 119.645 0.922 25433 202 1 2 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.623 0.104 25433 203 1 2 . 1 1 9 9 ASP C C 9 175.618 175.618 176.639 -1.021 25433 204 1 2 . 1 1 9 9 ASP CA C 9 54.857 54.857 54.758 0.099 25433 205 1 2 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.289 0.041 25433 206 1 2 . 1 1 9 9 ASP H H 9 8.158 8.158 7.980 0.178 25433 207 1 2 . 1 1 10 10 TRP N N 10 116.757 116.757 119.243 -2.486 25433 208 1 2 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.869 0.145 25433 209 1 2 . 1 1 10 10 TRP C C 10 173.732 173.732 174.520 -0.788 25433 210 1 2 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.868 -1.831 25433 211 1 2 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.122 1.248 25433 212 1 2 . 1 1 10 10 TRP H H 10 8.476 8.476 7.874 0.602 25433 213 1 2 . 1 1 11 11 LEU N N 11 122.486 122.486 121.480 1.006 25433 214 1 2 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.454 -0.935 25433 215 1 2 . 1 1 11 11 LEU C C 11 176.547 176.547 177.283 -0.736 25433 216 1 2 . 1 1 11 11 LEU CA C 11 53.317 53.317 52.947 0.370 25433 217 1 2 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.843 0.817 25433 218 1 2 . 1 1 11 11 LEU H H 11 8.810 8.810 8.497 0.313 25433 219 1 2 . 1 1 12 12 CYS N N 12 126.739 126.739 121.642 5.097 25433 220 1 2 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.736 -0.149 25433 221 1 2 . 1 1 12 12 CYS C C 12 177.636 177.636 176.160 1.476 25433 222 1 2 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.361 0.145 25433 223 1 2 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.698 1.632 25433 224 1 2 . 1 1 12 12 CYS H H 12 8.574 8.574 8.472 0.102 25433 225 1 2 . 1 1 13 13 ASN N N 13 127.516 127.516 122.808 4.708 25433 226 1 2 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.641 -0.107 25433 227 1 2 . 1 1 13 13 ASN C C 13 175.471 175.471 175.872 -0.401 25433 228 1 2 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.962 0.010 25433 229 1 2 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.672 0.104 25433 230 1 2 . 1 1 13 13 ASN H H 13 9.229 9.229 8.930 0.299 25433 231 1 2 . 1 1 14 14 LYS N N 14 120.919 120.919 119.681 1.238 25433 232 1 2 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.440 -0.081 25433 233 1 2 . 1 1 14 14 LYS C C 14 178.199 178.199 178.083 0.116 25433 234 1 2 . 1 1 14 14 LYS CA C 14 57.428 57.428 57.893 -0.465 25433 235 1 2 . 1 1 14 14 LYS CB C 14 32.706 32.706 33.284 -0.578 25433 236 1 2 . 1 1 14 14 LYS H H 14 9.274 9.274 8.016 1.258 25433 237 1 2 . 1 1 15 15 CYS N N 15 119.236 119.236 112.954 6.282 25433 238 1 2 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.499 0.223 25433 239 1 2 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.018 5.335 25433 240 1 2 . 1 1 15 15 CYS H H 15 9.014 9.014 7.991 1.023 25433 241 1 2 . 1 1 16 16 GLY N N 16 110.235 110.235 110.801 -0.566 25433 242 1 2 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.877 0.418 25433 243 1 2 . 1 1 16 16 GLY H H 16 7.817 7.817 8.097 -0.280 25433 244 1 2 . 1 1 17 17 VAL N N 17 121.337 121.337 114.296 7.041 25433 245 1 2 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.139 0.111 25433 246 1 2 . 1 1 17 17 VAL CA C 17 61.124 61.124 61.256 -0.132 25433 247 1 2 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.014 0.378 25433 248 1 2 . 1 1 17 17 VAL H H 17 8.220 8.220 7.206 1.014 25433 249 1 2 . 1 1 18 18 GLN N N 18 121.310 121.310 122.657 -1.347 25433 250 1 2 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.705 -0.352 25433 251 1 2 . 1 1 18 18 GLN C C 18 174.823 174.823 175.207 -0.384 25433 252 1 2 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.363 0.945 25433 253 1 2 . 1 1 18 18 GLN CB C 18 29.505 29.505 30.131 -0.626 25433 254 1 2 . 1 1 18 18 GLN H H 18 8.218 8.218 8.524 -0.306 25433 255 1 2 . 1 1 19 19 ASN N N 19 122.482 122.482 124.307 -1.825 25433 256 1 2 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.951 -0.461 25433 257 1 2 . 1 1 19 19 ASN C C 19 173.360 173.360 173.785 -0.425 25433 258 1 2 . 1 1 19 19 ASN CA C 19 52.058 52.058 52.104 -0.046 25433 259 1 2 . 1 1 19 19 ASN CB C 19 43.372 43.372 38.703 4.669 25433 260 1 2 . 1 1 19 19 ASN H H 19 9.041 9.041 7.902 1.139 25433 261 1 2 . 1 1 20 20 PHE N N 20 117.484 117.484 120.010 -2.526 25433 262 1 2 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.772 -0.114 25433 263 1 2 . 1 1 20 20 PHE C C 20 176.810 176.810 175.962 0.848 25433 264 1 2 . 1 1 20 20 PHE CA C 20 56.786 56.786 55.731 1.055 25433 265 1 2 . 1 1 20 20 PHE CB C 20 40.003 40.003 38.502 1.501 25433 266 1 2 . 1 1 20 20 PHE H H 20 7.846 7.846 8.399 -0.553 25433 267 1 2 . 1 1 21 21 LYS N N 21 120.464 120.464 121.191 -0.727 25433 268 1 2 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.572 0.556 25433 269 1 2 . 1 1 21 21 LYS C C 21 176.254 176.254 177.809 -1.555 25433 270 1 2 . 1 1 21 21 LYS CA C 21 58.878 58.878 59.677 -0.799 25433 271 1 2 . 1 1 21 21 LYS CB C 21 32.334 32.334 31.010 1.324 25433 272 1 2 . 1 1 21 21 LYS H H 21 8.516 8.516 7.711 0.805 25433 273 1 2 . 1 1 22 22 ARG N N 22 112.820 112.820 119.341 -6.521 25433 274 1 2 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.039 0.190 25433 275 1 2 . 1 1 22 22 ARG C C 22 176.851 176.851 176.449 0.402 25433 276 1 2 . 1 1 22 22 ARG CA C 22 56.426 56.426 57.340 -0.914 25433 277 1 2 . 1 1 22 22 ARG CB C 22 29.732 29.732 30.053 -0.321 25433 278 1 2 . 1 1 22 22 ARG H H 22 7.125 7.125 7.825 -0.700 25433 279 1 2 . 1 1 23 23 ARG N N 23 119.307 119.307 119.130 0.177 25433 280 1 2 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.293 0.089 25433 281 1 2 . 1 1 23 23 ARG C C 23 177.143 177.143 177.171 -0.028 25433 282 1 2 . 1 1 23 23 ARG CA C 23 57.037 57.037 56.119 0.918 25433 283 1 2 . 1 1 23 23 ARG CB C 23 30.944 30.944 29.097 1.847 25433 284 1 2 . 1 1 23 23 ARG H H 23 8.349 8.349 8.048 0.301 25433 285 1 2 . 1 1 24 24 GLU N N 24 120.195 120.195 124.763 -4.568 25433 286 1 2 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.163 0.101 25433 287 1 2 . 1 1 24 24 GLU C C 24 176.371 176.371 176.712 -0.341 25433 288 1 2 . 1 1 24 24 GLU CA C 24 56.975 56.975 58.672 -1.697 25433 289 1 2 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.047 0.772 25433 290 1 2 . 1 1 24 24 GLU H H 24 8.967 8.967 8.958 0.009 25433 291 1 2 . 1 1 25 25 LYS N N 25 116.632 116.632 116.283 0.349 25433 292 1 2 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.224 -0.318 25433 293 1 2 . 1 1 25 25 LYS C C 25 174.820 174.820 176.383 -1.563 25433 294 1 2 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.068 -0.004 25433 295 1 2 . 1 1 25 25 LYS CB C 25 35.743 35.743 35.638 0.105 25433 296 1 2 . 1 1 25 25 LYS H H 25 7.862 7.862 7.811 0.051 25433 297 1 2 . 1 1 26 26 CYS N N 26 124.535 124.535 119.729 4.806 25433 298 1 2 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.456 -0.275 25433 299 1 2 . 1 1 26 26 CYS C C 26 178.895 178.895 176.616 2.279 25433 300 1 2 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.629 -1.454 25433 301 1 2 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.903 3.039 25433 302 1 2 . 1 1 26 26 CYS H H 26 8.678 8.678 8.630 0.048 25433 303 1 2 . 1 1 27 27 PHE N N 27 129.286 129.286 120.573 8.713 25433 304 1 2 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.386 -0.036 25433 305 1 2 . 1 1 27 27 PHE C C 27 174.408 174.408 175.726 -1.318 25433 306 1 2 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.071 0.655 25433 307 1 2 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.317 0.107 25433 308 1 2 . 1 1 27 27 PHE H H 27 9.344 9.344 8.306 1.038 25433 309 1 2 . 1 1 28 28 LYS N N 28 124.525 124.525 115.301 9.224 25433 310 1 2 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.342 -0.279 25433 311 1 2 . 1 1 28 28 LYS C C 28 177.362 177.362 176.295 1.067 25433 312 1 2 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.493 0.751 25433 313 1 2 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.668 1.642 25433 314 1 2 . 1 1 28 28 LYS H H 28 8.765 8.765 7.535 1.230 25433 315 1 2 . 1 1 29 29 CYS N N 29 117.596 117.596 120.414 -2.818 25433 316 1 2 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.738 0.059 25433 317 1 2 . 1 1 29 29 CYS C C 29 177.501 177.501 175.794 1.707 25433 318 1 2 . 1 1 29 29 CYS CA C 29 58.921 58.921 58.863 0.058 25433 319 1 2 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.231 4.857 25433 320 1 2 . 1 1 29 29 CYS H H 29 8.357 8.357 8.438 -0.081 25433 321 1 2 . 1 1 30 30 GLY N N 30 110.623 110.623 109.415 1.208 25433 322 1 2 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.367 0.767 25433 323 1 2 . 1 1 30 30 GLY H H 30 7.519 7.519 7.659 -0.140 25433 324 1 2 . 1 1 31 31 VAL N N 31 122.592 122.592 119.991 2.601 25433 325 1 2 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.311 0.037 25433 326 1 2 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.446 2.146 25433 327 1 2 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.641 -1.403 25433 328 1 2 . 1 1 31 31 VAL H H 31 8.120 8.120 7.924 0.196 25433 329 1 2 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.561 0.089 25433 330 1 2 . 1 1 32 32 PRO C C 32 176.413 176.413 177.665 -1.252 25433 331 1 2 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.634 0.138 25433 332 1 2 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.241 0.409 25433 333 1 2 . 1 1 33 33 LYS N N 33 122.957 122.957 124.221 -1.264 25433 334 1 2 . 1 1 33 33 LYS HA H 33 3.109 3.109 3.144 -0.035 25433 335 1 2 . 1 1 33 33 LYS C C 33 176.726 176.726 177.990 -1.264 25433 336 1 2 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.150 -0.791 25433 337 1 2 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.823 0.877 25433 338 1 2 . 1 1 33 33 LYS H H 33 7.956 7.956 8.464 -0.508 25433 339 1 2 . 1 1 34 34 SER N N 34 112.323 112.323 113.037 -0.714 25433 340 1 2 . 1 1 34 34 SER HA H 34 4.138 4.138 4.110 0.028 25433 341 1 2 . 1 1 34 34 SER C C 34 175.141 175.141 175.333 -0.192 25433 342 1 2 . 1 1 34 34 SER CA C 34 59.160 59.160 60.956 -1.796 25433 343 1 2 . 1 1 34 34 SER CB C 34 62.820 62.820 62.563 0.257 25433 344 1 2 . 1 1 34 34 SER H H 34 8.139 8.139 8.542 -0.403 25433 345 1 2 . 1 1 35 35 GLU N N 35 120.171 120.171 118.227 1.944 25433 346 1 2 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.470 -0.219 25433 347 1 2 . 1 1 35 35 GLU C C 35 176.796 176.796 177.396 -0.600 25433 348 1 2 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.573 0.016 25433 349 1 2 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.454 0.130 25433 350 1 2 . 1 1 35 35 GLU H H 35 7.750 7.750 7.560 0.190 25433 351 1 2 . 1 1 36 36 ALA N N 36 122.364 122.364 123.084 -0.720 25433 352 1 2 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.163 0.109 25433 353 1 2 . 1 1 36 36 ALA C C 36 177.942 177.942 177.956 -0.014 25433 354 1 2 . 1 1 36 36 ALA CA C 36 52.881 52.881 53.483 -0.602 25433 355 1 2 . 1 1 36 36 ALA CB C 36 20.587 20.587 18.664 1.923 25433 356 1 2 . 1 1 36 36 ALA H H 36 8.216 8.216 7.042 1.174 25433 357 1 2 . 1 1 37 37 GLU N N 37 117.040 117.040 117.974 -0.934 25433 358 1 2 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.339 0.014 25433 359 1 2 . 1 1 37 37 GLU C C 37 176.592 176.592 176.014 0.578 25433 360 1 2 . 1 1 37 37 GLU CA C 37 56.475 56.475 54.911 1.564 25433 361 1 2 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.286 -0.116 25433 362 1 2 . 1 1 37 37 GLU H H 37 8.161 8.161 7.755 0.406 25433 363 1 2 . 1 1 38 38 GLN N N 38 120.895 120.895 119.178 1.717 25433 364 1 2 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.123 0.131 25433 365 1 2 . 1 1 38 38 GLN C C 38 175.615 175.615 175.594 0.021 25433 366 1 2 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.304 -0.615 25433 367 1 2 . 1 1 38 38 GLN CB C 38 29.560 29.560 28.547 1.014 25433 368 1 2 . 1 1 38 38 GLN H H 38 8.262 8.262 8.371 -0.109 25433 369 1 2 . 1 1 39 39 LYS N N 39 122.996 122.996 124.589 -1.593 25433 370 1 2 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.281 0.015 25433 371 1 2 . 1 1 39 39 LYS C C 39 176.240 176.240 176.403 -0.163 25433 372 1 2 . 1 1 39 39 LYS CA C 39 55.795 55.795 56.237 -0.442 25433 373 1 2 . 1 1 39 39 LYS CB C 39 32.981 32.981 32.920 0.061 25433 374 1 2 . 1 1 39 39 LYS H H 39 8.416 8.416 8.367 0.049 25433 375 1 2 . 1 1 40 40 LEU N N 40 123.709 123.709 126.146 -2.437 25433 376 1 2 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.538 0.037 25433 377 1 2 . 1 1 40 40 LEU CA C 40 52.786 52.786 52.781 0.005 25433 378 1 2 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.652 -0.184 25433 379 1 2 . 1 1 40 40 LEU H H 40 8.292 8.292 8.179 0.113 25433 380 1 2 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.434 -0.086 25433 381 1 2 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.584 -2.022 25433 382 1 2 . 1 1 41 41 PRO CB C 41 32.340 32.340 30.773 1.567 25433 383 1 3 . 1 1 7 7 ASN N N 7 121.300 121.300 119.365 1.935 25433 384 1 3 . 1 1 7 7 ASN CB C 7 30.000 30.000 39.188 -9.188 25433 385 1 3 . 1 1 7 7 ASN H H 7 8.535 8.535 7.800 0.735 25433 386 1 3 . 1 1 8 8 GLU N N 8 119.801 119.801 127.143 -7.342 25433 387 1 3 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.340 0.100 25433 388 1 3 . 1 1 8 8 GLU C C 8 175.693 175.693 176.234 -0.541 25433 389 1 3 . 1 1 8 8 GLU CA C 8 55.855 55.855 55.810 0.045 25433 390 1 3 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.547 0.481 25433 391 1 3 . 1 1 8 8 GLU H H 8 8.372 8.372 8.884 -0.512 25433 392 1 3 . 1 1 9 9 ASP N N 9 120.567 120.567 116.835 3.732 25433 393 1 3 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.455 0.272 25433 394 1 3 . 1 1 9 9 ASP C C 9 175.618 175.618 174.874 0.744 25433 395 1 3 . 1 1 9 9 ASP CA C 9 54.857 54.857 56.626 -1.769 25433 396 1 3 . 1 1 9 9 ASP CB C 9 41.330 41.330 39.807 1.522 25433 397 1 3 . 1 1 9 9 ASP H H 9 8.158 8.158 8.035 0.123 25433 398 1 3 . 1 1 10 10 TRP N N 10 116.757 116.757 116.047 0.710 25433 399 1 3 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.971 0.043 25433 400 1 3 . 1 1 10 10 TRP C C 10 173.732 173.732 173.479 0.253 25433 401 1 3 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.328 -1.290 25433 402 1 3 . 1 1 10 10 TRP CB C 10 31.370 31.370 31.113 0.257 25433 403 1 3 . 1 1 10 10 TRP H H 10 8.476 8.476 7.709 0.767 25433 404 1 3 . 1 1 11 11 LEU N N 11 122.486 122.486 124.488 -2.002 25433 405 1 3 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.047 -0.528 25433 406 1 3 . 1 1 11 11 LEU C C 11 176.547 176.547 176.483 0.064 25433 407 1 3 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.327 -0.010 25433 408 1 3 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.737 0.923 25433 409 1 3 . 1 1 11 11 LEU H H 11 8.810 8.810 8.454 0.356 25433 410 1 3 . 1 1 12 12 CYS N N 12 126.739 126.739 124.638 2.101 25433 411 1 3 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.654 -0.067 25433 412 1 3 . 1 1 12 12 CYS C C 12 177.636 177.636 175.769 1.867 25433 413 1 3 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.915 -0.409 25433 414 1 3 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.720 1.610 25433 415 1 3 . 1 1 12 12 CYS H H 12 8.574 8.574 8.941 -0.367 25433 416 1 3 . 1 1 13 13 ASN N N 13 127.516 127.516 123.410 4.106 25433 417 1 3 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.771 -0.237 25433 418 1 3 . 1 1 13 13 ASN C C 13 175.471 175.471 175.834 -0.363 25433 419 1 3 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.922 0.050 25433 420 1 3 . 1 1 13 13 ASN CB C 13 38.776 38.776 39.025 -0.249 25433 421 1 3 . 1 1 13 13 ASN H H 13 9.229 9.229 9.030 0.199 25433 422 1 3 . 1 1 14 14 LYS N N 14 120.919 120.919 120.416 0.503 25433 423 1 3 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.368 -0.009 25433 424 1 3 . 1 1 14 14 LYS C C 14 178.199 178.199 178.045 0.154 25433 425 1 3 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.454 -1.026 25433 426 1 3 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.954 -0.248 25433 427 1 3 . 1 1 14 14 LYS H H 14 9.274 9.274 8.253 1.021 25433 428 1 3 . 1 1 15 15 CYS N N 15 119.236 119.236 114.291 4.945 25433 429 1 3 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.667 0.056 25433 430 1 3 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.661 4.692 25433 431 1 3 . 1 1 15 15 CYS H H 15 9.014 9.014 7.936 1.078 25433 432 1 3 . 1 1 16 16 GLY N N 16 110.235 110.235 111.546 -1.311 25433 433 1 3 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.422 0.873 25433 434 1 3 . 1 1 16 16 GLY H H 16 7.817 7.817 8.219 -0.402 25433 435 1 3 . 1 1 17 17 VAL N N 17 121.337 121.337 113.403 7.934 25433 436 1 3 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.408 -0.158 25433 437 1 3 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.261 0.863 25433 438 1 3 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.968 -0.577 25433 439 1 3 . 1 1 17 17 VAL H H 17 8.220 8.220 7.258 0.962 25433 440 1 3 . 1 1 18 18 GLN N N 18 121.310 121.310 124.049 -2.739 25433 441 1 3 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.399 -0.046 25433 442 1 3 . 1 1 18 18 GLN C C 18 174.823 174.823 174.615 0.208 25433 443 1 3 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.896 0.412 25433 444 1 3 . 1 1 18 18 GLN CB C 18 29.505 29.505 28.315 1.190 25433 445 1 3 . 1 1 18 18 GLN H H 18 8.218 8.218 8.473 -0.255 25433 446 1 3 . 1 1 19 19 ASN N N 19 122.482 122.482 124.325 -1.843 25433 447 1 3 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.734 -0.244 25433 448 1 3 . 1 1 19 19 ASN C C 19 173.360 173.360 174.012 -0.652 25433 449 1 3 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.806 0.252 25433 450 1 3 . 1 1 19 19 ASN CB C 19 43.372 43.372 40.492 2.880 25433 451 1 3 . 1 1 19 19 ASN H H 19 9.041 9.041 7.625 1.416 25433 452 1 3 . 1 1 20 20 PHE N N 20 117.484 117.484 118.401 -0.917 25433 453 1 3 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.455 0.203 25433 454 1 3 . 1 1 20 20 PHE C C 20 176.810 176.810 176.953 -0.143 25433 455 1 3 . 1 1 20 20 PHE CA C 20 56.786 56.786 59.078 -2.292 25433 456 1 3 . 1 1 20 20 PHE CB C 20 40.003 40.003 39.359 0.644 25433 457 1 3 . 1 1 20 20 PHE H H 20 7.846 7.846 8.771 -0.925 25433 458 1 3 . 1 1 21 21 LYS N N 21 120.464 120.464 121.553 -1.089 25433 459 1 3 . 1 1 21 21 LYS HA H 21 4.128 4.128 4.345 -0.217 25433 460 1 3 . 1 1 21 21 LYS C C 21 176.254 176.254 179.016 -2.762 25433 461 1 3 . 1 1 21 21 LYS CA C 21 58.878 58.878 59.266 -0.388 25433 462 1 3 . 1 1 21 21 LYS CB C 21 32.334 32.334 32.683 -0.349 25433 463 1 3 . 1 1 21 21 LYS H H 21 8.516 8.516 8.551 -0.035 25433 464 1 3 . 1 1 22 22 ARG N N 22 112.820 112.820 118.193 -5.373 25433 465 1 3 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.225 0.004 25433 466 1 3 . 1 1 22 22 ARG C C 22 176.851 176.851 176.681 0.170 25433 467 1 3 . 1 1 22 22 ARG CA C 22 56.426 56.426 57.006 -0.580 25433 468 1 3 . 1 1 22 22 ARG CB C 22 29.732 29.732 29.639 0.094 25433 469 1 3 . 1 1 22 22 ARG H H 22 7.125 7.125 8.449 -1.324 25433 470 1 3 . 1 1 23 23 ARG N N 23 119.307 119.307 119.715 -0.408 25433 471 1 3 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.379 0.003 25433 472 1 3 . 1 1 23 23 ARG C C 23 177.143 177.143 176.840 0.303 25433 473 1 3 . 1 1 23 23 ARG CA C 23 57.037 57.037 56.097 0.940 25433 474 1 3 . 1 1 23 23 ARG CB C 23 30.944 30.944 29.672 1.272 25433 475 1 3 . 1 1 23 23 ARG H H 23 8.349 8.349 8.054 0.295 25433 476 1 3 . 1 1 24 24 GLU N N 24 120.195 120.195 124.852 -4.657 25433 477 1 3 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.161 0.103 25433 478 1 3 . 1 1 24 24 GLU C C 24 176.371 176.371 176.679 -0.308 25433 479 1 3 . 1 1 24 24 GLU CA C 24 56.975 56.975 58.890 -1.915 25433 480 1 3 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.526 0.293 25433 481 1 3 . 1 1 24 24 GLU H H 24 8.967 8.967 8.984 -0.017 25433 482 1 3 . 1 1 25 25 LYS N N 25 116.632 116.632 116.035 0.597 25433 483 1 3 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.130 -0.224 25433 484 1 3 . 1 1 25 25 LYS C C 25 174.820 174.820 176.451 -1.631 25433 485 1 3 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.358 -0.294 25433 486 1 3 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.444 -0.701 25433 487 1 3 . 1 1 25 25 LYS H H 25 7.862 7.862 7.916 -0.054 25433 488 1 3 . 1 1 26 26 CYS N N 26 124.535 124.535 118.441 6.094 25433 489 1 3 . 1 1 26 26 CYS HA H 26 4.181 4.181 5.003 -0.823 25433 490 1 3 . 1 1 26 26 CYS C C 26 178.895 178.895 177.167 1.728 25433 491 1 3 . 1 1 26 26 CYS CA C 26 59.174 59.174 61.670 -2.496 25433 492 1 3 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.596 3.346 25433 493 1 3 . 1 1 26 26 CYS H H 26 8.678 8.678 8.705 -0.027 25433 494 1 3 . 1 1 27 27 PHE N N 27 129.286 129.286 121.454 7.832 25433 495 1 3 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.350 0.000 25433 496 1 3 . 1 1 27 27 PHE C C 27 174.408 174.408 175.850 -1.442 25433 497 1 3 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.859 -0.133 25433 498 1 3 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.608 -0.184 25433 499 1 3 . 1 1 27 27 PHE H H 27 9.344 9.344 9.204 0.140 25433 500 1 3 . 1 1 28 28 LYS N N 28 124.525 124.525 114.546 9.979 25433 501 1 3 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.128 -0.065 25433 502 1 3 . 1 1 28 28 LYS C C 28 177.362 177.362 176.445 0.917 25433 503 1 3 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.004 1.240 25433 504 1 3 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.462 1.847 25433 505 1 3 . 1 1 28 28 LYS H H 28 8.765 8.765 7.531 1.234 25433 506 1 3 . 1 1 29 29 CYS N N 29 117.596 117.596 120.087 -2.491 25433 507 1 3 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.438 0.359 25433 508 1 3 . 1 1 29 29 CYS C C 29 177.501 177.501 175.328 2.173 25433 509 1 3 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.691 -0.770 25433 510 1 3 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.366 4.722 25433 511 1 3 . 1 1 29 29 CYS H H 29 8.357 8.357 8.217 0.140 25433 512 1 3 . 1 1 30 30 GLY N N 30 110.623 110.623 111.407 -0.784 25433 513 1 3 . 1 1 30 30 GLY CA C 30 46.135 46.135 44.561 1.574 25433 514 1 3 . 1 1 30 30 GLY H H 30 7.519 7.519 8.433 -0.914 25433 515 1 3 . 1 1 31 31 VAL N N 31 122.592 122.592 122.671 -0.079 25433 516 1 3 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.553 -0.205 25433 517 1 3 . 1 1 31 31 VAL CA C 31 61.591 61.591 58.382 3.209 25433 518 1 3 . 1 1 31 31 VAL CB C 31 32.238 32.238 34.997 -2.759 25433 519 1 3 . 1 1 31 31 VAL H H 31 8.120 8.120 7.414 0.706 25433 520 1 3 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.592 0.058 25433 521 1 3 . 1 1 32 32 PRO C C 32 176.413 176.413 177.459 -1.046 25433 522 1 3 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.333 0.439 25433 523 1 3 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.343 0.307 25433 524 1 3 . 1 1 33 33 LYS N N 33 122.957 122.957 123.177 -0.220 25433 525 1 3 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.939 0.170 25433 526 1 3 . 1 1 33 33 LYS C C 33 176.726 176.726 177.775 -1.049 25433 527 1 3 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.125 -0.766 25433 528 1 3 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.969 0.731 25433 529 1 3 . 1 1 33 33 LYS H H 33 7.956 7.956 8.458 -0.502 25433 530 1 3 . 1 1 34 34 SER N N 34 112.323 112.323 113.062 -0.739 25433 531 1 3 . 1 1 34 34 SER HA H 34 4.138 4.138 4.090 0.048 25433 532 1 3 . 1 1 34 34 SER C C 34 175.141 175.141 175.074 0.067 25433 533 1 3 . 1 1 34 34 SER CA C 34 59.160 59.160 61.316 -2.156 25433 534 1 3 . 1 1 34 34 SER CB C 34 62.820 62.820 62.801 0.019 25433 535 1 3 . 1 1 34 34 SER H H 34 8.139 8.139 8.351 -0.212 25433 536 1 3 . 1 1 35 35 GLU N N 35 120.171 120.171 119.278 0.893 25433 537 1 3 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.330 -0.079 25433 538 1 3 . 1 1 35 35 GLU C C 35 176.796 176.796 175.005 1.791 25433 539 1 3 . 1 1 35 35 GLU CA C 35 56.589 56.589 55.433 1.156 25433 540 1 3 . 1 1 35 35 GLU CB C 35 30.584 30.584 29.512 1.072 25433 541 1 3 . 1 1 35 35 GLU H H 35 7.750 7.750 7.426 0.324 25433 542 1 3 . 1 1 36 36 ALA N N 36 122.364 122.364 120.898 1.466 25433 543 1 3 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.452 -0.180 25433 544 1 3 . 1 1 36 36 ALA C C 36 177.942 177.942 176.315 1.627 25433 545 1 3 . 1 1 36 36 ALA CA C 36 52.881 52.881 52.392 0.489 25433 546 1 3 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.240 0.347 25433 547 1 3 . 1 1 36 36 ALA H H 36 8.216 8.216 7.324 0.892 25433 548 1 3 . 1 1 37 37 GLU N N 37 117.040 117.040 123.297 -6.257 25433 549 1 3 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.384 -0.031 25433 550 1 3 . 1 1 37 37 GLU C C 37 176.592 176.592 175.557 1.035 25433 551 1 3 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.466 1.009 25433 552 1 3 . 1 1 37 37 GLU CB C 37 30.170 30.170 28.582 1.588 25433 553 1 3 . 1 1 37 37 GLU H H 37 8.161 8.161 7.810 0.351 25433 554 1 3 . 1 1 38 38 GLN N N 38 120.895 120.895 124.149 -3.254 25433 555 1 3 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.136 0.118 25433 556 1 3 . 1 1 38 38 GLN C C 38 175.615 175.615 176.651 -1.036 25433 557 1 3 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.758 -1.069 25433 558 1 3 . 1 1 38 38 GLN CB C 38 29.560 29.560 29.336 0.224 25433 559 1 3 . 1 1 38 38 GLN H H 38 8.262 8.262 7.864 0.398 25433 560 1 3 . 1 1 39 39 LYS N N 39 122.996 122.996 125.791 -2.795 25433 561 1 3 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.316 -0.020 25433 562 1 3 . 1 1 39 39 LYS C C 39 176.240 176.240 176.059 0.181 25433 563 1 3 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.824 -0.029 25433 564 1 3 . 1 1 39 39 LYS CB C 39 32.981 32.981 30.668 2.313 25433 565 1 3 . 1 1 39 39 LYS H H 39 8.416 8.416 8.702 -0.286 25433 566 1 3 . 1 1 40 40 LEU N N 40 123.709 123.709 125.361 -1.652 25433 567 1 3 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.507 0.068 25433 568 1 3 . 1 1 40 40 LEU CA C 40 52.786 52.786 54.108 -1.322 25433 569 1 3 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.462 0.006 25433 570 1 3 . 1 1 40 40 LEU H H 40 8.292 8.292 7.721 0.571 25433 571 1 3 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.503 -0.155 25433 572 1 3 . 1 1 41 41 PRO CA C 41 61.562 61.562 62.043 -0.481 25433 573 1 3 . 1 1 41 41 PRO CB C 41 32.340 32.340 32.422 -0.082 25433 574 1 4 . 1 1 7 7 ASN N N 7 121.300 121.300 120.014 1.286 25433 575 1 4 . 1 1 7 7 ASN CB C 7 30.000 30.000 37.833 -7.833 25433 576 1 4 . 1 1 7 7 ASN H H 7 8.535 8.535 8.085 0.450 25433 577 1 4 . 1 1 8 8 GLU N N 8 119.801 119.801 124.505 -4.704 25433 578 1 4 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.141 0.299 25433 579 1 4 . 1 1 8 8 GLU C C 8 175.693 175.693 176.641 -0.948 25433 580 1 4 . 1 1 8 8 GLU CA C 8 55.855 55.855 56.512 -0.657 25433 581 1 4 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.313 0.716 25433 582 1 4 . 1 1 8 8 GLU H H 8 8.372 8.372 8.074 0.298 25433 583 1 4 . 1 1 9 9 ASP N N 9 120.567 120.567 117.623 2.944 25433 584 1 4 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.344 0.383 25433 585 1 4 . 1 1 9 9 ASP C C 9 175.618 175.618 175.034 0.584 25433 586 1 4 . 1 1 9 9 ASP CA C 9 54.857 54.857 56.279 -1.423 25433 587 1 4 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.045 0.285 25433 588 1 4 . 1 1 9 9 ASP H H 9 8.158 8.158 8.203 -0.045 25433 589 1 4 . 1 1 10 10 TRP N N 10 116.757 116.757 116.136 0.621 25433 590 1 4 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.908 0.106 25433 591 1 4 . 1 1 10 10 TRP C C 10 173.732 173.732 173.736 -0.004 25433 592 1 4 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.815 -1.778 25433 593 1 4 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.269 1.101 25433 594 1 4 . 1 1 10 10 TRP H H 10 8.476 8.476 8.152 0.324 25433 595 1 4 . 1 1 11 11 LEU N N 11 122.486 122.486 125.894 -3.408 25433 596 1 4 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.120 -0.601 25433 597 1 4 . 1 1 11 11 LEU C C 11 176.547 176.547 176.526 0.021 25433 598 1 4 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.981 -0.664 25433 599 1 4 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.734 0.926 25433 600 1 4 . 1 1 11 11 LEU H H 11 8.810 8.810 8.367 0.443 25433 601 1 4 . 1 1 12 12 CYS N N 12 126.739 126.739 123.805 2.934 25433 602 1 4 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.704 -0.117 25433 603 1 4 . 1 1 12 12 CYS C C 12 177.636 177.636 175.727 1.909 25433 604 1 4 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.056 0.450 25433 605 1 4 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.881 1.449 25433 606 1 4 . 1 1 12 12 CYS H H 12 8.574 8.574 8.442 0.132 25433 607 1 4 . 1 1 13 13 ASN N N 13 127.516 127.516 121.346 6.170 25433 608 1 4 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.798 -0.264 25433 609 1 4 . 1 1 13 13 ASN C C 13 175.471 175.471 176.057 -0.586 25433 610 1 4 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.990 -0.018 25433 611 1 4 . 1 1 13 13 ASN CB C 13 38.776 38.776 39.194 -0.418 25433 612 1 4 . 1 1 13 13 ASN H H 13 9.229 9.229 8.750 0.479 25433 613 1 4 . 1 1 14 14 LYS N N 14 120.919 120.919 120.605 0.314 25433 614 1 4 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.305 0.054 25433 615 1 4 . 1 1 14 14 LYS C C 14 178.199 178.199 177.961 0.238 25433 616 1 4 . 1 1 14 14 LYS CA C 14 57.428 57.428 57.968 -0.540 25433 617 1 4 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.315 0.391 25433 618 1 4 . 1 1 14 14 LYS H H 14 9.274 9.274 8.446 0.828 25433 619 1 4 . 1 1 15 15 CYS N N 15 119.236 119.236 113.339 5.897 25433 620 1 4 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.770 -0.048 25433 621 1 4 . 1 1 15 15 CYS CB C 15 32.353 32.353 28.620 3.733 25433 622 1 4 . 1 1 15 15 CYS H H 15 9.014 9.014 8.163 0.851 25433 623 1 4 . 1 1 16 16 GLY N N 16 110.235 110.235 111.596 -1.361 25433 624 1 4 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.123 1.172 25433 625 1 4 . 1 1 16 16 GLY H H 16 7.817 7.817 8.201 -0.384 25433 626 1 4 . 1 1 17 17 VAL N N 17 121.337 121.337 113.493 7.844 25433 627 1 4 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.423 -0.173 25433 628 1 4 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.292 0.832 25433 629 1 4 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.673 -0.281 25433 630 1 4 . 1 1 17 17 VAL H H 17 8.220 8.220 7.157 1.063 25433 631 1 4 . 1 1 18 18 GLN N N 18 121.310 121.310 123.593 -2.283 25433 632 1 4 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.347 0.006 25433 633 1 4 . 1 1 18 18 GLN C C 18 174.823 174.823 175.134 -0.311 25433 634 1 4 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.377 0.931 25433 635 1 4 . 1 1 18 18 GLN CB C 18 29.505 29.505 29.774 -0.269 25433 636 1 4 . 1 1 18 18 GLN H H 18 8.218 8.218 8.512 -0.294 25433 637 1 4 . 1 1 19 19 ASN N N 19 122.482 122.482 123.763 -1.281 25433 638 1 4 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.825 -0.335 25433 639 1 4 . 1 1 19 19 ASN C C 19 173.360 173.360 173.614 -0.254 25433 640 1 4 . 1 1 19 19 ASN CA C 19 52.058 52.058 52.140 -0.082 25433 641 1 4 . 1 1 19 19 ASN CB C 19 43.372 43.372 38.523 4.849 25433 642 1 4 . 1 1 19 19 ASN H H 19 9.041 9.041 8.151 0.890 25433 643 1 4 . 1 1 20 20 PHE N N 20 117.484 117.484 119.714 -2.230 25433 644 1 4 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.702 -0.044 25433 645 1 4 . 1 1 20 20 PHE C C 20 176.810 176.810 175.474 1.336 25433 646 1 4 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.255 0.531 25433 647 1 4 . 1 1 20 20 PHE CB C 20 40.003 40.003 38.621 1.382 25433 648 1 4 . 1 1 20 20 PHE H H 20 7.846 7.846 8.088 -0.242 25433 649 1 4 . 1 1 21 21 LYS N N 21 120.464 120.464 119.489 0.975 25433 650 1 4 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.666 0.462 25433 651 1 4 . 1 1 21 21 LYS C C 21 176.254 176.254 177.461 -1.207 25433 652 1 4 . 1 1 21 21 LYS CA C 21 58.878 58.878 59.182 -0.304 25433 653 1 4 . 1 1 21 21 LYS CB C 21 32.334 32.334 29.908 2.426 25433 654 1 4 . 1 1 21 21 LYS H H 21 8.516 8.516 8.344 0.172 25433 655 1 4 . 1 1 22 22 ARG N N 22 112.820 112.820 120.999 -8.179 25433 656 1 4 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.102 0.127 25433 657 1 4 . 1 1 22 22 ARG C C 22 176.851 176.851 176.650 0.201 25433 658 1 4 . 1 1 22 22 ARG CA C 22 56.426 56.426 56.946 -0.520 25433 659 1 4 . 1 1 22 22 ARG CB C 22 29.732 29.732 30.098 -0.366 25433 660 1 4 . 1 1 22 22 ARG H H 22 7.125 7.125 7.904 -0.779 25433 661 1 4 . 1 1 23 23 ARG N N 23 119.307 119.307 120.761 -1.454 25433 662 1 4 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.256 0.126 25433 663 1 4 . 1 1 23 23 ARG C C 23 177.143 177.143 177.300 -0.157 25433 664 1 4 . 1 1 23 23 ARG CA C 23 57.037 57.037 56.200 0.837 25433 665 1 4 . 1 1 23 23 ARG CB C 23 30.944 30.944 28.746 2.198 25433 666 1 4 . 1 1 23 23 ARG H H 23 8.349 8.349 7.959 0.390 25433 667 1 4 . 1 1 24 24 GLU N N 24 120.195 120.195 124.829 -4.634 25433 668 1 4 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.064 0.200 25433 669 1 4 . 1 1 24 24 GLU C C 24 176.371 176.371 176.633 -0.262 25433 670 1 4 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.847 -2.872 25433 671 1 4 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.306 0.513 25433 672 1 4 . 1 1 24 24 GLU H H 24 8.967 8.967 8.683 0.284 25433 673 1 4 . 1 1 25 25 LYS N N 25 116.632 116.632 116.616 0.016 25433 674 1 4 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.134 -0.228 25433 675 1 4 . 1 1 25 25 LYS C C 25 174.820 174.820 176.365 -1.545 25433 676 1 4 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.618 -0.554 25433 677 1 4 . 1 1 25 25 LYS CB C 25 35.743 35.743 35.144 0.599 25433 678 1 4 . 1 1 25 25 LYS H H 25 7.862 7.862 7.853 0.009 25433 679 1 4 . 1 1 26 26 CYS N N 26 124.535 124.535 120.879 3.656 25433 680 1 4 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.381 -0.200 25433 681 1 4 . 1 1 26 26 CYS C C 26 178.895 178.895 177.253 1.642 25433 682 1 4 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.906 -1.732 25433 683 1 4 . 1 1 26 26 CYS CB C 26 30.942 30.942 26.843 4.099 25433 684 1 4 . 1 1 26 26 CYS H H 26 8.678 8.678 8.584 0.094 25433 685 1 4 . 1 1 27 27 PHE N N 27 129.286 129.286 125.330 3.956 25433 686 1 4 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.211 0.139 25433 687 1 4 . 1 1 27 27 PHE C C 27 174.408 174.408 175.801 -1.393 25433 688 1 4 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.652 -0.926 25433 689 1 4 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.285 0.139 25433 690 1 4 . 1 1 27 27 PHE H H 27 9.344 9.344 8.927 0.417 25433 691 1 4 . 1 1 28 28 LYS N N 28 124.525 124.525 115.243 9.282 25433 692 1 4 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.256 -0.193 25433 693 1 4 . 1 1 28 28 LYS C C 28 177.362 177.362 177.106 0.256 25433 694 1 4 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.120 1.124 25433 695 1 4 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.693 1.617 25433 696 1 4 . 1 1 28 28 LYS H H 28 8.765 8.765 7.386 1.379 25433 697 1 4 . 1 1 29 29 CYS N N 29 117.596 117.596 118.439 -0.843 25433 698 1 4 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.606 0.191 25433 699 1 4 . 1 1 29 29 CYS C C 29 177.501 177.501 175.897 1.604 25433 700 1 4 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.321 -0.400 25433 701 1 4 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.903 5.185 25433 702 1 4 . 1 1 29 29 CYS H H 29 8.357 8.357 8.050 0.307 25433 703 1 4 . 1 1 30 30 GLY N N 30 110.623 110.623 109.359 1.264 25433 704 1 4 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.494 0.641 25433 705 1 4 . 1 1 30 30 GLY H H 30 7.519 7.519 7.868 -0.349 25433 706 1 4 . 1 1 31 31 VAL N N 31 122.592 122.592 120.419 2.173 25433 707 1 4 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.336 0.012 25433 708 1 4 . 1 1 31 31 VAL CA C 31 61.591 61.591 58.984 2.607 25433 709 1 4 . 1 1 31 31 VAL CB C 31 32.238 32.238 32.398 -0.160 25433 710 1 4 . 1 1 31 31 VAL H H 31 8.120 8.120 7.902 0.218 25433 711 1 4 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.487 0.163 25433 712 1 4 . 1 1 32 32 PRO C C 32 176.413 176.413 177.632 -1.219 25433 713 1 4 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.578 0.194 25433 714 1 4 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.469 0.181 25433 715 1 4 . 1 1 33 33 LYS N N 33 122.957 122.957 122.521 0.436 25433 716 1 4 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.733 0.376 25433 717 1 4 . 1 1 33 33 LYS C C 33 176.726 176.726 177.710 -0.984 25433 718 1 4 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.274 -0.915 25433 719 1 4 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.565 1.135 25433 720 1 4 . 1 1 33 33 LYS H H 33 7.956 7.956 8.170 -0.214 25433 721 1 4 . 1 1 34 34 SER N N 34 112.323 112.323 110.521 1.802 25433 722 1 4 . 1 1 34 34 SER HA H 34 4.138 4.138 4.180 -0.042 25433 723 1 4 . 1 1 34 34 SER C C 34 175.141 175.141 175.109 0.032 25433 724 1 4 . 1 1 34 34 SER CA C 34 59.160 59.160 59.732 -0.572 25433 725 1 4 . 1 1 34 34 SER CB C 34 62.820 62.820 62.312 0.508 25433 726 1 4 . 1 1 34 34 SER H H 34 8.139 8.139 8.205 -0.066 25433 727 1 4 . 1 1 35 35 GLU N N 35 120.171 120.171 119.039 1.132 25433 728 1 4 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.285 -0.034 25433 729 1 4 . 1 1 35 35 GLU C C 35 176.796 176.796 176.242 0.554 25433 730 1 4 . 1 1 35 35 GLU CA C 35 56.589 56.589 57.047 -0.458 25433 731 1 4 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.417 0.167 25433 732 1 4 . 1 1 35 35 GLU H H 35 7.750 7.750 7.466 0.284 25433 733 1 4 . 1 1 36 36 ALA N N 36 122.364 122.364 122.405 -0.041 25433 734 1 4 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.287 -0.015 25433 735 1 4 . 1 1 36 36 ALA C C 36 177.942 177.942 178.024 -0.082 25433 736 1 4 . 1 1 36 36 ALA CA C 36 52.881 52.881 53.002 -0.121 25433 737 1 4 . 1 1 36 36 ALA CB C 36 20.587 20.587 19.809 0.778 25433 738 1 4 . 1 1 36 36 ALA H H 36 8.216 8.216 7.004 1.212 25433 739 1 4 . 1 1 37 37 GLU N N 37 117.040 117.040 120.074 -3.034 25433 740 1 4 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.499 -0.146 25433 741 1 4 . 1 1 37 37 GLU C C 37 176.592 176.592 176.029 0.563 25433 742 1 4 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.190 1.285 25433 743 1 4 . 1 1 37 37 GLU CB C 37 30.170 30.170 31.681 -1.511 25433 744 1 4 . 1 1 37 37 GLU H H 37 8.161 8.161 7.940 0.221 25433 745 1 4 . 1 1 38 38 GLN N N 38 120.895 120.895 120.119 0.776 25433 746 1 4 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.180 0.074 25433 747 1 4 . 1 1 38 38 GLN C C 38 175.615 175.615 175.866 -0.251 25433 748 1 4 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.284 -0.595 25433 749 1 4 . 1 1 38 38 GLN CB C 38 29.560 29.560 28.975 0.585 25433 750 1 4 . 1 1 38 38 GLN H H 38 8.262 8.262 8.607 -0.345 25433 751 1 4 . 1 1 39 39 LYS N N 39 122.996 122.996 122.634 0.362 25433 752 1 4 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.262 0.034 25433 753 1 4 . 1 1 39 39 LYS C C 39 176.240 176.240 175.678 0.562 25433 754 1 4 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.747 0.048 25433 755 1 4 . 1 1 39 39 LYS CB C 39 32.981 32.981 33.042 -0.062 25433 756 1 4 . 1 1 39 39 LYS H H 39 8.416 8.416 8.210 0.206 25433 757 1 4 . 1 1 40 40 LEU N N 40 123.709 123.709 122.222 1.487 25433 758 1 4 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.669 -0.094 25433 759 1 4 . 1 1 40 40 LEU CA C 40 52.786 52.786 52.957 -0.171 25433 760 1 4 . 1 1 40 40 LEU CB C 40 41.468 41.468 42.787 -1.319 25433 761 1 4 . 1 1 40 40 LEU H H 40 8.292 8.292 8.693 -0.401 25433 762 1 4 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.409 -0.061 25433 763 1 4 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.676 -2.114 25433 764 1 4 . 1 1 41 41 PRO CB C 41 32.340 32.340 32.156 0.185 25433 765 1 5 . 1 1 7 7 ASN N N 7 121.300 121.300 119.182 2.118 25433 766 1 5 . 1 1 7 7 ASN CB C 7 30.000 30.000 38.322 -8.322 25433 767 1 5 . 1 1 7 7 ASN H H 7 8.535 8.535 8.158 0.377 25433 768 1 5 . 1 1 8 8 GLU N N 8 119.801 119.801 123.509 -3.708 25433 769 1 5 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.527 -0.087 25433 770 1 5 . 1 1 8 8 GLU C C 8 175.693 175.693 176.339 -0.646 25433 771 1 5 . 1 1 8 8 GLU CA C 8 55.855 55.855 55.721 0.133 25433 772 1 5 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.662 0.367 25433 773 1 5 . 1 1 8 8 GLU H H 8 8.372 8.372 7.768 0.604 25433 774 1 5 . 1 1 9 9 ASP N N 9 120.567 120.567 121.002 -0.435 25433 775 1 5 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.632 0.095 25433 776 1 5 . 1 1 9 9 ASP C C 9 175.618 175.618 176.363 -0.745 25433 777 1 5 . 1 1 9 9 ASP CA C 9 54.857 54.857 56.014 -1.157 25433 778 1 5 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.033 0.297 25433 779 1 5 . 1 1 9 9 ASP H H 9 8.158 8.158 8.071 0.087 25433 780 1 5 . 1 1 10 10 TRP N N 10 116.757 116.757 121.846 -5.089 25433 781 1 5 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.935 0.079 25433 782 1 5 . 1 1 10 10 TRP C C 10 173.732 173.732 173.826 -0.094 25433 783 1 5 . 1 1 10 10 TRP CA C 10 54.037 54.037 54.912 -0.875 25433 784 1 5 . 1 1 10 10 TRP CB C 10 31.370 31.370 31.539 -0.169 25433 785 1 5 . 1 1 10 10 TRP H H 10 8.476 8.476 8.760 -0.284 25433 786 1 5 . 1 1 11 11 LEU N N 11 122.486 122.486 124.555 -2.069 25433 787 1 5 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.815 -0.296 25433 788 1 5 . 1 1 11 11 LEU C C 11 176.547 176.547 176.122 0.425 25433 789 1 5 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.874 -0.557 25433 790 1 5 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.903 0.757 25433 791 1 5 . 1 1 11 11 LEU H H 11 8.810 8.810 8.606 0.204 25433 792 1 5 . 1 1 12 12 CYS N N 12 126.739 126.739 124.685 2.054 25433 793 1 5 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.790 -0.203 25433 794 1 5 . 1 1 12 12 CYS C C 12 177.636 177.636 175.774 1.862 25433 795 1 5 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.229 0.277 25433 796 1 5 . 1 1 12 12 CYS CB C 12 31.330 31.330 30.129 1.201 25433 797 1 5 . 1 1 12 12 CYS H H 12 8.574 8.574 8.588 -0.014 25433 798 1 5 . 1 1 13 13 ASN N N 13 127.516 127.516 124.320 3.196 25433 799 1 5 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.655 -0.121 25433 800 1 5 . 1 1 13 13 ASN C C 13 175.471 175.471 175.709 -0.238 25433 801 1 5 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.856 0.116 25433 802 1 5 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.373 0.403 25433 803 1 5 . 1 1 13 13 ASN H H 13 9.229 9.229 8.991 0.238 25433 804 1 5 . 1 1 14 14 LYS N N 14 120.919 120.919 119.880 1.039 25433 805 1 5 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.438 -0.079 25433 806 1 5 . 1 1 14 14 LYS C C 14 178.199 178.199 178.179 0.020 25433 807 1 5 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.055 -0.627 25433 808 1 5 . 1 1 14 14 LYS CB C 14 32.706 32.706 33.228 -0.522 25433 809 1 5 . 1 1 14 14 LYS H H 14 9.274 9.274 8.022 1.252 25433 810 1 5 . 1 1 15 15 CYS N N 15 119.236 119.236 114.399 4.837 25433 811 1 5 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.436 0.286 25433 812 1 5 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.344 5.009 25433 813 1 5 . 1 1 15 15 CYS H H 15 9.014 9.014 8.020 0.994 25433 814 1 5 . 1 1 16 16 GLY N N 16 110.235 110.235 110.923 -0.688 25433 815 1 5 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.194 1.101 25433 816 1 5 . 1 1 16 16 GLY H H 16 7.817 7.817 8.052 -0.235 25433 817 1 5 . 1 1 17 17 VAL N N 17 121.337 121.337 114.675 6.662 25433 818 1 5 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.451 -0.201 25433 819 1 5 . 1 1 17 17 VAL CA C 17 61.124 61.124 59.756 1.368 25433 820 1 5 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.965 -0.573 25433 821 1 5 . 1 1 17 17 VAL H H 17 8.220 8.220 7.179 1.041 25433 822 1 5 . 1 1 18 18 GLN N N 18 121.310 121.310 123.926 -2.616 25433 823 1 5 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.799 -0.446 25433 824 1 5 . 1 1 18 18 GLN C C 18 174.823 174.823 176.268 -1.445 25433 825 1 5 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.667 0.641 25433 826 1 5 . 1 1 18 18 GLN CB C 18 29.505 29.505 29.639 -0.134 25433 827 1 5 . 1 1 18 18 GLN H H 18 8.218 8.218 8.510 -0.292 25433 828 1 5 . 1 1 19 19 ASN N N 19 122.482 122.482 123.929 -1.447 25433 829 1 5 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.623 -0.133 25433 830 1 5 . 1 1 19 19 ASN C C 19 173.360 173.360 175.509 -2.149 25433 831 1 5 . 1 1 19 19 ASN CA C 19 52.058 52.058 52.029 0.029 25433 832 1 5 . 1 1 19 19 ASN CB C 19 43.372 43.372 38.469 4.902 25433 833 1 5 . 1 1 19 19 ASN H H 19 9.041 9.041 7.684 1.357 25433 834 1 5 . 1 1 20 20 PHE N N 20 117.484 117.484 120.379 -2.895 25433 835 1 5 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.491 0.167 25433 836 1 5 . 1 1 20 20 PHE C C 20 176.810 176.810 175.164 1.646 25433 837 1 5 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.395 0.391 25433 838 1 5 . 1 1 20 20 PHE CB C 20 40.003 40.003 37.671 2.332 25433 839 1 5 . 1 1 20 20 PHE H H 20 7.846 7.846 8.444 -0.598 25433 840 1 5 . 1 1 21 21 LYS N N 21 120.464 120.464 115.824 4.640 25433 841 1 5 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.960 0.168 25433 842 1 5 . 1 1 21 21 LYS C C 21 176.254 176.254 175.399 0.855 25433 843 1 5 . 1 1 21 21 LYS CA C 21 58.878 58.878 57.696 1.182 25433 844 1 5 . 1 1 21 21 LYS CB C 21 32.334 32.334 29.979 2.355 25433 845 1 5 . 1 1 21 21 LYS H H 21 8.516 8.516 7.635 0.881 25433 846 1 5 . 1 1 22 22 ARG N N 22 112.820 112.820 116.859 -4.039 25433 847 1 5 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.361 -0.132 25433 848 1 5 . 1 1 22 22 ARG C C 22 176.851 176.851 175.618 1.233 25433 849 1 5 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.748 0.677 25433 850 1 5 . 1 1 22 22 ARG CB C 22 29.732 29.732 31.151 -1.419 25433 851 1 5 . 1 1 22 22 ARG H H 22 7.125 7.125 8.161 -1.036 25433 852 1 5 . 1 1 23 23 ARG N N 23 119.307 119.307 122.489 -3.182 25433 853 1 5 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.301 0.081 25433 854 1 5 . 1 1 23 23 ARG C C 23 177.143 177.143 177.284 -0.141 25433 855 1 5 . 1 1 23 23 ARG CA C 23 57.037 57.037 56.345 0.692 25433 856 1 5 . 1 1 23 23 ARG CB C 23 30.944 30.944 29.017 1.927 25433 857 1 5 . 1 1 23 23 ARG H H 23 8.349 8.349 8.486 -0.137 25433 858 1 5 . 1 1 24 24 GLU N N 24 120.195 120.195 125.280 -5.085 25433 859 1 5 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.018 0.246 25433 860 1 5 . 1 1 24 24 GLU C C 24 176.371 176.371 176.983 -0.612 25433 861 1 5 . 1 1 24 24 GLU CA C 24 56.975 56.975 60.069 -3.094 25433 862 1 5 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.150 0.669 25433 863 1 5 . 1 1 24 24 GLU H H 24 8.967 8.967 8.877 0.090 25433 864 1 5 . 1 1 25 25 LYS N N 25 116.632 116.632 116.978 -0.346 25433 865 1 5 . 1 1 25 25 LYS HA H 25 4.906 4.906 4.916 -0.010 25433 866 1 5 . 1 1 25 25 LYS C C 25 174.820 174.820 176.689 -1.869 25433 867 1 5 . 1 1 25 25 LYS CA C 25 54.064 54.064 55.236 -1.172 25433 868 1 5 . 1 1 25 25 LYS CB C 25 35.743 35.743 34.132 1.611 25433 869 1 5 . 1 1 25 25 LYS H H 25 7.862 7.862 7.944 -0.082 25433 870 1 5 . 1 1 26 26 CYS N N 26 124.535 124.535 119.522 5.013 25433 871 1 5 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.590 -0.409 25433 872 1 5 . 1 1 26 26 CYS C C 26 178.895 178.895 176.396 2.499 25433 873 1 5 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.848 -1.674 25433 874 1 5 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.655 3.287 25433 875 1 5 . 1 1 26 26 CYS H H 26 8.678 8.678 8.547 0.131 25433 876 1 5 . 1 1 27 27 PHE N N 27 129.286 129.286 123.520 5.766 25433 877 1 5 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.317 0.033 25433 878 1 5 . 1 1 27 27 PHE C C 27 174.408 174.408 175.606 -1.198 25433 879 1 5 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.134 -0.408 25433 880 1 5 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.163 0.261 25433 881 1 5 . 1 1 27 27 PHE H H 27 9.344 9.344 9.120 0.224 25433 882 1 5 . 1 1 28 28 LYS N N 28 124.525 124.525 114.898 9.627 25433 883 1 5 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.234 -0.171 25433 884 1 5 . 1 1 28 28 LYS C C 28 177.362 177.362 176.612 0.750 25433 885 1 5 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.334 0.910 25433 886 1 5 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.368 1.942 25433 887 1 5 . 1 1 28 28 LYS H H 28 8.765 8.765 7.477 1.288 25433 888 1 5 . 1 1 29 29 CYS N N 29 117.596 117.596 119.316 -1.720 25433 889 1 5 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.609 0.188 25433 890 1 5 . 1 1 29 29 CYS C C 29 177.501 177.501 175.271 2.230 25433 891 1 5 . 1 1 29 29 CYS CA C 29 58.921 58.921 58.852 0.069 25433 892 1 5 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.945 5.144 25433 893 1 5 . 1 1 29 29 CYS H H 29 8.357 8.357 8.281 0.076 25433 894 1 5 . 1 1 30 30 GLY N N 30 110.623 110.623 108.803 1.820 25433 895 1 5 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.886 0.249 25433 896 1 5 . 1 1 30 30 GLY H H 30 7.519 7.519 7.553 -0.034 25433 897 1 5 . 1 1 31 31 VAL N N 31 122.592 122.592 120.708 1.884 25433 898 1 5 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.390 -0.042 25433 899 1 5 . 1 1 31 31 VAL CA C 31 61.591 61.591 58.607 2.984 25433 900 1 5 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.117 -0.879 25433 901 1 5 . 1 1 31 31 VAL H H 31 8.120 8.120 7.903 0.217 25433 902 1 5 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.547 0.103 25433 903 1 5 . 1 1 32 32 PRO C C 32 176.413 176.413 177.057 -0.644 25433 904 1 5 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.432 0.340 25433 905 1 5 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.444 0.207 25433 906 1 5 . 1 1 33 33 LYS N N 33 122.957 122.957 123.985 -1.028 25433 907 1 5 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.787 0.322 25433 908 1 5 . 1 1 33 33 LYS C C 33 176.726 176.726 178.039 -1.313 25433 909 1 5 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.476 -1.117 25433 910 1 5 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.586 1.114 25433 911 1 5 . 1 1 33 33 LYS H H 33 7.956 7.956 8.282 -0.326 25433 912 1 5 . 1 1 34 34 SER N N 34 112.323 112.323 112.587 -0.264 25433 913 1 5 . 1 1 34 34 SER HA H 34 4.138 4.138 4.145 -0.007 25433 914 1 5 . 1 1 34 34 SER C C 34 175.141 175.141 176.027 -0.886 25433 915 1 5 . 1 1 34 34 SER CA C 34 59.160 59.160 61.062 -1.902 25433 916 1 5 . 1 1 34 34 SER CB C 34 62.820 62.820 62.749 0.071 25433 917 1 5 . 1 1 34 34 SER H H 34 8.139 8.139 8.188 -0.049 25433 918 1 5 . 1 1 35 35 GLU N N 35 120.171 120.171 120.792 -0.621 25433 919 1 5 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.220 0.031 25433 920 1 5 . 1 1 35 35 GLU C C 35 176.796 176.796 177.216 -0.420 25433 921 1 5 . 1 1 35 35 GLU CA C 35 56.589 56.589 57.636 -1.047 25433 922 1 5 . 1 1 35 35 GLU CB C 35 30.584 30.584 29.706 0.878 25433 923 1 5 . 1 1 35 35 GLU H H 35 7.750 7.750 7.481 0.269 25433 924 1 5 . 1 1 36 36 ALA N N 36 122.364 122.364 121.459 0.905 25433 925 1 5 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.240 0.032 25433 926 1 5 . 1 1 36 36 ALA C C 36 177.942 177.942 178.196 -0.254 25433 927 1 5 . 1 1 36 36 ALA CA C 36 52.881 52.881 53.204 -0.323 25433 928 1 5 . 1 1 36 36 ALA CB C 36 20.587 20.587 19.266 1.321 25433 929 1 5 . 1 1 36 36 ALA H H 36 8.216 8.216 7.086 1.130 25433 930 1 5 . 1 1 37 37 GLU N N 37 117.040 117.040 118.977 -1.937 25433 931 1 5 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.272 0.081 25433 932 1 5 . 1 1 37 37 GLU C C 37 176.592 176.592 176.400 0.192 25433 933 1 5 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.332 1.143 25433 934 1 5 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.121 0.049 25433 935 1 5 . 1 1 37 37 GLU H H 37 8.161 8.161 7.863 0.298 25433 936 1 5 . 1 1 38 38 GLN N N 38 120.895 120.895 122.964 -2.069 25433 937 1 5 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.247 0.008 25433 938 1 5 . 1 1 38 38 GLN C C 38 175.615 175.615 176.107 -0.492 25433 939 1 5 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.438 -0.749 25433 940 1 5 . 1 1 38 38 GLN CB C 38 29.560 29.560 27.433 2.127 25433 941 1 5 . 1 1 38 38 GLN H H 38 8.262 8.262 8.507 -0.245 25433 942 1 5 . 1 1 39 39 LYS N N 39 122.996 122.996 122.768 0.228 25433 943 1 5 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.446 -0.150 25433 944 1 5 . 1 1 39 39 LYS C C 39 176.240 176.240 176.171 0.069 25433 945 1 5 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.581 0.214 25433 946 1 5 . 1 1 39 39 LYS CB C 39 32.981 32.981 33.365 -0.385 25433 947 1 5 . 1 1 39 39 LYS H H 39 8.416 8.416 7.985 0.431 25433 948 1 5 . 1 1 40 40 LEU N N 40 123.709 123.709 122.670 1.039 25433 949 1 5 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.591 -0.016 25433 950 1 5 . 1 1 40 40 LEU CA C 40 52.786 52.786 52.926 -0.140 25433 951 1 5 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.625 -0.157 25433 952 1 5 . 1 1 40 40 LEU H H 40 8.292 8.292 8.298 -0.006 25433 953 1 5 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.304 0.044 25433 954 1 5 . 1 1 41 41 PRO CA C 41 61.562 61.562 64.021 -2.459 25433 955 1 5 . 1 1 41 41 PRO CB C 41 32.340 32.340 31.272 1.068 25433 956 1 6 . 1 1 7 7 ASN N N 7 121.300 121.300 125.215 -3.915 25433 957 1 6 . 1 1 7 7 ASN CB C 7 30.000 30.000 38.375 -8.375 25433 958 1 6 . 1 1 7 7 ASN H H 7 8.535 8.535 8.715 -0.180 25433 959 1 6 . 1 1 8 8 GLU N N 8 119.801 119.801 123.880 -4.079 25433 960 1 6 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.245 0.195 25433 961 1 6 . 1 1 8 8 GLU C C 8 175.693 175.693 176.319 -0.626 25433 962 1 6 . 1 1 8 8 GLU CA C 8 55.855 55.855 56.748 -0.893 25433 963 1 6 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.052 0.977 25433 964 1 6 . 1 1 8 8 GLU H H 8 8.372 8.372 8.427 -0.055 25433 965 1 6 . 1 1 9 9 ASP N N 9 120.567 120.567 117.752 2.815 25433 966 1 6 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.364 0.363 25433 967 1 6 . 1 1 9 9 ASP C C 9 175.618 175.618 174.836 0.782 25433 968 1 6 . 1 1 9 9 ASP CA C 9 54.857 54.857 55.363 -0.506 25433 969 1 6 . 1 1 9 9 ASP CB C 9 41.330 41.330 40.425 0.905 25433 970 1 6 . 1 1 9 9 ASP H H 9 8.158 8.158 7.759 0.399 25433 971 1 6 . 1 1 10 10 TRP N N 10 116.757 116.757 121.160 -4.403 25433 972 1 6 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.877 0.137 25433 973 1 6 . 1 1 10 10 TRP C C 10 173.732 173.732 174.198 -0.466 25433 974 1 6 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.407 -1.369 25433 975 1 6 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.085 1.285 25433 976 1 6 . 1 1 10 10 TRP H H 10 8.476 8.476 8.120 0.356 25433 977 1 6 . 1 1 11 11 LEU N N 11 122.486 122.486 127.141 -4.655 25433 978 1 6 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.652 -0.133 25433 979 1 6 . 1 1 11 11 LEU C C 11 176.547 176.547 176.674 -0.127 25433 980 1 6 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.574 -0.257 25433 981 1 6 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.629 1.031 25433 982 1 6 . 1 1 11 11 LEU H H 11 8.810 8.810 8.435 0.375 25433 983 1 6 . 1 1 12 12 CYS N N 12 126.739 126.739 124.791 1.948 25433 984 1 6 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.707 -0.120 25433 985 1 6 . 1 1 12 12 CYS C C 12 177.636 177.636 176.063 1.573 25433 986 1 6 . 1 1 12 12 CYS CA C 12 59.506 59.506 58.966 0.540 25433 987 1 6 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.523 1.807 25433 988 1 6 . 1 1 12 12 CYS H H 12 8.574 8.574 8.717 -0.143 25433 989 1 6 . 1 1 13 13 ASN N N 13 127.516 127.516 122.930 4.586 25433 990 1 6 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.766 -0.232 25433 991 1 6 . 1 1 13 13 ASN C C 13 175.471 175.471 175.813 -0.342 25433 992 1 6 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.951 0.021 25433 993 1 6 . 1 1 13 13 ASN CB C 13 38.776 38.776 39.080 -0.304 25433 994 1 6 . 1 1 13 13 ASN H H 13 9.229 9.229 8.946 0.283 25433 995 1 6 . 1 1 14 14 LYS N N 14 120.919 120.919 120.028 0.891 25433 996 1 6 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.440 -0.081 25433 997 1 6 . 1 1 14 14 LYS C C 14 178.199 178.199 177.949 0.250 25433 998 1 6 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.275 -0.847 25433 999 1 6 . 1 1 14 14 LYS CB C 14 32.706 32.706 33.252 -0.546 25433 1000 1 6 . 1 1 14 14 LYS H H 14 9.274 9.274 8.280 0.994 25433 1001 1 6 . 1 1 15 15 CYS N N 15 119.236 119.236 113.424 5.812 25433 1002 1 6 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.710 0.012 25433 1003 1 6 . 1 1 15 15 CYS CB C 15 32.353 32.353 28.596 3.757 25433 1004 1 6 . 1 1 15 15 CYS H H 15 9.014 9.014 7.952 1.062 25433 1005 1 6 . 1 1 16 16 GLY N N 16 110.235 110.235 111.502 -1.267 25433 1006 1 6 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.167 1.128 25433 1007 1 6 . 1 1 16 16 GLY H H 16 7.817 7.817 8.071 -0.254 25433 1008 1 6 . 1 1 17 17 VAL N N 17 121.337 121.337 114.334 7.003 25433 1009 1 6 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.498 -0.248 25433 1010 1 6 . 1 1 17 17 VAL CA C 17 61.124 61.124 59.785 1.339 25433 1011 1 6 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.665 -0.273 25433 1012 1 6 . 1 1 17 17 VAL H H 17 8.220 8.220 7.475 0.745 25433 1013 1 6 . 1 1 18 18 GLN N N 18 121.310 121.310 121.715 -0.405 25433 1014 1 6 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.331 0.022 25433 1015 1 6 . 1 1 18 18 GLN C C 18 174.823 174.823 174.147 0.676 25433 1016 1 6 . 1 1 18 18 GLN CA C 18 55.308 55.308 55.097 0.211 25433 1017 1 6 . 1 1 18 18 GLN CB C 18 29.505 29.505 30.329 -0.824 25433 1018 1 6 . 1 1 18 18 GLN H H 18 8.218 8.218 8.456 -0.238 25433 1019 1 6 . 1 1 19 19 ASN N N 19 122.482 122.482 123.748 -1.266 25433 1020 1 6 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.926 -0.436 25433 1021 1 6 . 1 1 19 19 ASN C C 19 173.360 173.360 173.203 0.157 25433 1022 1 6 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.974 0.084 25433 1023 1 6 . 1 1 19 19 ASN CB C 19 43.372 43.372 40.306 3.066 25433 1024 1 6 . 1 1 19 19 ASN H H 19 9.041 9.041 8.078 0.963 25433 1025 1 6 . 1 1 20 20 PHE N N 20 117.484 117.484 119.597 -2.113 25433 1026 1 6 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.890 -0.232 25433 1027 1 6 . 1 1 20 20 PHE C C 20 176.810 176.810 175.743 1.067 25433 1028 1 6 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.920 -0.134 25433 1029 1 6 . 1 1 20 20 PHE CB C 20 40.003 40.003 42.300 -2.297 25433 1030 1 6 . 1 1 20 20 PHE H H 20 7.846 7.846 8.249 -0.403 25433 1031 1 6 . 1 1 21 21 LYS N N 21 120.464 120.464 124.324 -3.860 25433 1032 1 6 . 1 1 21 21 LYS HA H 21 4.128 4.128 4.539 -0.411 25433 1033 1 6 . 1 1 21 21 LYS C C 21 176.254 176.254 176.020 0.234 25433 1034 1 6 . 1 1 21 21 LYS CA C 21 58.878 58.878 57.706 1.172 25433 1035 1 6 . 1 1 21 21 LYS CB C 21 32.334 32.334 32.019 0.315 25433 1036 1 6 . 1 1 21 21 LYS H H 21 8.516 8.516 8.055 0.461 25433 1037 1 6 . 1 1 22 22 ARG N N 22 112.820 112.820 116.173 -3.353 25433 1038 1 6 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.493 -0.264 25433 1039 1 6 . 1 1 22 22 ARG C C 22 176.851 176.851 176.452 0.399 25433 1040 1 6 . 1 1 22 22 ARG CA C 22 56.426 56.426 54.608 1.818 25433 1041 1 6 . 1 1 22 22 ARG CB C 22 29.732 29.732 29.908 -0.176 25433 1042 1 6 . 1 1 22 22 ARG H H 22 7.125 7.125 8.150 -1.025 25433 1043 1 6 . 1 1 23 23 ARG N N 23 119.307 119.307 121.597 -2.290 25433 1044 1 6 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.573 -0.191 25433 1045 1 6 . 1 1 23 23 ARG C C 23 177.143 177.143 176.478 0.665 25433 1046 1 6 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.659 1.378 25433 1047 1 6 . 1 1 23 23 ARG CB C 23 30.944 30.944 30.674 0.271 25433 1048 1 6 . 1 1 23 23 ARG H H 23 8.349 8.349 8.013 0.336 25433 1049 1 6 . 1 1 24 24 GLU N N 24 120.195 120.195 123.643 -3.448 25433 1050 1 6 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.094 0.170 25433 1051 1 6 . 1 1 24 24 GLU C C 24 176.371 176.371 176.580 -0.209 25433 1052 1 6 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.150 -2.175 25433 1053 1 6 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.263 0.556 25433 1054 1 6 . 1 1 24 24 GLU H H 24 8.967 8.967 8.757 0.210 25433 1055 1 6 . 1 1 25 25 LYS N N 25 116.632 116.632 115.602 1.030 25433 1056 1 6 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.140 -0.234 25433 1057 1 6 . 1 1 25 25 LYS C C 25 174.820 174.820 175.865 -1.045 25433 1058 1 6 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.080 -0.015 25433 1059 1 6 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.744 -1.001 25433 1060 1 6 . 1 1 25 25 LYS H H 25 7.862 7.862 7.812 0.050 25433 1061 1 6 . 1 1 26 26 CYS N N 26 124.535 124.535 118.103 6.432 25433 1062 1 6 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.865 -0.684 25433 1063 1 6 . 1 1 26 26 CYS C C 26 178.895 178.895 177.402 1.493 25433 1064 1 6 . 1 1 26 26 CYS CA C 26 59.174 59.174 61.118 -1.944 25433 1065 1 6 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.357 3.585 25433 1066 1 6 . 1 1 26 26 CYS H H 26 8.678 8.678 8.667 0.011 25433 1067 1 6 . 1 1 27 27 PHE N N 27 129.286 129.286 122.201 7.085 25433 1068 1 6 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.326 0.024 25433 1069 1 6 . 1 1 27 27 PHE C C 27 174.408 174.408 175.809 -1.401 25433 1070 1 6 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.104 -0.378 25433 1071 1 6 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.395 0.028 25433 1072 1 6 . 1 1 27 27 PHE H H 27 9.344 9.344 8.579 0.765 25433 1073 1 6 . 1 1 28 28 LYS N N 28 124.525 124.525 113.586 10.939 25433 1074 1 6 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.278 -0.215 25433 1075 1 6 . 1 1 28 28 LYS C C 28 177.362 177.362 176.190 1.172 25433 1076 1 6 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.373 0.871 25433 1077 1 6 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.337 1.973 25433 1078 1 6 . 1 1 28 28 LYS H H 28 8.765 8.765 7.490 1.275 25433 1079 1 6 . 1 1 29 29 CYS N N 29 117.596 117.596 119.431 -1.835 25433 1080 1 6 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.579 0.218 25433 1081 1 6 . 1 1 29 29 CYS C C 29 177.501 177.501 175.584 1.917 25433 1082 1 6 . 1 1 29 29 CYS CA C 29 58.921 58.921 58.884 0.037 25433 1083 1 6 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.832 5.256 25433 1084 1 6 . 1 1 29 29 CYS H H 29 8.357 8.357 8.247 0.110 25433 1085 1 6 . 1 1 30 30 GLY N N 30 110.623 110.623 109.383 1.240 25433 1086 1 6 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.571 0.564 25433 1087 1 6 . 1 1 30 30 GLY H H 30 7.519 7.519 7.756 -0.237 25433 1088 1 6 . 1 1 31 31 VAL N N 31 122.592 122.592 119.981 2.611 25433 1089 1 6 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.297 0.051 25433 1090 1 6 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.016 2.575 25433 1091 1 6 . 1 1 31 31 VAL CB C 31 32.238 32.238 32.823 -0.585 25433 1092 1 6 . 1 1 31 31 VAL H H 31 8.120 8.120 7.986 0.134 25433 1093 1 6 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.577 0.073 25433 1094 1 6 . 1 1 32 32 PRO C C 32 176.413 176.413 177.379 -0.966 25433 1095 1 6 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.613 0.159 25433 1096 1 6 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.191 0.459 25433 1097 1 6 . 1 1 33 33 LYS N N 33 122.957 122.957 125.126 -2.169 25433 1098 1 6 . 1 1 33 33 LYS HA H 33 3.109 3.109 3.120 -0.011 25433 1099 1 6 . 1 1 33 33 LYS C C 33 176.726 176.726 177.825 -1.099 25433 1100 1 6 . 1 1 33 33 LYS CA C 33 58.359 58.359 58.927 -0.568 25433 1101 1 6 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.562 1.138 25433 1102 1 6 . 1 1 33 33 LYS H H 33 7.956 7.956 8.333 -0.377 25433 1103 1 6 . 1 1 34 34 SER N N 34 112.323 112.323 113.340 -1.017 25433 1104 1 6 . 1 1 34 34 SER HA H 34 4.138 4.138 4.096 0.042 25433 1105 1 6 . 1 1 34 34 SER C C 34 175.141 175.141 175.311 -0.170 25433 1106 1 6 . 1 1 34 34 SER CA C 34 59.160 59.160 61.644 -2.484 25433 1107 1 6 . 1 1 34 34 SER CB C 34 62.820 62.820 62.871 -0.051 25433 1108 1 6 . 1 1 34 34 SER H H 34 8.139 8.139 8.433 -0.294 25433 1109 1 6 . 1 1 35 35 GLU N N 35 120.171 120.171 118.554 1.617 25433 1110 1 6 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.397 -0.146 25433 1111 1 6 . 1 1 35 35 GLU C C 35 176.796 176.796 176.212 0.584 25433 1112 1 6 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.407 0.182 25433 1113 1 6 . 1 1 35 35 GLU CB C 35 30.584 30.584 29.328 1.256 25433 1114 1 6 . 1 1 35 35 GLU H H 35 7.750 7.750 7.488 0.262 25433 1115 1 6 . 1 1 36 36 ALA N N 36 122.364 122.364 121.302 1.062 25433 1116 1 6 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.460 -0.188 25433 1117 1 6 . 1 1 36 36 ALA C C 36 177.942 177.942 177.946 -0.004 25433 1118 1 6 . 1 1 36 36 ALA CA C 36 52.881 52.881 52.771 0.110 25433 1119 1 6 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.767 -0.180 25433 1120 1 6 . 1 1 36 36 ALA H H 36 8.216 8.216 7.419 0.797 25433 1121 1 6 . 1 1 37 37 GLU N N 37 117.040 117.040 120.087 -3.047 25433 1122 1 6 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.410 -0.057 25433 1123 1 6 . 1 1 37 37 GLU C C 37 176.592 176.592 176.365 0.227 25433 1124 1 6 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.832 0.643 25433 1125 1 6 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.603 -0.433 25433 1126 1 6 . 1 1 37 37 GLU H H 37 8.161 8.161 7.938 0.223 25433 1127 1 6 . 1 1 38 38 GLN N N 38 120.895 120.895 119.332 1.563 25433 1128 1 6 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.214 0.040 25433 1129 1 6 . 1 1 38 38 GLN C C 38 175.615 175.615 175.357 0.258 25433 1130 1 6 . 1 1 38 38 GLN CA C 38 55.689 55.689 55.743 -0.054 25433 1131 1 6 . 1 1 38 38 GLN CB C 38 29.560 29.560 29.259 0.301 25433 1132 1 6 . 1 1 38 38 GLN H H 38 8.262 8.262 8.357 -0.095 25433 1133 1 6 . 1 1 39 39 LYS N N 39 122.996 122.996 119.496 3.500 25433 1134 1 6 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.167 0.129 25433 1135 1 6 . 1 1 39 39 LYS C C 39 176.240 176.240 176.443 -0.203 25433 1136 1 6 . 1 1 39 39 LYS CA C 39 55.795 55.795 56.388 -0.593 25433 1137 1 6 . 1 1 39 39 LYS CB C 39 32.981 32.981 32.215 0.766 25433 1138 1 6 . 1 1 39 39 LYS H H 39 8.416 8.416 8.352 0.064 25433 1139 1 6 . 1 1 40 40 LEU N N 40 123.709 123.709 126.889 -3.180 25433 1140 1 6 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.567 0.008 25433 1141 1 6 . 1 1 40 40 LEU CA C 40 52.786 52.786 52.413 0.374 25433 1142 1 6 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.922 -0.454 25433 1143 1 6 . 1 1 40 40 LEU H H 40 8.292 8.292 8.550 -0.258 25433 1144 1 6 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.377 -0.029 25433 1145 1 6 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.244 -1.682 25433 1146 1 6 . 1 1 41 41 PRO CB C 41 32.340 32.340 30.940 1.400 25433 1147 1 7 . 1 1 7 7 ASN N N 7 121.300 121.300 120.250 1.050 25433 1148 1 7 . 1 1 7 7 ASN CB C 7 30.000 30.000 38.192 -8.192 25433 1149 1 7 . 1 1 7 7 ASN H H 7 8.535 8.535 7.897 0.638 25433 1150 1 7 . 1 1 8 8 GLU N N 8 119.801 119.801 123.932 -4.131 25433 1151 1 7 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.191 0.249 25433 1152 1 7 . 1 1 8 8 GLU C C 8 175.693 175.693 176.477 -0.784 25433 1153 1 7 . 1 1 8 8 GLU CA C 8 55.855 55.855 56.790 -0.935 25433 1154 1 7 . 1 1 8 8 GLU CB C 8 31.029 31.029 29.974 1.054 25433 1155 1 7 . 1 1 8 8 GLU H H 8 8.372 8.372 8.515 -0.143 25433 1156 1 7 . 1 1 9 9 ASP N N 9 120.567 120.567 118.871 1.696 25433 1157 1 7 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.392 0.335 25433 1158 1 7 . 1 1 9 9 ASP C C 9 175.618 175.618 175.835 -0.217 25433 1159 1 7 . 1 1 9 9 ASP CA C 9 54.857 54.857 55.768 -0.911 25433 1160 1 7 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.363 -0.033 25433 1161 1 7 . 1 1 9 9 ASP H H 9 8.158 8.158 8.177 -0.019 25433 1162 1 7 . 1 1 10 10 TRP N N 10 116.757 116.757 118.155 -1.398 25433 1163 1 7 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.842 0.172 25433 1164 1 7 . 1 1 10 10 TRP C C 10 173.732 173.732 173.726 0.006 25433 1165 1 7 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.392 -1.355 25433 1166 1 7 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.631 0.739 25433 1167 1 7 . 1 1 10 10 TRP H H 10 8.476 8.476 7.691 0.785 25433 1168 1 7 . 1 1 11 11 LEU N N 11 122.486 122.486 124.242 -1.756 25433 1169 1 7 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.108 -0.589 25433 1170 1 7 . 1 1 11 11 LEU C C 11 176.547 176.547 176.379 0.168 25433 1171 1 7 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.123 0.194 25433 1172 1 7 . 1 1 11 11 LEU CB C 11 43.660 43.660 43.278 0.382 25433 1173 1 7 . 1 1 11 11 LEU H H 11 8.810 8.810 8.591 0.219 25433 1174 1 7 . 1 1 12 12 CYS N N 12 126.739 126.739 125.759 0.980 25433 1175 1 7 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.646 -0.059 25433 1176 1 7 . 1 1 12 12 CYS C C 12 177.636 177.636 175.213 2.423 25433 1177 1 7 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.423 0.083 25433 1178 1 7 . 1 1 12 12 CYS CB C 12 31.330 31.330 28.946 2.384 25433 1179 1 7 . 1 1 12 12 CYS H H 12 8.574 8.574 8.605 -0.031 25433 1180 1 7 . 1 1 13 13 ASN N N 13 127.516 127.516 124.526 2.990 25433 1181 1 7 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.854 -0.320 25433 1182 1 7 . 1 1 13 13 ASN C C 13 175.471 175.471 175.066 0.405 25433 1183 1 7 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.103 0.869 25433 1184 1 7 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.419 0.357 25433 1185 1 7 . 1 1 13 13 ASN H H 13 9.229 9.229 9.006 0.223 25433 1186 1 7 . 1 1 14 14 LYS N N 14 120.919 120.919 120.055 0.864 25433 1187 1 7 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.568 -0.209 25433 1188 1 7 . 1 1 14 14 LYS C C 14 178.199 178.199 177.807 0.392 25433 1189 1 7 . 1 1 14 14 LYS CA C 14 57.428 57.428 57.372 0.056 25433 1190 1 7 . 1 1 14 14 LYS CB C 14 32.706 32.706 34.339 -1.633 25433 1191 1 7 . 1 1 14 14 LYS H H 14 9.274 9.274 8.000 1.274 25433 1192 1 7 . 1 1 15 15 CYS N N 15 119.236 119.236 114.752 4.484 25433 1193 1 7 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.500 0.222 25433 1194 1 7 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.959 4.394 25433 1195 1 7 . 1 1 15 15 CYS H H 15 9.014 9.014 8.068 0.946 25433 1196 1 7 . 1 1 16 16 GLY N N 16 110.235 110.235 111.326 -1.091 25433 1197 1 7 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.628 0.667 25433 1198 1 7 . 1 1 16 16 GLY H H 16 7.817 7.817 8.075 -0.258 25433 1199 1 7 . 1 1 17 17 VAL N N 17 121.337 121.337 114.739 6.598 25433 1200 1 7 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.638 -0.388 25433 1201 1 7 . 1 1 17 17 VAL CA C 17 61.124 61.124 59.265 1.859 25433 1202 1 7 . 1 1 17 17 VAL CB C 17 33.392 33.392 34.648 -1.256 25433 1203 1 7 . 1 1 17 17 VAL H H 17 8.220 8.220 7.561 0.659 25433 1204 1 7 . 1 1 18 18 GLN N N 18 121.310 121.310 122.606 -1.296 25433 1205 1 7 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.749 -0.396 25433 1206 1 7 . 1 1 18 18 GLN C C 18 174.823 174.823 175.528 -0.705 25433 1207 1 7 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.547 0.761 25433 1208 1 7 . 1 1 18 18 GLN CB C 18 29.505 29.505 30.126 -0.621 25433 1209 1 7 . 1 1 18 18 GLN H H 18 8.218 8.218 8.497 -0.279 25433 1210 1 7 . 1 1 19 19 ASN N N 19 122.482 122.482 122.539 -0.057 25433 1211 1 7 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.798 -0.308 25433 1212 1 7 . 1 1 19 19 ASN C C 19 173.360 173.360 173.570 -0.210 25433 1213 1 7 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.671 0.387 25433 1214 1 7 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.083 4.289 25433 1215 1 7 . 1 1 19 19 ASN H H 19 9.041 9.041 8.008 1.033 25433 1216 1 7 . 1 1 20 20 PHE N N 20 117.484 117.484 120.164 -2.680 25433 1217 1 7 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.651 0.007 25433 1218 1 7 . 1 1 20 20 PHE C C 20 176.810 176.810 176.157 0.653 25433 1219 1 7 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.436 0.350 25433 1220 1 7 . 1 1 20 20 PHE CB C 20 40.003 40.003 38.012 1.991 25433 1221 1 7 . 1 1 20 20 PHE H H 20 7.846 7.846 8.206 -0.360 25433 1222 1 7 . 1 1 21 21 LYS N N 21 120.464 120.464 117.944 2.520 25433 1223 1 7 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.887 0.241 25433 1224 1 7 . 1 1 21 21 LYS C C 21 176.254 176.254 177.321 -1.067 25433 1225 1 7 . 1 1 21 21 LYS CA C 21 58.878 58.878 58.755 0.123 25433 1226 1 7 . 1 1 21 21 LYS CB C 21 32.334 32.334 29.791 2.543 25433 1227 1 7 . 1 1 21 21 LYS H H 21 8.516 8.516 7.680 0.836 25433 1228 1 7 . 1 1 22 22 ARG N N 22 112.820 112.820 122.370 -9.550 25433 1229 1 7 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.397 -0.168 25433 1230 1 7 . 1 1 22 22 ARG C C 22 176.851 176.851 175.647 1.204 25433 1231 1 7 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.518 0.908 25433 1232 1 7 . 1 1 22 22 ARG CB C 22 29.732 29.732 28.481 1.251 25433 1233 1 7 . 1 1 22 22 ARG H H 22 7.125 7.125 7.967 -0.842 25433 1234 1 7 . 1 1 23 23 ARG N N 23 119.307 119.307 120.488 -1.181 25433 1235 1 7 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.742 -0.360 25433 1236 1 7 . 1 1 23 23 ARG C C 23 177.143 177.143 176.100 1.043 25433 1237 1 7 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.039 1.998 25433 1238 1 7 . 1 1 23 23 ARG CB C 23 30.944 30.944 31.788 -0.844 25433 1239 1 7 . 1 1 23 23 ARG H H 23 8.349 8.349 7.847 0.502 25433 1240 1 7 . 1 1 24 24 GLU N N 24 120.195 120.195 124.694 -4.499 25433 1241 1 7 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.115 0.149 25433 1242 1 7 . 1 1 24 24 GLU C C 24 176.371 176.371 176.266 0.105 25433 1243 1 7 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.338 -2.363 25433 1244 1 7 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.380 0.439 25433 1245 1 7 . 1 1 24 24 GLU H H 24 8.967 8.967 9.083 -0.116 25433 1246 1 7 . 1 1 25 25 LYS N N 25 116.632 116.632 117.027 -0.395 25433 1247 1 7 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.272 -0.366 25433 1248 1 7 . 1 1 25 25 LYS C C 25 174.820 174.820 176.176 -1.356 25433 1249 1 7 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.401 -0.337 25433 1250 1 7 . 1 1 25 25 LYS CB C 25 35.743 35.743 35.875 -0.132 25433 1251 1 7 . 1 1 25 25 LYS H H 25 7.862 7.862 7.863 -0.001 25433 1252 1 7 . 1 1 26 26 CYS N N 26 124.535 124.535 120.015 4.520 25433 1253 1 7 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.465 -0.284 25433 1254 1 7 . 1 1 26 26 CYS C C 26 178.895 178.895 176.168 2.727 25433 1255 1 7 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.987 -1.813 25433 1256 1 7 . 1 1 26 26 CYS CB C 26 30.942 30.942 28.117 2.825 25433 1257 1 7 . 1 1 26 26 CYS H H 26 8.678 8.678 8.663 0.015 25433 1258 1 7 . 1 1 27 27 PHE N N 27 129.286 129.286 123.150 6.136 25433 1259 1 7 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.317 0.033 25433 1260 1 7 . 1 1 27 27 PHE C C 27 174.408 174.408 175.664 -1.256 25433 1261 1 7 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.185 -0.459 25433 1262 1 7 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.215 0.209 25433 1263 1 7 . 1 1 27 27 PHE H H 27 9.344 9.344 9.074 0.270 25433 1264 1 7 . 1 1 28 28 LYS N N 28 124.525 124.525 114.796 9.729 25433 1265 1 7 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.207 -0.144 25433 1266 1 7 . 1 1 28 28 LYS C C 28 177.362 177.362 176.638 0.724 25433 1267 1 7 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.290 0.954 25433 1268 1 7 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.467 1.843 25433 1269 1 7 . 1 1 28 28 LYS H H 28 8.765 8.765 7.448 1.317 25433 1270 1 7 . 1 1 29 29 CYS N N 29 117.596 117.596 118.838 -1.242 25433 1271 1 7 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.569 0.228 25433 1272 1 7 . 1 1 29 29 CYS C C 29 177.501 177.501 175.985 1.516 25433 1273 1 7 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.092 -0.171 25433 1274 1 7 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.568 5.520 25433 1275 1 7 . 1 1 29 29 CYS H H 29 8.357 8.357 8.081 0.276 25433 1276 1 7 . 1 1 30 30 GLY N N 30 110.623 110.623 109.537 1.086 25433 1277 1 7 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.728 0.407 25433 1278 1 7 . 1 1 30 30 GLY H H 30 7.519 7.519 7.674 -0.155 25433 1279 1 7 . 1 1 31 31 VAL N N 31 122.592 122.592 120.545 2.047 25433 1280 1 7 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.254 0.094 25433 1281 1 7 . 1 1 31 31 VAL CA C 31 61.591 61.591 60.003 1.588 25433 1282 1 7 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.086 -0.848 25433 1283 1 7 . 1 1 31 31 VAL H H 31 8.120 8.120 7.852 0.268 25433 1284 1 7 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.527 0.123 25433 1285 1 7 . 1 1 32 32 PRO C C 32 176.413 176.413 177.287 -0.874 25433 1286 1 7 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.795 -0.023 25433 1287 1 7 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.128 0.522 25433 1288 1 7 . 1 1 33 33 LYS N N 33 122.957 122.957 125.533 -2.576 25433 1289 1 7 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.895 0.214 25433 1290 1 7 . 1 1 33 33 LYS C C 33 176.726 176.726 177.120 -0.394 25433 1291 1 7 . 1 1 33 33 LYS CA C 33 58.359 58.359 58.337 0.022 25433 1292 1 7 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.377 1.323 25433 1293 1 7 . 1 1 33 33 LYS H H 33 7.956 7.956 8.143 -0.187 25433 1294 1 7 . 1 1 34 34 SER N N 34 112.323 112.323 112.946 -0.623 25433 1295 1 7 . 1 1 34 34 SER HA H 34 4.138 4.138 4.182 -0.044 25433 1296 1 7 . 1 1 34 34 SER C C 34 175.141 175.141 175.675 -0.534 25433 1297 1 7 . 1 1 34 34 SER CA C 34 59.160 59.160 61.015 -1.855 25433 1298 1 7 . 1 1 34 34 SER CB C 34 62.820 62.820 62.901 -0.081 25433 1299 1 7 . 1 1 34 34 SER H H 34 8.139 8.139 8.184 -0.045 25433 1300 1 7 . 1 1 35 35 GLU N N 35 120.171 120.171 119.251 0.920 25433 1301 1 7 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.260 -0.009 25433 1302 1 7 . 1 1 35 35 GLU C C 35 176.796 176.796 175.585 1.211 25433 1303 1 7 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.736 -0.147 25433 1304 1 7 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.166 0.418 25433 1305 1 7 . 1 1 35 35 GLU H H 35 7.750 7.750 7.645 0.105 25433 1306 1 7 . 1 1 36 36 ALA N N 36 122.364 122.364 121.630 0.734 25433 1307 1 7 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.456 -0.184 25433 1308 1 7 . 1 1 36 36 ALA C C 36 177.942 177.942 177.103 0.839 25433 1309 1 7 . 1 1 36 36 ALA CA C 36 52.881 52.881 51.186 1.695 25433 1310 1 7 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.798 -0.211 25433 1311 1 7 . 1 1 36 36 ALA H H 36 8.216 8.216 6.903 1.313 25433 1312 1 7 . 1 1 37 37 GLU N N 37 117.040 117.040 117.070 -0.030 25433 1313 1 7 . 1 1 37 37 GLU HA H 37 4.353 4.353 3.978 0.375 25433 1314 1 7 . 1 1 37 37 GLU C C 37 176.592 176.592 175.600 0.992 25433 1315 1 7 . 1 1 37 37 GLU CA C 37 56.475 56.475 57.225 -0.750 25433 1316 1 7 . 1 1 37 37 GLU CB C 37 30.170 30.170 29.558 0.612 25433 1317 1 7 . 1 1 37 37 GLU H H 37 8.161 8.161 8.716 -0.555 25433 1318 1 7 . 1 1 38 38 GLN N N 38 120.895 120.895 122.002 -1.107 25433 1319 1 7 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.504 -0.250 25433 1320 1 7 . 1 1 38 38 GLN C C 38 175.615 175.615 174.762 0.853 25433 1321 1 7 . 1 1 38 38 GLN CA C 38 55.689 55.689 55.359 0.330 25433 1322 1 7 . 1 1 38 38 GLN CB C 38 29.560 29.560 29.204 0.356 25433 1323 1 7 . 1 1 38 38 GLN H H 38 8.262 8.262 8.532 -0.270 25433 1324 1 7 . 1 1 39 39 LYS N N 39 122.996 122.996 123.751 -0.755 25433 1325 1 7 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.639 -0.343 25433 1326 1 7 . 1 1 39 39 LYS C C 39 176.240 176.240 175.782 0.458 25433 1327 1 7 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.212 0.583 25433 1328 1 7 . 1 1 39 39 LYS CB C 39 32.981 32.981 34.020 -1.039 25433 1329 1 7 . 1 1 39 39 LYS H H 39 8.416 8.416 8.474 -0.058 25433 1330 1 7 . 1 1 40 40 LEU N N 40 123.709 123.709 123.618 0.091 25433 1331 1 7 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.547 0.028 25433 1332 1 7 . 1 1 40 40 LEU CA C 40 52.786 52.786 53.319 -0.533 25433 1333 1 7 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.691 -0.223 25433 1334 1 7 . 1 1 40 40 LEU H H 40 8.292 8.292 8.427 -0.135 25433 1335 1 7 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.464 -0.116 25433 1336 1 7 . 1 1 41 41 PRO CA C 41 61.562 61.562 62.999 -1.437 25433 1337 1 7 . 1 1 41 41 PRO CB C 41 32.340 32.340 30.152 2.188 25433 1338 1 8 . 1 1 7 7 ASN N N 7 121.300 121.300 117.975 3.325 25433 1339 1 8 . 1 1 7 7 ASN CB C 7 30.000 30.000 37.496 -7.496 25433 1340 1 8 . 1 1 7 7 ASN H H 7 8.535 8.535 8.371 0.164 25433 1341 1 8 . 1 1 8 8 GLU N N 8 119.801 119.801 120.701 -0.900 25433 1342 1 8 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.258 0.182 25433 1343 1 8 . 1 1 8 8 GLU C C 8 175.693 175.693 176.208 -0.515 25433 1344 1 8 . 1 1 8 8 GLU CA C 8 55.855 55.855 57.423 -1.568 25433 1345 1 8 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.017 1.012 25433 1346 1 8 . 1 1 8 8 GLU H H 8 8.372 8.372 8.524 -0.152 25433 1347 1 8 . 1 1 9 9 ASP N N 9 120.567 120.567 118.285 2.282 25433 1348 1 8 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.405 0.322 25433 1349 1 8 . 1 1 9 9 ASP C C 9 175.618 175.618 175.986 -0.368 25433 1350 1 8 . 1 1 9 9 ASP CA C 9 54.857 54.857 54.337 0.520 25433 1351 1 8 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.071 0.259 25433 1352 1 8 . 1 1 9 9 ASP H H 9 8.158 8.158 7.825 0.333 25433 1353 1 8 . 1 1 10 10 TRP N N 10 116.757 116.757 118.453 -1.696 25433 1354 1 8 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.997 0.017 25433 1355 1 8 . 1 1 10 10 TRP C C 10 173.732 173.732 173.561 0.171 25433 1356 1 8 . 1 1 10 10 TRP CA C 10 54.037 54.037 54.552 -0.515 25433 1357 1 8 . 1 1 10 10 TRP CB C 10 31.370 31.370 31.032 0.338 25433 1358 1 8 . 1 1 10 10 TRP H H 10 8.476 8.476 8.446 0.030 25433 1359 1 8 . 1 1 11 11 LEU N N 11 122.486 122.486 123.319 -0.833 25433 1360 1 8 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.017 -0.498 25433 1361 1 8 . 1 1 11 11 LEU C C 11 176.547 176.547 176.543 0.004 25433 1362 1 8 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.489 -0.172 25433 1363 1 8 . 1 1 11 11 LEU CB C 11 43.660 43.660 43.109 0.550 25433 1364 1 8 . 1 1 11 11 LEU H H 11 8.810 8.810 8.456 0.354 25433 1365 1 8 . 1 1 12 12 CYS N N 12 126.739 126.739 124.673 2.066 25433 1366 1 8 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.669 -0.082 25433 1367 1 8 . 1 1 12 12 CYS C C 12 177.636 177.636 175.962 1.674 25433 1368 1 8 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.325 0.181 25433 1369 1 8 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.836 1.494 25433 1370 1 8 . 1 1 12 12 CYS H H 12 8.574 8.574 8.522 0.052 25433 1371 1 8 . 1 1 13 13 ASN N N 13 127.516 127.516 122.920 4.596 25433 1372 1 8 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.639 -0.105 25433 1373 1 8 . 1 1 13 13 ASN C C 13 175.471 175.471 175.629 -0.158 25433 1374 1 8 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.715 0.257 25433 1375 1 8 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.481 0.295 25433 1376 1 8 . 1 1 13 13 ASN H H 13 9.229 9.229 8.911 0.318 25433 1377 1 8 . 1 1 14 14 LYS N N 14 120.919 120.919 120.821 0.098 25433 1378 1 8 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.410 -0.051 25433 1379 1 8 . 1 1 14 14 LYS C C 14 178.199 178.199 178.194 0.005 25433 1380 1 8 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.338 -0.910 25433 1381 1 8 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.981 -0.275 25433 1382 1 8 . 1 1 14 14 LYS H H 14 9.274 9.274 8.262 1.012 25433 1383 1 8 . 1 1 15 15 CYS N N 15 119.236 119.236 114.077 5.159 25433 1384 1 8 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.611 0.111 25433 1385 1 8 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.905 4.448 25433 1386 1 8 . 1 1 15 15 CYS H H 15 9.014 9.014 7.953 1.061 25433 1387 1 8 . 1 1 16 16 GLY N N 16 110.235 110.235 111.148 -0.913 25433 1388 1 8 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.157 1.138 25433 1389 1 8 . 1 1 16 16 GLY H H 16 7.817 7.817 8.060 -0.243 25433 1390 1 8 . 1 1 17 17 VAL N N 17 121.337 121.337 115.419 5.918 25433 1391 1 8 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.235 0.015 25433 1392 1 8 . 1 1 17 17 VAL CA C 17 61.124 61.124 61.740 -0.616 25433 1393 1 8 . 1 1 17 17 VAL CB C 17 33.392 33.392 32.880 0.512 25433 1394 1 8 . 1 1 17 17 VAL H H 17 8.220 8.220 7.175 1.045 25433 1395 1 8 . 1 1 18 18 GLN N N 18 121.310 121.310 127.044 -5.734 25433 1396 1 8 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.407 -0.054 25433 1397 1 8 . 1 1 18 18 GLN C C 18 174.823 174.823 175.497 -0.674 25433 1398 1 8 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.965 0.343 25433 1399 1 8 . 1 1 18 18 GLN CB C 18 29.505 29.505 28.991 0.514 25433 1400 1 8 . 1 1 18 18 GLN H H 18 8.218 8.218 8.622 -0.404 25433 1401 1 8 . 1 1 19 19 ASN N N 19 122.482 122.482 124.064 -1.582 25433 1402 1 8 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.669 -0.179 25433 1403 1 8 . 1 1 19 19 ASN C C 19 173.360 173.360 174.451 -1.091 25433 1404 1 8 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.657 0.400 25433 1405 1 8 . 1 1 19 19 ASN CB C 19 43.372 43.372 38.554 4.818 25433 1406 1 8 . 1 1 19 19 ASN H H 19 9.041 9.041 7.683 1.358 25433 1407 1 8 . 1 1 20 20 PHE N N 20 117.484 117.484 120.631 -3.147 25433 1408 1 8 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.419 0.239 25433 1409 1 8 . 1 1 20 20 PHE C C 20 176.810 176.810 175.263 1.547 25433 1410 1 8 . 1 1 20 20 PHE CA C 20 56.786 56.786 55.916 0.870 25433 1411 1 8 . 1 1 20 20 PHE CB C 20 40.003 40.003 37.937 2.066 25433 1412 1 8 . 1 1 20 20 PHE H H 20 7.846 7.846 8.293 -0.447 25433 1413 1 8 . 1 1 21 21 LYS N N 21 120.464 120.464 118.513 1.951 25433 1414 1 8 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.685 0.443 25433 1415 1 8 . 1 1 21 21 LYS C C 21 176.254 176.254 177.253 -0.999 25433 1416 1 8 . 1 1 21 21 LYS CA C 21 58.878 58.878 58.671 0.207 25433 1417 1 8 . 1 1 21 21 LYS CB C 21 32.334 32.334 29.961 2.373 25433 1418 1 8 . 1 1 21 21 LYS H H 21 8.516 8.516 7.657 0.859 25433 1419 1 8 . 1 1 22 22 ARG N N 22 112.820 112.820 123.696 -10.876 25433 1420 1 8 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.426 -0.197 25433 1421 1 8 . 1 1 22 22 ARG C C 22 176.851 176.851 175.840 1.011 25433 1422 1 8 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.408 1.018 25433 1423 1 8 . 1 1 22 22 ARG CB C 22 29.732 29.732 28.389 1.343 25433 1424 1 8 . 1 1 22 22 ARG H H 22 7.125 7.125 7.880 -0.755 25433 1425 1 8 . 1 1 23 23 ARG N N 23 119.307 119.307 120.484 -1.177 25433 1426 1 8 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.732 -0.350 25433 1427 1 8 . 1 1 23 23 ARG C C 23 177.143 177.143 175.938 1.205 25433 1428 1 8 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.418 1.619 25433 1429 1 8 . 1 1 23 23 ARG CB C 23 30.944 30.944 31.835 -0.891 25433 1430 1 8 . 1 1 23 23 ARG H H 23 8.349 8.349 7.784 0.565 25433 1431 1 8 . 1 1 24 24 GLU N N 24 120.195 120.195 122.337 -2.142 25433 1432 1 8 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.293 -0.029 25433 1433 1 8 . 1 1 24 24 GLU C C 24 176.371 176.371 176.840 -0.469 25433 1434 1 8 . 1 1 24 24 GLU CA C 24 56.975 56.975 57.715 -0.740 25433 1435 1 8 . 1 1 24 24 GLU CB C 24 30.819 30.819 29.916 0.903 25433 1436 1 8 . 1 1 24 24 GLU H H 24 8.967 8.967 9.092 -0.125 25433 1437 1 8 . 1 1 25 25 LYS N N 25 116.632 116.632 117.303 -0.671 25433 1438 1 8 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.263 -0.357 25433 1439 1 8 . 1 1 25 25 LYS C C 25 174.820 174.820 176.174 -1.354 25433 1440 1 8 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.105 -0.041 25433 1441 1 8 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.477 -0.734 25433 1442 1 8 . 1 1 25 25 LYS H H 25 7.862 7.862 7.867 -0.005 25433 1443 1 8 . 1 1 26 26 CYS N N 26 124.535 124.535 119.881 4.654 25433 1444 1 8 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.695 -0.514 25433 1445 1 8 . 1 1 26 26 CYS C C 26 178.895 178.895 176.866 2.029 25433 1446 1 8 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.587 -1.413 25433 1447 1 8 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.706 3.236 25433 1448 1 8 . 1 1 26 26 CYS H H 26 8.678 8.678 8.771 -0.093 25433 1449 1 8 . 1 1 27 27 PHE N N 27 129.286 129.286 123.401 5.885 25433 1450 1 8 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.352 -0.002 25433 1451 1 8 . 1 1 27 27 PHE C C 27 174.408 174.408 175.676 -1.268 25433 1452 1 8 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.047 -0.321 25433 1453 1 8 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.285 0.139 25433 1454 1 8 . 1 1 27 27 PHE H H 27 9.344 9.344 9.094 0.250 25433 1455 1 8 . 1 1 28 28 LYS N N 28 124.525 124.525 114.601 9.924 25433 1456 1 8 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.248 -0.185 25433 1457 1 8 . 1 1 28 28 LYS C C 28 177.362 177.362 176.512 0.850 25433 1458 1 8 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.346 0.898 25433 1459 1 8 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.566 1.744 25433 1460 1 8 . 1 1 28 28 LYS H H 28 8.765 8.765 7.470 1.295 25433 1461 1 8 . 1 1 29 29 CYS N N 29 117.596 117.596 119.353 -1.757 25433 1462 1 8 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.572 0.225 25433 1463 1 8 . 1 1 29 29 CYS C C 29 177.501 177.501 174.943 2.558 25433 1464 1 8 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.042 -0.121 25433 1465 1 8 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.069 5.019 25433 1466 1 8 . 1 1 29 29 CYS H H 29 8.357 8.357 8.253 0.104 25433 1467 1 8 . 1 1 30 30 GLY N N 30 110.623 110.623 109.546 1.077 25433 1468 1 8 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.466 0.669 25433 1469 1 8 . 1 1 30 30 GLY H H 30 7.519 7.519 7.559 -0.040 25433 1470 1 8 . 1 1 31 31 VAL N N 31 122.592 122.592 120.731 1.861 25433 1471 1 8 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.439 -0.091 25433 1472 1 8 . 1 1 31 31 VAL CA C 31 61.591 61.591 58.409 3.182 25433 1473 1 8 . 1 1 31 31 VAL CB C 31 32.238 32.238 34.716 -2.478 25433 1474 1 8 . 1 1 31 31 VAL H H 31 8.120 8.120 8.112 0.008 25433 1475 1 8 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.621 0.029 25433 1476 1 8 . 1 1 32 32 PRO C C 32 176.413 176.413 176.740 -0.327 25433 1477 1 8 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.592 0.180 25433 1478 1 8 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.089 0.561 25433 1479 1 8 . 1 1 33 33 LYS N N 33 122.957 122.957 125.942 -2.985 25433 1480 1 8 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.728 0.381 25433 1481 1 8 . 1 1 33 33 LYS C C 33 176.726 176.726 177.909 -1.183 25433 1482 1 8 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.608 -1.249 25433 1483 1 8 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.743 0.957 25433 1484 1 8 . 1 1 33 33 LYS H H 33 7.956 7.956 8.207 -0.251 25433 1485 1 8 . 1 1 34 34 SER N N 34 112.323 112.323 113.379 -1.056 25433 1486 1 8 . 1 1 34 34 SER HA H 34 4.138 4.138 4.090 0.048 25433 1487 1 8 . 1 1 34 34 SER C C 34 175.141 175.141 175.603 -0.462 25433 1488 1 8 . 1 1 34 34 SER CA C 34 59.160 59.160 61.638 -2.478 25433 1489 1 8 . 1 1 34 34 SER CB C 34 62.820 62.820 62.747 0.073 25433 1490 1 8 . 1 1 34 34 SER H H 34 8.139 8.139 8.418 -0.279 25433 1491 1 8 . 1 1 35 35 GLU N N 35 120.171 120.171 118.321 1.850 25433 1492 1 8 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.358 -0.107 25433 1493 1 8 . 1 1 35 35 GLU C C 35 176.796 176.796 176.958 -0.162 25433 1494 1 8 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.612 -0.023 25433 1495 1 8 . 1 1 35 35 GLU CB C 35 30.584 30.584 29.807 0.777 25433 1496 1 8 . 1 1 35 35 GLU H H 35 7.750 7.750 7.501 0.249 25433 1497 1 8 . 1 1 36 36 ALA N N 36 122.364 122.364 120.716 1.648 25433 1498 1 8 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.719 -0.447 25433 1499 1 8 . 1 1 36 36 ALA C C 36 177.942 177.942 177.935 0.007 25433 1500 1 8 . 1 1 36 36 ALA CA C 36 52.881 52.881 52.720 0.161 25433 1501 1 8 . 1 1 36 36 ALA CB C 36 20.587 20.587 19.538 1.049 25433 1502 1 8 . 1 1 36 36 ALA H H 36 8.216 8.216 7.270 0.946 25433 1503 1 8 . 1 1 37 37 GLU N N 37 117.040 117.040 119.575 -2.535 25433 1504 1 8 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.235 0.118 25433 1505 1 8 . 1 1 37 37 GLU C C 37 176.592 176.592 175.723 0.869 25433 1506 1 8 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.814 0.661 25433 1507 1 8 . 1 1 37 37 GLU CB C 37 30.170 30.170 29.913 0.257 25433 1508 1 8 . 1 1 37 37 GLU H H 37 8.161 8.161 7.669 0.492 25433 1509 1 8 . 1 1 38 38 GLN N N 38 120.895 120.895 126.155 -5.260 25433 1510 1 8 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.049 0.205 25433 1511 1 8 . 1 1 38 38 GLN C C 38 175.615 175.615 175.909 -0.294 25433 1512 1 8 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.792 -1.103 25433 1513 1 8 . 1 1 38 38 GLN CB C 38 29.560 29.560 27.911 1.649 25433 1514 1 8 . 1 1 38 38 GLN H H 38 8.262 8.262 8.651 -0.389 25433 1515 1 8 . 1 1 39 39 LYS N N 39 122.996 122.996 123.913 -0.917 25433 1516 1 8 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.017 0.279 25433 1517 1 8 . 1 1 39 39 LYS C C 39 176.240 176.240 174.958 1.282 25433 1518 1 8 . 1 1 39 39 LYS CA C 39 55.795 55.795 56.586 -0.791 25433 1519 1 8 . 1 1 39 39 LYS CB C 39 32.981 32.981 32.735 0.246 25433 1520 1 8 . 1 1 39 39 LYS H H 39 8.416 8.416 7.989 0.427 25433 1521 1 8 . 1 1 40 40 LEU N N 40 123.709 123.709 125.325 -1.616 25433 1522 1 8 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.363 0.212 25433 1523 1 8 . 1 1 40 40 LEU CA C 40 52.786 52.786 54.053 -1.267 25433 1524 1 8 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.563 -0.095 25433 1525 1 8 . 1 1 40 40 LEU H H 40 8.292 8.292 8.442 -0.150 25433 1526 1 8 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.469 -0.121 25433 1527 1 8 . 1 1 41 41 PRO CA C 41 61.562 61.562 62.649 -1.087 25433 1528 1 8 . 1 1 41 41 PRO CB C 41 32.340 32.340 31.959 0.381 25433 1529 1 9 . 1 1 7 7 ASN N N 7 121.300 121.300 119.911 1.389 25433 1530 1 9 . 1 1 7 7 ASN CB C 7 30.000 30.000 39.271 -9.271 25433 1531 1 9 . 1 1 7 7 ASN H H 7 8.535 8.535 7.897 0.638 25433 1532 1 9 . 1 1 8 8 GLU N N 8 119.801 119.801 120.321 -0.520 25433 1533 1 9 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.394 0.046 25433 1534 1 9 . 1 1 8 8 GLU C C 8 175.693 175.693 174.887 0.806 25433 1535 1 9 . 1 1 8 8 GLU CA C 8 55.855 55.855 55.472 0.383 25433 1536 1 9 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.266 0.763 25433 1537 1 9 . 1 1 8 8 GLU H H 8 8.372 8.372 8.628 -0.256 25433 1538 1 9 . 1 1 9 9 ASP N N 9 120.567 120.567 121.775 -1.208 25433 1539 1 9 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.353 0.374 25433 1540 1 9 . 1 1 9 9 ASP C C 9 175.618 175.618 175.762 -0.144 25433 1541 1 9 . 1 1 9 9 ASP CA C 9 54.857 54.857 54.983 -0.126 25433 1542 1 9 . 1 1 9 9 ASP CB C 9 41.330 41.330 40.347 0.983 25433 1543 1 9 . 1 1 9 9 ASP H H 9 8.158 8.158 8.141 0.017 25433 1544 1 9 . 1 1 10 10 TRP N N 10 116.757 116.757 122.683 -5.926 25433 1545 1 9 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.804 0.210 25433 1546 1 9 . 1 1 10 10 TRP C C 10 173.732 173.732 174.445 -0.713 25433 1547 1 9 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.733 -1.696 25433 1548 1 9 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.051 1.319 25433 1549 1 9 . 1 1 10 10 TRP H H 10 8.476 8.476 7.657 0.819 25433 1550 1 9 . 1 1 11 11 LEU N N 11 122.486 122.486 124.939 -2.453 25433 1551 1 9 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.113 -0.594 25433 1552 1 9 . 1 1 11 11 LEU C C 11 176.547 176.547 176.525 0.022 25433 1553 1 9 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.232 0.085 25433 1554 1 9 . 1 1 11 11 LEU CB C 11 43.660 43.660 43.454 0.206 25433 1555 1 9 . 1 1 11 11 LEU H H 11 8.810 8.810 8.527 0.283 25433 1556 1 9 . 1 1 12 12 CYS N N 12 126.739 126.739 125.029 1.710 25433 1557 1 9 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.679 -0.092 25433 1558 1 9 . 1 1 12 12 CYS C C 12 177.636 177.636 175.170 2.466 25433 1559 1 9 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.280 0.226 25433 1560 1 9 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.454 1.875 25433 1561 1 9 . 1 1 12 12 CYS H H 12 8.574 8.574 8.960 -0.386 25433 1562 1 9 . 1 1 13 13 ASN N N 13 127.516 127.516 120.466 7.050 25433 1563 1 9 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.811 -0.277 25433 1564 1 9 . 1 1 13 13 ASN C C 13 175.471 175.471 175.480 -0.009 25433 1565 1 9 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.032 0.940 25433 1566 1 9 . 1 1 13 13 ASN CB C 13 38.776 38.776 39.050 -0.274 25433 1567 1 9 . 1 1 13 13 ASN H H 13 9.229 9.229 8.830 0.399 25433 1568 1 9 . 1 1 14 14 LYS N N 14 120.919 120.919 121.411 -0.492 25433 1569 1 9 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.415 -0.056 25433 1570 1 9 . 1 1 14 14 LYS C C 14 178.199 178.199 178.008 0.191 25433 1571 1 9 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.799 -1.371 25433 1572 1 9 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.937 -0.230 25433 1573 1 9 . 1 1 14 14 LYS H H 14 9.274 9.274 8.329 0.945 25433 1574 1 9 . 1 1 15 15 CYS N N 15 119.236 119.236 114.061 5.175 25433 1575 1 9 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.589 0.133 25433 1576 1 9 . 1 1 15 15 CYS CB C 15 32.353 32.353 28.331 4.022 25433 1577 1 9 . 1 1 15 15 CYS H H 15 9.014 9.014 8.000 1.014 25433 1578 1 9 . 1 1 16 16 GLY N N 16 110.235 110.235 111.438 -1.203 25433 1579 1 9 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.285 1.010 25433 1580 1 9 . 1 1 16 16 GLY H H 16 7.817 7.817 8.187 -0.370 25433 1581 1 9 . 1 1 17 17 VAL N N 17 121.337 121.337 116.546 4.791 25433 1582 1 9 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.528 -0.278 25433 1583 1 9 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.346 0.778 25433 1584 1 9 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.662 -0.270 25433 1585 1 9 . 1 1 17 17 VAL H H 17 8.220 8.220 7.612 0.608 25433 1586 1 9 . 1 1 18 18 GLN N N 18 121.310 121.310 120.547 0.763 25433 1587 1 9 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.454 -0.101 25433 1588 1 9 . 1 1 18 18 GLN C C 18 174.823 174.823 175.569 -0.746 25433 1589 1 9 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.511 0.797 25433 1590 1 9 . 1 1 18 18 GLN CB C 18 29.505 29.505 29.982 -0.477 25433 1591 1 9 . 1 1 18 18 GLN H H 18 8.218 8.218 8.340 -0.122 25433 1592 1 9 . 1 1 19 19 ASN N N 19 122.482 122.482 123.798 -1.316 25433 1593 1 9 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.530 -0.040 25433 1594 1 9 . 1 1 19 19 ASN C C 19 173.360 173.360 175.471 -2.111 25433 1595 1 9 . 1 1 19 19 ASN CA C 19 52.058 52.058 52.460 -0.402 25433 1596 1 9 . 1 1 19 19 ASN CB C 19 43.372 43.372 38.699 4.673 25433 1597 1 9 . 1 1 19 19 ASN H H 19 9.041 9.041 7.646 1.395 25433 1598 1 9 . 1 1 20 20 PHE N N 20 117.484 117.484 122.128 -4.644 25433 1599 1 9 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.478 0.180 25433 1600 1 9 . 1 1 20 20 PHE C C 20 176.810 176.810 175.534 1.276 25433 1601 1 9 . 1 1 20 20 PHE CA C 20 56.786 56.786 55.623 1.163 25433 1602 1 9 . 1 1 20 20 PHE CB C 20 40.003 40.003 37.226 2.777 25433 1603 1 9 . 1 1 20 20 PHE H H 20 7.846 7.846 8.650 -0.804 25433 1604 1 9 . 1 1 21 21 LYS N N 21 120.464 120.464 115.050 5.414 25433 1605 1 9 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.814 0.314 25433 1606 1 9 . 1 1 21 21 LYS C C 21 176.254 176.254 176.312 -0.058 25433 1607 1 9 . 1 1 21 21 LYS CA C 21 58.878 58.878 57.970 0.908 25433 1608 1 9 . 1 1 21 21 LYS CB C 21 32.334 32.334 30.326 2.008 25433 1609 1 9 . 1 1 21 21 LYS H H 21 8.516 8.516 7.516 1.000 25433 1610 1 9 . 1 1 22 22 ARG N N 22 112.820 112.820 116.370 -3.550 25433 1611 1 9 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.507 -0.278 25433 1612 1 9 . 1 1 22 22 ARG C C 22 176.851 176.851 176.648 0.203 25433 1613 1 9 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.934 0.492 25433 1614 1 9 . 1 1 22 22 ARG CB C 22 29.732 29.732 31.342 -1.610 25433 1615 1 9 . 1 1 22 22 ARG H H 22 7.125 7.125 7.834 -0.709 25433 1616 1 9 . 1 1 23 23 ARG N N 23 119.307 119.307 120.993 -1.686 25433 1617 1 9 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.691 -0.309 25433 1618 1 9 . 1 1 23 23 ARG C C 23 177.143 177.143 176.356 0.787 25433 1619 1 9 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.149 1.888 25433 1620 1 9 . 1 1 23 23 ARG CB C 23 30.944 30.944 30.817 0.127 25433 1621 1 9 . 1 1 23 23 ARG H H 23 8.349 8.349 8.367 -0.018 25433 1622 1 9 . 1 1 24 24 GLU N N 24 120.195 120.195 123.228 -3.033 25433 1623 1 9 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.309 -0.045 25433 1624 1 9 . 1 1 24 24 GLU C C 24 176.371 176.371 176.166 0.205 25433 1625 1 9 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.242 -2.267 25433 1626 1 9 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.169 0.650 25433 1627 1 9 . 1 1 24 24 GLU H H 24 8.967 8.967 8.988 -0.021 25433 1628 1 9 . 1 1 25 25 LYS N N 25 116.632 116.632 116.687 -0.055 25433 1629 1 9 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.247 -0.341 25433 1630 1 9 . 1 1 25 25 LYS C C 25 174.820 174.820 176.429 -1.609 25433 1631 1 9 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.227 -0.163 25433 1632 1 9 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.181 -0.438 25433 1633 1 9 . 1 1 25 25 LYS H H 25 7.862 7.862 7.591 0.271 25433 1634 1 9 . 1 1 26 26 CYS N N 26 124.535 124.535 119.342 5.193 25433 1635 1 9 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.595 -0.414 25433 1636 1 9 . 1 1 26 26 CYS C C 26 178.895 178.895 176.294 2.601 25433 1637 1 9 . 1 1 26 26 CYS CA C 26 59.174 59.174 61.026 -1.851 25433 1638 1 9 . 1 1 26 26 CYS CB C 26 30.942 30.942 28.160 2.782 25433 1639 1 9 . 1 1 26 26 CYS H H 26 8.678 8.678 8.675 0.003 25433 1640 1 9 . 1 1 27 27 PHE N N 27 129.286 129.286 123.257 6.029 25433 1641 1 9 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.317 0.033 25433 1642 1 9 . 1 1 27 27 PHE C C 27 174.408 174.408 175.683 -1.275 25433 1643 1 9 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.196 -0.470 25433 1644 1 9 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.393 0.031 25433 1645 1 9 . 1 1 27 27 PHE H H 27 9.344 9.344 9.304 0.040 25433 1646 1 9 . 1 1 28 28 LYS N N 28 124.525 124.525 114.991 9.534 25433 1647 1 9 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.115 -0.052 25433 1648 1 9 . 1 1 28 28 LYS C C 28 177.362 177.362 177.150 0.212 25433 1649 1 9 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.011 1.233 25433 1650 1 9 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.299 2.011 25433 1651 1 9 . 1 1 28 28 LYS H H 28 8.765 8.765 7.595 1.170 25433 1652 1 9 . 1 1 29 29 CYS N N 29 117.596 117.596 118.729 -1.133 25433 1653 1 9 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.526 0.271 25433 1654 1 9 . 1 1 29 29 CYS C C 29 177.501 177.501 176.010 1.491 25433 1655 1 9 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.359 -0.438 25433 1656 1 9 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.419 5.670 25433 1657 1 9 . 1 1 29 29 CYS H H 29 8.357 8.357 8.178 0.179 25433 1658 1 9 . 1 1 30 30 GLY N N 30 110.623 110.623 108.774 1.849 25433 1659 1 9 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.873 0.262 25433 1660 1 9 . 1 1 30 30 GLY H H 30 7.519 7.519 7.703 -0.184 25433 1661 1 9 . 1 1 31 31 VAL N N 31 122.592 122.592 121.079 1.513 25433 1662 1 9 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.295 0.053 25433 1663 1 9 . 1 1 31 31 VAL CA C 31 61.591 61.591 58.765 2.826 25433 1664 1 9 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.272 -1.034 25433 1665 1 9 . 1 1 31 31 VAL H H 31 8.120 8.120 7.826 0.294 25433 1666 1 9 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.477 0.173 25433 1667 1 9 . 1 1 32 32 PRO C C 32 176.413 176.413 177.442 -1.029 25433 1668 1 9 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.724 0.048 25433 1669 1 9 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.325 0.325 25433 1670 1 9 . 1 1 33 33 LYS N N 33 122.957 122.957 124.354 -1.397 25433 1671 1 9 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.917 0.192 25433 1672 1 9 . 1 1 33 33 LYS C C 33 176.726 176.726 177.303 -0.577 25433 1673 1 9 . 1 1 33 33 LYS CA C 33 58.359 58.359 58.295 0.063 25433 1674 1 9 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.510 1.190 25433 1675 1 9 . 1 1 33 33 LYS H H 33 7.956 7.956 8.395 -0.439 25433 1676 1 9 . 1 1 34 34 SER N N 34 112.323 112.323 112.634 -0.311 25433 1677 1 9 . 1 1 34 34 SER HA H 34 4.138 4.138 4.136 0.002 25433 1678 1 9 . 1 1 34 34 SER C C 34 175.141 175.141 175.646 -0.505 25433 1679 1 9 . 1 1 34 34 SER CA C 34 59.160 59.160 61.185 -2.025 25433 1680 1 9 . 1 1 34 34 SER CB C 34 62.820 62.820 62.821 -0.001 25433 1681 1 9 . 1 1 34 34 SER H H 34 8.139 8.139 8.264 -0.125 25433 1682 1 9 . 1 1 35 35 GLU N N 35 120.171 120.171 118.333 1.838 25433 1683 1 9 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.379 -0.128 25433 1684 1 9 . 1 1 35 35 GLU C C 35 176.796 176.796 176.099 0.697 25433 1685 1 9 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.688 -0.099 25433 1686 1 9 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.374 0.210 25433 1687 1 9 . 1 1 35 35 GLU H H 35 7.750 7.750 7.528 0.222 25433 1688 1 9 . 1 1 36 36 ALA N N 36 122.364 122.364 121.758 0.606 25433 1689 1 9 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.697 -0.425 25433 1690 1 9 . 1 1 36 36 ALA C C 36 177.942 177.942 176.958 0.984 25433 1691 1 9 . 1 1 36 36 ALA CA C 36 52.881 52.881 50.524 2.357 25433 1692 1 9 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.852 -0.265 25433 1693 1 9 . 1 1 36 36 ALA H H 36 8.216 8.216 7.078 1.138 25433 1694 1 9 . 1 1 37 37 GLU N N 37 117.040 117.040 118.003 -0.963 25433 1695 1 9 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.123 0.230 25433 1696 1 9 . 1 1 37 37 GLU C C 37 176.592 176.592 175.443 1.149 25433 1697 1 9 . 1 1 37 37 GLU CA C 37 56.475 56.475 57.195 -0.720 25433 1698 1 9 . 1 1 37 37 GLU CB C 37 30.170 30.170 28.279 1.891 25433 1699 1 9 . 1 1 37 37 GLU H H 37 8.161 8.161 8.398 -0.237 25433 1700 1 9 . 1 1 38 38 GLN N N 38 120.895 120.895 120.635 0.260 25433 1701 1 9 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.327 -0.073 25433 1702 1 9 . 1 1 38 38 GLN C C 38 175.615 175.615 175.079 0.536 25433 1703 1 9 . 1 1 38 38 GLN CA C 38 55.689 55.689 55.744 -0.055 25433 1704 1 9 . 1 1 38 38 GLN CB C 38 29.560 29.560 28.239 1.321 25433 1705 1 9 . 1 1 38 38 GLN H H 38 8.262 8.262 8.359 -0.097 25433 1706 1 9 . 1 1 39 39 LYS N N 39 122.996 122.996 126.158 -3.162 25433 1707 1 9 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.508 -0.212 25433 1708 1 9 . 1 1 39 39 LYS C C 39 176.240 176.240 175.473 0.767 25433 1709 1 9 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.437 0.358 25433 1710 1 9 . 1 1 39 39 LYS CB C 39 32.981 32.981 33.522 -0.541 25433 1711 1 9 . 1 1 39 39 LYS H H 39 8.416 8.416 8.174 0.242 25433 1712 1 9 . 1 1 40 40 LEU N N 40 123.709 123.709 126.544 -2.835 25433 1713 1 9 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.573 0.002 25433 1714 1 9 . 1 1 40 40 LEU CA C 40 52.786 52.786 52.345 0.441 25433 1715 1 9 . 1 1 40 40 LEU CB C 40 41.468 41.468 40.988 0.480 25433 1716 1 9 . 1 1 40 40 LEU H H 40 8.292 8.292 8.527 -0.235 25433 1717 1 9 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.551 -0.203 25433 1718 1 9 . 1 1 41 41 PRO CA C 41 61.562 61.562 62.335 -0.773 25433 1719 1 9 . 1 1 41 41 PRO CB C 41 32.340 32.340 32.324 0.016 25433 1720 1 10 . 1 1 7 7 ASN N N 7 121.300 121.300 121.548 -0.248 25433 1721 1 10 . 1 1 7 7 ASN CB C 7 30.000 30.000 40.124 -10.124 25433 1722 1 10 . 1 1 7 7 ASN H H 7 8.535 8.535 8.106 0.429 25433 1723 1 10 . 1 1 8 8 GLU N N 8 119.801 119.801 119.940 -0.139 25433 1724 1 10 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.206 0.234 25433 1725 1 10 . 1 1 8 8 GLU C C 8 175.693 175.693 175.925 -0.232 25433 1726 1 10 . 1 1 8 8 GLU CA C 8 55.855 55.855 57.399 -1.544 25433 1727 1 10 . 1 1 8 8 GLU CB C 8 31.029 31.029 29.847 1.182 25433 1728 1 10 . 1 1 8 8 GLU H H 8 8.372 8.372 8.593 -0.221 25433 1729 1 10 . 1 1 9 9 ASP N N 9 120.567 120.567 120.340 0.227 25433 1730 1 10 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.423 0.304 25433 1731 1 10 . 1 1 9 9 ASP C C 9 175.618 175.618 175.392 0.226 25433 1732 1 10 . 1 1 9 9 ASP CA C 9 54.857 54.857 55.572 -0.715 25433 1733 1 10 . 1 1 9 9 ASP CB C 9 41.330 41.330 40.834 0.496 25433 1734 1 10 . 1 1 9 9 ASP H H 9 8.158 8.158 8.052 0.106 25433 1735 1 10 . 1 1 10 10 TRP N N 10 116.757 116.757 119.606 -2.849 25433 1736 1 10 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.883 0.131 25433 1737 1 10 . 1 1 10 10 TRP C C 10 173.732 173.732 173.771 -0.039 25433 1738 1 10 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.080 -1.043 25433 1739 1 10 . 1 1 10 10 TRP CB C 10 31.370 31.370 31.211 0.159 25433 1740 1 10 . 1 1 10 10 TRP H H 10 8.476 8.476 7.793 0.683 25433 1741 1 10 . 1 1 11 11 LEU N N 11 122.486 122.486 124.870 -2.384 25433 1742 1 10 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.954 -0.435 25433 1743 1 10 . 1 1 11 11 LEU C C 11 176.547 176.547 176.448 0.099 25433 1744 1 10 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.342 -0.025 25433 1745 1 10 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.589 1.071 25433 1746 1 10 . 1 1 11 11 LEU H H 11 8.810 8.810 8.441 0.369 25433 1747 1 10 . 1 1 12 12 CYS N N 12 126.739 126.739 123.799 2.940 25433 1748 1 10 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.761 -0.174 25433 1749 1 10 . 1 1 12 12 CYS C C 12 177.636 177.636 175.840 1.796 25433 1750 1 10 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.030 0.476 25433 1751 1 10 . 1 1 12 12 CYS CB C 12 31.330 31.330 30.035 1.294 25433 1752 1 10 . 1 1 12 12 CYS H H 12 8.574 8.574 8.619 -0.045 25433 1753 1 10 . 1 1 13 13 ASN N N 13 127.516 127.516 121.262 6.254 25433 1754 1 10 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.888 -0.354 25433 1755 1 10 . 1 1 13 13 ASN C C 13 175.471 175.471 175.906 -0.435 25433 1756 1 10 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.787 0.185 25433 1757 1 10 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.720 0.056 25433 1758 1 10 . 1 1 13 13 ASN H H 13 9.229 9.229 8.898 0.331 25433 1759 1 10 . 1 1 14 14 LYS N N 14 120.919 120.919 120.821 0.098 25433 1760 1 10 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.445 -0.086 25433 1761 1 10 . 1 1 14 14 LYS C C 14 178.199 178.199 178.079 0.120 25433 1762 1 10 . 1 1 14 14 LYS CA C 14 57.428 57.428 57.756 -0.328 25433 1763 1 10 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.631 0.075 25433 1764 1 10 . 1 1 14 14 LYS H H 14 9.274 9.274 8.345 0.929 25433 1765 1 10 . 1 1 15 15 CYS N N 15 119.236 119.236 115.009 4.227 25433 1766 1 10 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.648 0.074 25433 1767 1 10 . 1 1 15 15 CYS CB C 15 32.353 32.353 28.130 4.223 25433 1768 1 10 . 1 1 15 15 CYS H H 15 9.014 9.014 8.074 0.940 25433 1769 1 10 . 1 1 16 16 GLY N N 16 110.235 110.235 111.246 -1.011 25433 1770 1 10 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.347 0.948 25433 1771 1 10 . 1 1 16 16 GLY H H 16 7.817 7.817 8.048 -0.231 25433 1772 1 10 . 1 1 17 17 VAL N N 17 121.337 121.337 114.838 6.499 25433 1773 1 10 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.594 -0.344 25433 1774 1 10 . 1 1 17 17 VAL CA C 17 61.124 61.124 59.729 1.395 25433 1775 1 10 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.587 -0.195 25433 1776 1 10 . 1 1 17 17 VAL H H 17 8.220 8.220 7.328 0.892 25433 1777 1 10 . 1 1 18 18 GLN N N 18 121.310 121.310 120.299 1.011 25433 1778 1 10 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.642 -0.289 25433 1779 1 10 . 1 1 18 18 GLN C C 18 174.823 174.823 175.289 -0.466 25433 1780 1 10 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.389 0.919 25433 1781 1 10 . 1 1 18 18 GLN CB C 18 29.505 29.505 30.822 -1.317 25433 1782 1 10 . 1 1 18 18 GLN H H 18 8.218 8.218 8.412 -0.194 25433 1783 1 10 . 1 1 19 19 ASN N N 19 122.482 122.482 122.124 0.358 25433 1784 1 10 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.786 -0.296 25433 1785 1 10 . 1 1 19 19 ASN C C 19 173.360 173.360 174.180 -0.820 25433 1786 1 10 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.938 0.120 25433 1787 1 10 . 1 1 19 19 ASN CB C 19 43.372 43.372 38.986 4.386 25433 1788 1 10 . 1 1 19 19 ASN H H 19 9.041 9.041 7.814 1.227 25433 1789 1 10 . 1 1 20 20 PHE N N 20 117.484 117.484 119.865 -2.381 25433 1790 1 10 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.619 0.039 25433 1791 1 10 . 1 1 20 20 PHE C C 20 176.810 176.810 175.255 1.555 25433 1792 1 10 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.436 0.350 25433 1793 1 10 . 1 1 20 20 PHE CB C 20 40.003 40.003 38.867 1.136 25433 1794 1 10 . 1 1 20 20 PHE H H 20 7.846 7.846 8.127 -0.281 25433 1795 1 10 . 1 1 21 21 LYS N N 21 120.464 120.464 117.270 3.194 25433 1796 1 10 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.881 0.247 25433 1797 1 10 . 1 1 21 21 LYS C C 21 176.254 176.254 175.557 0.697 25433 1798 1 10 . 1 1 21 21 LYS CA C 21 58.878 58.878 57.706 1.173 25433 1799 1 10 . 1 1 21 21 LYS CB C 21 32.334 32.334 30.284 2.050 25433 1800 1 10 . 1 1 21 21 LYS H H 21 8.516 8.516 8.282 0.234 25433 1801 1 10 . 1 1 22 22 ARG N N 22 112.820 112.820 117.567 -4.747 25433 1802 1 10 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.384 -0.155 25433 1803 1 10 . 1 1 22 22 ARG C C 22 176.851 176.851 175.819 1.032 25433 1804 1 10 . 1 1 22 22 ARG CA C 22 56.426 56.426 56.330 0.097 25433 1805 1 10 . 1 1 22 22 ARG CB C 22 29.732 29.732 32.091 -2.359 25433 1806 1 10 . 1 1 22 22 ARG H H 22 7.125 7.125 7.883 -0.758 25433 1807 1 10 . 1 1 23 23 ARG N N 23 119.307 119.307 123.335 -4.028 25433 1808 1 10 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.298 0.084 25433 1809 1 10 . 1 1 23 23 ARG C C 23 177.143 177.143 176.793 0.350 25433 1810 1 10 . 1 1 23 23 ARG CA C 23 57.037 57.037 57.343 -0.306 25433 1811 1 10 . 1 1 23 23 ARG CB C 23 30.944 30.944 29.868 1.076 25433 1812 1 10 . 1 1 23 23 ARG H H 23 8.349 8.349 8.476 -0.127 25433 1813 1 10 . 1 1 24 24 GLU N N 24 120.195 120.195 125.295 -5.100 25433 1814 1 10 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.043 0.221 25433 1815 1 10 . 1 1 24 24 GLU C C 24 176.371 176.371 176.513 -0.142 25433 1816 1 10 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.411 -2.436 25433 1817 1 10 . 1 1 24 24 GLU CB C 24 30.819 30.819 29.982 0.837 25433 1818 1 10 . 1 1 24 24 GLU H H 24 8.967 8.967 8.700 0.267 25433 1819 1 10 . 1 1 25 25 LYS N N 25 116.632 116.632 116.865 -0.233 25433 1820 1 10 . 1 1 25 25 LYS HA H 25 4.906 4.906 4.757 0.149 25433 1821 1 10 . 1 1 25 25 LYS C C 25 174.820 174.820 176.732 -1.912 25433 1822 1 10 . 1 1 25 25 LYS CA C 25 54.064 54.064 55.111 -1.047 25433 1823 1 10 . 1 1 25 25 LYS CB C 25 35.743 35.743 34.463 1.280 25433 1824 1 10 . 1 1 25 25 LYS H H 25 7.862 7.862 7.714 0.148 25433 1825 1 10 . 1 1 26 26 CYS N N 26 124.535 124.535 118.625 5.910 25433 1826 1 10 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.549 -0.368 25433 1827 1 10 . 1 1 26 26 CYS C C 26 178.895 178.895 176.274 2.621 25433 1828 1 10 . 1 1 26 26 CYS CA C 26 59.174 59.174 61.096 -1.921 25433 1829 1 10 . 1 1 26 26 CYS CB C 26 30.942 30.942 28.109 2.833 25433 1830 1 10 . 1 1 26 26 CYS H H 26 8.678 8.678 8.481 0.197 25433 1831 1 10 . 1 1 27 27 PHE N N 27 129.286 129.286 120.297 8.989 25433 1832 1 10 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.500 -0.150 25433 1833 1 10 . 1 1 27 27 PHE C C 27 174.408 174.408 175.370 -0.962 25433 1834 1 10 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.141 0.585 25433 1835 1 10 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.287 0.137 25433 1836 1 10 . 1 1 27 27 PHE H H 27 9.344 9.344 9.104 0.240 25433 1837 1 10 . 1 1 28 28 LYS N N 28 124.525 124.525 115.122 9.403 25433 1838 1 10 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.159 -0.096 25433 1839 1 10 . 1 1 28 28 LYS C C 28 177.362 177.362 176.512 0.850 25433 1840 1 10 . 1 1 28 28 LYS CA C 28 57.244 57.244 55.992 1.252 25433 1841 1 10 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.789 1.521 25433 1842 1 10 . 1 1 28 28 LYS H H 28 8.765 8.765 7.565 1.200 25433 1843 1 10 . 1 1 29 29 CYS N N 29 117.596 117.596 119.324 -1.728 25433 1844 1 10 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.336 0.461 25433 1845 1 10 . 1 1 29 29 CYS C C 29 177.501 177.501 175.661 1.840 25433 1846 1 10 . 1 1 29 29 CYS CA C 29 58.921 58.921 60.742 -1.821 25433 1847 1 10 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.997 5.090 25433 1848 1 10 . 1 1 29 29 CYS H H 29 8.357 8.357 8.333 0.024 25433 1849 1 10 . 1 1 30 30 GLY N N 30 110.623 110.623 107.496 3.127 25433 1850 1 10 . 1 1 30 30 GLY CA C 30 46.135 46.135 44.788 1.347 25433 1851 1 10 . 1 1 30 30 GLY H H 30 7.519 7.519 8.244 -0.725 25433 1852 1 10 . 1 1 31 31 VAL N N 31 122.592 122.592 124.329 -1.737 25433 1853 1 10 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.280 0.068 25433 1854 1 10 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.731 1.860 25433 1855 1 10 . 1 1 31 31 VAL CB C 31 32.238 32.238 32.288 -0.050 25433 1856 1 10 . 1 1 31 31 VAL H H 31 8.120 8.120 7.875 0.245 25433 1857 1 10 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.627 0.023 25433 1858 1 10 . 1 1 32 32 PRO C C 32 176.413 176.413 176.912 -0.499 25433 1859 1 10 . 1 1 32 32 PRO CA C 32 62.772 62.772 61.890 0.882 25433 1860 1 10 . 1 1 32 32 PRO CB C 32 32.650 32.650 33.096 -0.446 25433 1861 1 10 . 1 1 33 33 LYS N N 33 122.957 122.957 120.532 2.425 25433 1862 1 10 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.908 0.201 25433 1863 1 10 . 1 1 33 33 LYS C C 33 176.726 176.726 178.296 -1.570 25433 1864 1 10 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.084 -0.725 25433 1865 1 10 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.614 1.086 25433 1866 1 10 . 1 1 33 33 LYS H H 33 7.956 7.956 8.297 -0.341 25433 1867 1 10 . 1 1 34 34 SER N N 34 112.323 112.323 112.107 0.216 25433 1868 1 10 . 1 1 34 34 SER HA H 34 4.138 4.138 4.201 -0.063 25433 1869 1 10 . 1 1 34 34 SER C C 34 175.141 175.141 175.387 -0.246 25433 1870 1 10 . 1 1 34 34 SER CA C 34 59.160 59.160 60.796 -1.636 25433 1871 1 10 . 1 1 34 34 SER CB C 34 62.820 62.820 62.781 0.039 25433 1872 1 10 . 1 1 34 34 SER H H 34 8.139 8.139 8.104 0.035 25433 1873 1 10 . 1 1 35 35 GLU N N 35 120.171 120.171 120.288 -0.117 25433 1874 1 10 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.425 -0.174 25433 1875 1 10 . 1 1 35 35 GLU C C 35 176.796 176.796 176.362 0.434 25433 1876 1 10 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.159 0.430 25433 1877 1 10 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.470 0.114 25433 1878 1 10 . 1 1 35 35 GLU H H 35 7.750 7.750 7.319 0.431 25433 1879 1 10 . 1 1 36 36 ALA N N 36 122.364 122.364 122.602 -0.238 25433 1880 1 10 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.390 -0.118 25433 1881 1 10 . 1 1 36 36 ALA C C 36 177.942 177.942 178.382 -0.440 25433 1882 1 10 . 1 1 36 36 ALA CA C 36 52.881 52.881 53.546 -0.665 25433 1883 1 10 . 1 1 36 36 ALA CB C 36 20.587 20.587 19.413 1.174 25433 1884 1 10 . 1 1 36 36 ALA H H 36 8.216 8.216 7.469 0.747 25433 1885 1 10 . 1 1 37 37 GLU N N 37 117.040 117.040 119.280 -2.240 25433 1886 1 10 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.250 0.103 25433 1887 1 10 . 1 1 37 37 GLU C C 37 176.592 176.592 176.068 0.524 25433 1888 1 10 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.763 0.712 25433 1889 1 10 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.253 -0.083 25433 1890 1 10 . 1 1 37 37 GLU H H 37 8.161 8.161 7.778 0.383 25433 1891 1 10 . 1 1 38 38 GLN N N 38 120.895 120.895 120.804 0.091 25433 1892 1 10 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.232 0.022 25433 1893 1 10 . 1 1 38 38 GLN C C 38 175.615 175.615 175.865 -0.250 25433 1894 1 10 . 1 1 38 38 GLN CA C 38 55.689 55.689 55.860 -0.171 25433 1895 1 10 . 1 1 38 38 GLN CB C 38 29.560 29.560 27.424 2.136 25433 1896 1 10 . 1 1 38 38 GLN H H 38 8.262 8.262 8.366 -0.104 25433 1897 1 10 . 1 1 39 39 LYS N N 39 122.996 122.996 124.256 -1.260 25433 1898 1 10 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.393 -0.097 25433 1899 1 10 . 1 1 39 39 LYS C C 39 176.240 176.240 176.461 -0.221 25433 1900 1 10 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.658 0.137 25433 1901 1 10 . 1 1 39 39 LYS CB C 39 32.981 32.981 33.145 -0.164 25433 1902 1 10 . 1 1 39 39 LYS H H 39 8.416 8.416 8.347 0.069 25433 1903 1 10 . 1 1 40 40 LEU N N 40 123.709 123.709 123.546 0.163 25433 1904 1 10 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.518 0.057 25433 1905 1 10 . 1 1 40 40 LEU CA C 40 52.786 52.786 53.145 -0.359 25433 1906 1 10 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.297 0.171 25433 1907 1 10 . 1 1 40 40 LEU H H 40 8.292 8.292 8.165 0.127 25433 1908 1 10 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.362 -0.014 25433 1909 1 10 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.788 -2.226 25433 1910 1 10 . 1 1 41 41 PRO CB C 41 32.340 32.340 31.385 0.955 25433 1911 1 11 . 1 1 7 7 ASN N N 7 121.300 121.300 126.735 -5.435 25433 1912 1 11 . 1 1 7 7 ASN CB C 7 30.000 30.000 39.576 -9.576 25433 1913 1 11 . 1 1 7 7 ASN H H 7 8.535 8.535 8.823 -0.288 25433 1914 1 11 . 1 1 8 8 GLU N N 8 119.801 119.801 120.202 -0.401 25433 1915 1 11 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.520 -0.080 25433 1916 1 11 . 1 1 8 8 GLU C C 8 175.693 175.693 176.015 -0.322 25433 1917 1 11 . 1 1 8 8 GLU CA C 8 55.855 55.855 54.725 1.130 25433 1918 1 11 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.371 0.658 25433 1919 1 11 . 1 1 8 8 GLU H H 8 8.372 8.372 8.423 -0.051 25433 1920 1 11 . 1 1 9 9 ASP N N 9 120.567 120.567 119.309 1.258 25433 1921 1 11 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.415 0.312 25433 1922 1 11 . 1 1 9 9 ASP C C 9 175.618 175.618 175.602 0.016 25433 1923 1 11 . 1 1 9 9 ASP CA C 9 54.857 54.857 54.050 0.806 25433 1924 1 11 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.436 -0.106 25433 1925 1 11 . 1 1 9 9 ASP H H 9 8.158 8.158 8.005 0.153 25433 1926 1 11 . 1 1 10 10 TRP N N 10 116.757 116.757 115.801 0.956 25433 1927 1 11 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.832 0.182 25433 1928 1 11 . 1 1 10 10 TRP C C 10 173.732 173.732 174.044 -0.312 25433 1929 1 11 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.728 -1.692 25433 1930 1 11 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.770 0.600 25433 1931 1 11 . 1 1 10 10 TRP H H 10 8.476 8.476 7.816 0.660 25433 1932 1 11 . 1 1 11 11 LEU N N 11 122.486 122.486 124.546 -2.060 25433 1933 1 11 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.098 -0.579 25433 1934 1 11 . 1 1 11 11 LEU C C 11 176.547 176.547 176.433 0.114 25433 1935 1 11 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.143 0.174 25433 1936 1 11 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.788 0.872 25433 1937 1 11 . 1 1 11 11 LEU H H 11 8.810 8.810 8.466 0.344 25433 1938 1 11 . 1 1 12 12 CYS N N 12 126.739 126.739 124.362 2.377 25433 1939 1 11 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.571 0.016 25433 1940 1 11 . 1 1 12 12 CYS C C 12 177.636 177.636 175.986 1.650 25433 1941 1 11 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.533 -0.027 25433 1942 1 11 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.728 1.602 25433 1943 1 11 . 1 1 12 12 CYS H H 12 8.574 8.574 8.165 0.409 25433 1944 1 11 . 1 1 13 13 ASN N N 13 127.516 127.516 122.869 4.647 25433 1945 1 11 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.682 -0.148 25433 1946 1 11 . 1 1 13 13 ASN C C 13 175.471 175.471 175.751 -0.280 25433 1947 1 11 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.841 0.131 25433 1948 1 11 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.614 0.162 25433 1949 1 11 . 1 1 13 13 ASN H H 13 9.229 9.229 8.912 0.317 25433 1950 1 11 . 1 1 14 14 LYS N N 14 120.919 120.919 119.722 1.197 25433 1951 1 11 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.437 -0.078 25433 1952 1 11 . 1 1 14 14 LYS C C 14 178.199 178.199 178.249 -0.050 25433 1953 1 11 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.028 -0.600 25433 1954 1 11 . 1 1 14 14 LYS CB C 14 32.706 32.706 33.386 -0.680 25433 1955 1 11 . 1 1 14 14 LYS H H 14 9.274 9.274 8.065 1.209 25433 1956 1 11 . 1 1 15 15 CYS N N 15 119.236 119.236 113.678 5.558 25433 1957 1 11 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.489 0.233 25433 1958 1 11 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.614 4.739 25433 1959 1 11 . 1 1 15 15 CYS H H 15 9.014 9.014 7.963 1.051 25433 1960 1 11 . 1 1 16 16 GLY N N 16 110.235 110.235 111.813 -1.578 25433 1961 1 11 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.378 0.917 25433 1962 1 11 . 1 1 16 16 GLY H H 16 7.817 7.817 8.176 -0.359 25433 1963 1 11 . 1 1 17 17 VAL N N 17 121.337 121.337 114.261 7.076 25433 1964 1 11 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.440 -0.190 25433 1965 1 11 . 1 1 17 17 VAL CA C 17 61.124 61.124 59.008 2.116 25433 1966 1 11 . 1 1 17 17 VAL CB C 17 33.392 33.392 35.126 -1.734 25433 1967 1 11 . 1 1 17 17 VAL H H 17 8.220 8.220 7.320 0.900 25433 1968 1 11 . 1 1 18 18 GLN N N 18 121.310 121.310 122.454 -1.144 25433 1969 1 11 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.293 0.060 25433 1970 1 11 . 1 1 18 18 GLN C C 18 174.823 174.823 175.419 -0.596 25433 1971 1 11 . 1 1 18 18 GLN CA C 18 55.308 55.308 55.144 0.164 25433 1972 1 11 . 1 1 18 18 GLN CB C 18 29.505 29.505 29.323 0.182 25433 1973 1 11 . 1 1 18 18 GLN H H 18 8.218 8.218 8.640 -0.422 25433 1974 1 11 . 1 1 19 19 ASN N N 19 122.482 122.482 122.676 -0.194 25433 1975 1 11 . 1 1 19 19 ASN HA H 19 4.490 4.490 5.072 -0.582 25433 1976 1 11 . 1 1 19 19 ASN C C 19 173.360 173.360 175.214 -1.854 25433 1977 1 11 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.659 0.399 25433 1978 1 11 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.417 3.955 25433 1979 1 11 . 1 1 19 19 ASN H H 19 9.041 9.041 7.789 1.252 25433 1980 1 11 . 1 1 20 20 PHE N N 20 117.484 117.484 121.148 -3.664 25433 1981 1 11 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.482 0.176 25433 1982 1 11 . 1 1 20 20 PHE C C 20 176.810 176.810 175.664 1.146 25433 1983 1 11 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.614 0.172 25433 1984 1 11 . 1 1 20 20 PHE CB C 20 40.003 40.003 37.138 2.865 25433 1985 1 11 . 1 1 20 20 PHE H H 20 7.846 7.846 8.677 -0.831 25433 1986 1 11 . 1 1 21 21 LYS N N 21 120.464 120.464 119.098 1.366 25433 1987 1 11 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.676 0.452 25433 1988 1 11 . 1 1 21 21 LYS C C 21 176.254 176.254 177.602 -1.348 25433 1989 1 11 . 1 1 21 21 LYS CA C 21 58.878 58.878 59.133 -0.255 25433 1990 1 11 . 1 1 21 21 LYS CB C 21 32.334 32.334 29.988 2.346 25433 1991 1 11 . 1 1 21 21 LYS H H 21 8.516 8.516 7.952 0.564 25433 1992 1 11 . 1 1 22 22 ARG N N 22 112.820 112.820 119.216 -6.396 25433 1993 1 11 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.332 -0.103 25433 1994 1 11 . 1 1 22 22 ARG C C 22 176.851 176.851 177.205 -0.354 25433 1995 1 11 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.379 1.048 25433 1996 1 11 . 1 1 22 22 ARG CB C 22 29.732 29.732 29.626 0.106 25433 1997 1 11 . 1 1 22 22 ARG H H 22 7.125 7.125 7.881 -0.756 25433 1998 1 11 . 1 1 23 23 ARG N N 23 119.307 119.307 120.728 -1.421 25433 1999 1 11 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.458 -0.076 25433 2000 1 11 . 1 1 23 23 ARG C C 23 177.143 177.143 176.814 0.329 25433 2001 1 11 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.542 1.495 25433 2002 1 11 . 1 1 23 23 ARG CB C 23 30.944 30.944 29.751 1.193 25433 2003 1 11 . 1 1 23 23 ARG H H 23 8.349 8.349 7.780 0.569 25433 2004 1 11 . 1 1 24 24 GLU N N 24 120.195 120.195 125.158 -4.963 25433 2005 1 11 . 1 1 24 24 GLU HA H 24 4.264 4.264 3.977 0.287 25433 2006 1 11 . 1 1 24 24 GLU C C 24 176.371 176.371 175.867 0.504 25433 2007 1 11 . 1 1 24 24 GLU CA C 24 56.975 56.975 60.168 -3.193 25433 2008 1 11 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.340 0.479 25433 2009 1 11 . 1 1 24 24 GLU H H 24 8.967 8.967 8.828 0.139 25433 2010 1 11 . 1 1 25 25 LYS N N 25 116.632 116.632 116.198 0.434 25433 2011 1 11 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.116 -0.210 25433 2012 1 11 . 1 1 25 25 LYS C C 25 174.820 174.820 176.124 -1.304 25433 2013 1 11 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.370 -0.306 25433 2014 1 11 . 1 1 25 25 LYS CB C 25 35.743 35.743 35.492 0.251 25433 2015 1 11 . 1 1 25 25 LYS H H 25 7.862 7.862 7.662 0.200 25433 2016 1 11 . 1 1 26 26 CYS N N 26 124.535 124.535 120.323 4.212 25433 2017 1 11 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.418 -0.237 25433 2018 1 11 . 1 1 26 26 CYS C C 26 178.895 178.895 176.120 2.775 25433 2019 1 11 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.925 -1.751 25433 2020 1 11 . 1 1 26 26 CYS CB C 26 30.942 30.942 28.077 2.865 25433 2021 1 11 . 1 1 26 26 CYS H H 26 8.678 8.678 8.631 0.047 25433 2022 1 11 . 1 1 27 27 PHE N N 27 129.286 129.286 122.476 6.810 25433 2023 1 11 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.370 -0.020 25433 2024 1 11 . 1 1 27 27 PHE C C 27 174.408 174.408 175.511 -1.103 25433 2025 1 11 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.704 0.022 25433 2026 1 11 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.049 0.375 25433 2027 1 11 . 1 1 27 27 PHE H H 27 9.344 9.344 8.843 0.501 25433 2028 1 11 . 1 1 28 28 LYS N N 28 124.525 124.525 114.470 10.055 25433 2029 1 11 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.253 -0.190 25433 2030 1 11 . 1 1 28 28 LYS C C 28 177.362 177.362 176.236 1.126 25433 2031 1 11 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.523 0.721 25433 2032 1 11 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.432 1.878 25433 2033 1 11 . 1 1 28 28 LYS H H 28 8.765 8.765 7.566 1.199 25433 2034 1 11 . 1 1 29 29 CYS N N 29 117.596 117.596 119.667 -2.071 25433 2035 1 11 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.667 0.130 25433 2036 1 11 . 1 1 29 29 CYS C C 29 177.501 177.501 175.630 1.871 25433 2037 1 11 . 1 1 29 29 CYS CA C 29 58.921 58.921 58.687 0.234 25433 2038 1 11 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.767 5.321 25433 2039 1 11 . 1 1 29 29 CYS H H 29 8.357 8.357 8.184 0.173 25433 2040 1 11 . 1 1 30 30 GLY N N 30 110.623 110.623 109.568 1.055 25433 2041 1 11 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.979 0.156 25433 2042 1 11 . 1 1 30 30 GLY H H 30 7.519 7.519 7.706 -0.187 25433 2043 1 11 . 1 1 31 31 VAL N N 31 122.592 122.592 119.785 2.807 25433 2044 1 11 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.458 -0.110 25433 2045 1 11 . 1 1 31 31 VAL CA C 31 61.591 61.591 58.239 3.352 25433 2046 1 11 . 1 1 31 31 VAL CB C 31 32.238 32.238 32.942 -0.704 25433 2047 1 11 . 1 1 31 31 VAL H H 31 8.120 8.120 7.858 0.262 25433 2048 1 11 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.714 -0.064 25433 2049 1 11 . 1 1 32 32 PRO C C 32 176.413 176.413 177.701 -1.288 25433 2050 1 11 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.206 0.566 25433 2051 1 11 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.580 0.071 25433 2052 1 11 . 1 1 33 33 LYS N N 33 122.957 122.957 123.199 -0.242 25433 2053 1 11 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.548 0.561 25433 2054 1 11 . 1 1 33 33 LYS C C 33 176.726 176.726 177.851 -1.125 25433 2055 1 11 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.427 -1.068 25433 2056 1 11 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.240 1.460 25433 2057 1 11 . 1 1 33 33 LYS H H 33 7.956 7.956 8.233 -0.277 25433 2058 1 11 . 1 1 34 34 SER N N 34 112.323 112.323 112.333 -0.010 25433 2059 1 11 . 1 1 34 34 SER HA H 34 4.138 4.138 4.228 -0.090 25433 2060 1 11 . 1 1 34 34 SER C C 34 175.141 175.141 175.556 -0.415 25433 2061 1 11 . 1 1 34 34 SER CA C 34 59.160 59.160 60.820 -1.660 25433 2062 1 11 . 1 1 34 34 SER CB C 34 62.820 62.820 62.430 0.390 25433 2063 1 11 . 1 1 34 34 SER H H 34 8.139 8.139 8.393 -0.254 25433 2064 1 11 . 1 1 35 35 GLU N N 35 120.171 120.171 118.542 1.629 25433 2065 1 11 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.379 -0.128 25433 2066 1 11 . 1 1 35 35 GLU C C 35 176.796 176.796 176.886 -0.090 25433 2067 1 11 . 1 1 35 35 GLU CA C 35 56.589 56.589 57.267 -0.678 25433 2068 1 11 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.337 0.247 25433 2069 1 11 . 1 1 35 35 GLU H H 35 7.750 7.750 7.421 0.329 25433 2070 1 11 . 1 1 36 36 ALA N N 36 122.364 122.364 122.672 -0.308 25433 2071 1 11 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.252 0.020 25433 2072 1 11 . 1 1 36 36 ALA C C 36 177.942 177.942 177.986 -0.044 25433 2073 1 11 . 1 1 36 36 ALA CA C 36 52.881 52.881 53.803 -0.922 25433 2074 1 11 . 1 1 36 36 ALA CB C 36 20.587 20.587 19.650 0.937 25433 2075 1 11 . 1 1 36 36 ALA H H 36 8.216 8.216 7.282 0.934 25433 2076 1 11 . 1 1 37 37 GLU N N 37 117.040 117.040 119.539 -2.499 25433 2077 1 11 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.395 -0.042 25433 2078 1 11 . 1 1 37 37 GLU C C 37 176.592 176.592 175.914 0.678 25433 2079 1 11 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.092 1.383 25433 2080 1 11 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.241 -0.071 25433 2081 1 11 . 1 1 37 37 GLU H H 37 8.161 8.161 7.801 0.360 25433 2082 1 11 . 1 1 38 38 GLN N N 38 120.895 120.895 120.576 0.319 25433 2083 1 11 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.407 -0.153 25433 2084 1 11 . 1 1 38 38 GLN C C 38 175.615 175.615 176.058 -0.443 25433 2085 1 11 . 1 1 38 38 GLN CA C 38 55.689 55.689 55.398 0.291 25433 2086 1 11 . 1 1 38 38 GLN CB C 38 29.560 29.560 29.801 -0.241 25433 2087 1 11 . 1 1 38 38 GLN H H 38 8.262 8.262 8.525 -0.263 25433 2088 1 11 . 1 1 39 39 LYS N N 39 122.996 122.996 127.478 -4.482 25433 2089 1 11 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.228 0.068 25433 2090 1 11 . 1 1 39 39 LYS C C 39 176.240 176.240 175.549 0.691 25433 2091 1 11 . 1 1 39 39 LYS CA C 39 55.795 55.795 56.311 -0.516 25433 2092 1 11 . 1 1 39 39 LYS CB C 39 32.981 32.981 30.878 2.103 25433 2093 1 11 . 1 1 39 39 LYS H H 39 8.416 8.416 8.766 -0.350 25433 2094 1 11 . 1 1 40 40 LEU N N 40 123.709 123.709 121.345 2.364 25433 2095 1 11 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.015 0.560 25433 2096 1 11 . 1 1 40 40 LEU CA C 40 52.786 52.786 55.075 -2.289 25433 2097 1 11 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.509 -0.041 25433 2098 1 11 . 1 1 40 40 LEU H H 40 8.292 8.292 7.963 0.329 25433 2099 1 11 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.372 -0.024 25433 2100 1 11 . 1 1 41 41 PRO CA C 41 61.562 61.562 64.951 -3.389 25433 2101 1 11 . 1 1 41 41 PRO CB C 41 32.340 32.340 31.890 0.450 25433 2102 1 12 . 1 1 7 7 ASN N N 7 121.300 121.300 119.372 1.928 25433 2103 1 12 . 1 1 7 7 ASN CB C 7 30.000 30.000 39.163 -9.163 25433 2104 1 12 . 1 1 7 7 ASN H H 7 8.535 8.535 7.950 0.585 25433 2105 1 12 . 1 1 8 8 GLU N N 8 119.801 119.801 121.525 -1.724 25433 2106 1 12 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.361 0.079 25433 2107 1 12 . 1 1 8 8 GLU C C 8 175.693 175.693 175.781 -0.088 25433 2108 1 12 . 1 1 8 8 GLU CA C 8 55.855 55.855 55.906 -0.051 25433 2109 1 12 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.353 0.676 25433 2110 1 12 . 1 1 8 8 GLU H H 8 8.372 8.372 8.779 -0.407 25433 2111 1 12 . 1 1 9 9 ASP N N 9 120.567 120.567 117.831 2.736 25433 2112 1 12 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.582 0.145 25433 2113 1 12 . 1 1 9 9 ASP C C 9 175.618 175.618 176.294 -0.676 25433 2114 1 12 . 1 1 9 9 ASP CA C 9 54.857 54.857 53.702 1.155 25433 2115 1 12 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.257 0.073 25433 2116 1 12 . 1 1 9 9 ASP H H 9 8.158 8.158 7.658 0.500 25433 2117 1 12 . 1 1 10 10 TRP N N 10 116.757 116.757 115.986 0.771 25433 2118 1 12 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.882 0.132 25433 2119 1 12 . 1 1 10 10 TRP C C 10 173.732 173.732 173.741 -0.009 25433 2120 1 12 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.569 -1.532 25433 2121 1 12 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.239 1.131 25433 2122 1 12 . 1 1 10 10 TRP H H 10 8.476 8.476 8.102 0.374 25433 2123 1 12 . 1 1 11 11 LEU N N 11 122.486 122.486 124.105 -1.619 25433 2124 1 12 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.274 -0.755 25433 2125 1 12 . 1 1 11 11 LEU C C 11 176.547 176.547 176.283 0.264 25433 2126 1 12 . 1 1 11 11 LEU CA C 11 53.317 53.317 52.648 0.669 25433 2127 1 12 . 1 1 11 11 LEU CB C 11 43.660 43.660 44.339 -0.679 25433 2128 1 12 . 1 1 11 11 LEU H H 11 8.810 8.810 8.603 0.207 25433 2129 1 12 . 1 1 12 12 CYS N N 12 126.739 126.739 124.296 2.443 25433 2130 1 12 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.578 0.009 25433 2131 1 12 . 1 1 12 12 CYS C C 12 177.636 177.636 175.442 2.194 25433 2132 1 12 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.601 -0.095 25433 2133 1 12 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.278 2.052 25433 2134 1 12 . 1 1 12 12 CYS H H 12 8.574 8.574 8.208 0.366 25433 2135 1 12 . 1 1 13 13 ASN N N 13 127.516 127.516 122.544 4.972 25433 2136 1 12 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.744 -0.210 25433 2137 1 12 . 1 1 13 13 ASN C C 13 175.471 175.471 175.777 -0.306 25433 2138 1 12 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.993 -0.021 25433 2139 1 12 . 1 1 13 13 ASN CB C 13 38.776 38.776 39.037 -0.261 25433 2140 1 12 . 1 1 13 13 ASN H H 13 9.229 9.229 8.836 0.393 25433 2141 1 12 . 1 1 14 14 LYS N N 14 120.919 120.919 120.304 0.615 25433 2142 1 12 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.340 0.019 25433 2143 1 12 . 1 1 14 14 LYS C C 14 178.199 178.199 177.724 0.475 25433 2144 1 12 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.498 -1.070 25433 2145 1 12 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.685 0.021 25433 2146 1 12 . 1 1 14 14 LYS H H 14 9.274 9.274 8.141 1.133 25433 2147 1 12 . 1 1 15 15 CYS N N 15 119.236 119.236 114.051 5.185 25433 2148 1 12 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.730 -0.008 25433 2149 1 12 . 1 1 15 15 CYS CB C 15 32.353 32.353 28.115 4.238 25433 2150 1 12 . 1 1 15 15 CYS H H 15 9.014 9.014 7.945 1.069 25433 2151 1 12 . 1 1 16 16 GLY N N 16 110.235 110.235 111.943 -1.708 25433 2152 1 12 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.339 0.956 25433 2153 1 12 . 1 1 16 16 GLY H H 16 7.817 7.817 8.276 -0.459 25433 2154 1 12 . 1 1 17 17 VAL N N 17 121.337 121.337 114.130 7.207 25433 2155 1 12 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.600 -0.350 25433 2156 1 12 . 1 1 17 17 VAL CA C 17 61.124 61.124 59.332 1.792 25433 2157 1 12 . 1 1 17 17 VAL CB C 17 33.392 33.392 34.085 -0.693 25433 2158 1 12 . 1 1 17 17 VAL H H 17 8.220 8.220 7.570 0.650 25433 2159 1 12 . 1 1 18 18 GLN N N 18 121.310 121.310 122.272 -0.962 25433 2160 1 12 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.377 -0.024 25433 2161 1 12 . 1 1 18 18 GLN C C 18 174.823 174.823 175.022 -0.199 25433 2162 1 12 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.947 0.361 25433 2163 1 12 . 1 1 18 18 GLN CB C 18 29.505 29.505 30.217 -0.712 25433 2164 1 12 . 1 1 18 18 GLN H H 18 8.218 8.218 8.548 -0.330 25433 2165 1 12 . 1 1 19 19 ASN N N 19 122.482 122.482 123.942 -1.460 25433 2166 1 12 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.766 -0.276 25433 2167 1 12 . 1 1 19 19 ASN C C 19 173.360 173.360 173.801 -0.441 25433 2168 1 12 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.943 0.115 25433 2169 1 12 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.078 4.294 25433 2170 1 12 . 1 1 19 19 ASN H H 19 9.041 9.041 7.848 1.193 25433 2171 1 12 . 1 1 20 20 PHE N N 20 117.484 117.484 120.011 -2.527 25433 2172 1 12 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.647 0.011 25433 2173 1 12 . 1 1 20 20 PHE C C 20 176.810 176.810 175.743 1.067 25433 2174 1 12 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.502 0.284 25433 2175 1 12 . 1 1 20 20 PHE CB C 20 40.003 40.003 38.867 1.137 25433 2176 1 12 . 1 1 20 20 PHE H H 20 7.846 7.846 8.513 -0.667 25433 2177 1 12 . 1 1 21 21 LYS N N 21 120.464 120.464 120.332 0.132 25433 2178 1 12 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.639 0.489 25433 2179 1 12 . 1 1 21 21 LYS C C 21 176.254 176.254 177.403 -1.149 25433 2180 1 12 . 1 1 21 21 LYS CA C 21 58.878 58.878 59.141 -0.263 25433 2181 1 12 . 1 1 21 21 LYS CB C 21 32.334 32.334 31.037 1.298 25433 2182 1 12 . 1 1 21 21 LYS H H 21 8.516 8.516 8.083 0.433 25433 2183 1 12 . 1 1 22 22 ARG N N 22 112.820 112.820 119.136 -6.316 25433 2184 1 12 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.088 0.141 25433 2185 1 12 . 1 1 22 22 ARG C C 22 176.851 176.851 176.763 0.088 25433 2186 1 12 . 1 1 22 22 ARG CA C 22 56.426 56.426 57.956 -1.530 25433 2187 1 12 . 1 1 22 22 ARG CB C 22 29.732 29.732 30.079 -0.347 25433 2188 1 12 . 1 1 22 22 ARG H H 22 7.125 7.125 7.822 -0.697 25433 2189 1 12 . 1 1 23 23 ARG N N 23 119.307 119.307 120.756 -1.449 25433 2190 1 12 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.300 0.082 25433 2191 1 12 . 1 1 23 23 ARG C C 23 177.143 177.143 177.294 -0.151 25433 2192 1 12 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.939 1.098 25433 2193 1 12 . 1 1 23 23 ARG CB C 23 30.944 30.944 28.881 2.062 25433 2194 1 12 . 1 1 23 23 ARG H H 23 8.349 8.349 8.279 0.070 25433 2195 1 12 . 1 1 24 24 GLU N N 24 120.195 120.195 123.866 -3.671 25433 2196 1 12 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.260 0.004 25433 2197 1 12 . 1 1 24 24 GLU C C 24 176.371 176.371 176.499 -0.128 25433 2198 1 12 . 1 1 24 24 GLU CA C 24 56.975 56.975 58.855 -1.880 25433 2199 1 12 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.549 0.271 25433 2200 1 12 . 1 1 24 24 GLU H H 24 8.967 8.967 8.901 0.066 25433 2201 1 12 . 1 1 25 25 LYS N N 25 116.632 116.632 117.089 -0.457 25433 2202 1 12 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.128 -0.222 25433 2203 1 12 . 1 1 25 25 LYS C C 25 174.820 174.820 176.251 -1.431 25433 2204 1 12 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.387 -0.323 25433 2205 1 12 . 1 1 25 25 LYS CB C 25 35.743 35.743 35.735 0.008 25433 2206 1 12 . 1 1 25 25 LYS H H 25 7.862 7.862 7.825 0.037 25433 2207 1 12 . 1 1 26 26 CYS N N 26 124.535 124.535 120.228 4.307 25433 2208 1 12 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.546 -0.365 25433 2209 1 12 . 1 1 26 26 CYS C C 26 178.895 178.895 176.344 2.551 25433 2210 1 12 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.852 -1.677 25433 2211 1 12 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.868 3.074 25433 2212 1 12 . 1 1 26 26 CYS H H 26 8.678 8.678 8.617 0.061 25433 2213 1 12 . 1 1 27 27 PHE N N 27 129.286 129.286 123.886 5.400 25433 2214 1 12 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.281 0.069 25433 2215 1 12 . 1 1 27 27 PHE C C 27 174.408 174.408 175.699 -1.291 25433 2216 1 12 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.411 -0.685 25433 2217 1 12 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.316 0.108 25433 2218 1 12 . 1 1 27 27 PHE H H 27 9.344 9.344 8.911 0.433 25433 2219 1 12 . 1 1 28 28 LYS N N 28 124.525 124.525 115.598 8.927 25433 2220 1 12 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.298 -0.235 25433 2221 1 12 . 1 1 28 28 LYS C C 28 177.362 177.362 176.789 0.573 25433 2222 1 12 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.374 0.870 25433 2223 1 12 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.608 1.702 25433 2224 1 12 . 1 1 28 28 LYS H H 28 8.765 8.765 7.552 1.213 25433 2225 1 12 . 1 1 29 29 CYS N N 29 117.596 117.596 119.765 -2.169 25433 2226 1 12 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.629 0.168 25433 2227 1 12 . 1 1 29 29 CYS C C 29 177.501 177.501 176.043 1.458 25433 2228 1 12 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.197 -0.276 25433 2229 1 12 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.130 4.958 25433 2230 1 12 . 1 1 29 29 CYS H H 29 8.357 8.357 8.392 -0.035 25433 2231 1 12 . 1 1 30 30 GLY N N 30 110.623 110.623 109.067 1.556 25433 2232 1 12 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.045 1.090 25433 2233 1 12 . 1 1 30 30 GLY H H 30 7.519 7.519 7.817 -0.298 25433 2234 1 12 . 1 1 31 31 VAL N N 31 122.592 122.592 121.296 1.296 25433 2235 1 12 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.203 0.145 25433 2236 1 12 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.611 1.980 25433 2237 1 12 . 1 1 31 31 VAL CB C 31 32.238 32.238 32.461 -0.223 25433 2238 1 12 . 1 1 31 31 VAL H H 31 8.120 8.120 7.898 0.222 25433 2239 1 12 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.554 0.096 25433 2240 1 12 . 1 1 32 32 PRO C C 32 176.413 176.413 177.279 -0.866 25433 2241 1 12 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.508 0.264 25433 2242 1 12 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.475 0.175 25433 2243 1 12 . 1 1 33 33 LYS N N 33 122.957 122.957 123.406 -0.449 25433 2244 1 12 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.809 0.300 25433 2245 1 12 . 1 1 33 33 LYS C C 33 176.726 176.726 178.064 -1.338 25433 2246 1 12 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.423 -1.064 25433 2247 1 12 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.526 1.174 25433 2248 1 12 . 1 1 33 33 LYS H H 33 7.956 7.956 8.202 -0.246 25433 2249 1 12 . 1 1 34 34 SER N N 34 112.323 112.323 111.473 0.850 25433 2250 1 12 . 1 1 34 34 SER HA H 34 4.138 4.138 4.099 0.039 25433 2251 1 12 . 1 1 34 34 SER C C 34 175.141 175.141 175.820 -0.679 25433 2252 1 12 . 1 1 34 34 SER CA C 34 59.160 59.160 61.233 -2.074 25433 2253 1 12 . 1 1 34 34 SER CB C 34 62.820 62.820 63.059 -0.239 25433 2254 1 12 . 1 1 34 34 SER H H 34 8.139 8.139 8.349 -0.210 25433 2255 1 12 . 1 1 35 35 GLU N N 35 120.171 120.171 119.596 0.575 25433 2256 1 12 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.354 -0.103 25433 2257 1 12 . 1 1 35 35 GLU C C 35 176.796 176.796 175.768 1.028 25433 2258 1 12 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.025 0.564 25433 2259 1 12 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.620 -0.036 25433 2260 1 12 . 1 1 35 35 GLU H H 35 7.750 7.750 7.556 0.195 25433 2261 1 12 . 1 1 36 36 ALA N N 36 122.364 122.364 120.684 1.680 25433 2262 1 12 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.146 0.126 25433 2263 1 12 . 1 1 36 36 ALA C C 36 177.942 177.942 176.470 1.472 25433 2264 1 12 . 1 1 36 36 ALA CA C 36 52.881 52.881 52.260 0.621 25433 2265 1 12 . 1 1 36 36 ALA CB C 36 20.587 20.587 19.627 0.960 25433 2266 1 12 . 1 1 36 36 ALA H H 36 8.216 8.216 7.361 0.855 25433 2267 1 12 . 1 1 37 37 GLU N N 37 117.040 117.040 115.246 1.794 25433 2268 1 12 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.062 0.291 25433 2269 1 12 . 1 1 37 37 GLU C C 37 176.592 176.592 176.947 -0.355 25433 2270 1 12 . 1 1 37 37 GLU CA C 37 56.475 56.475 57.152 -0.677 25433 2271 1 12 . 1 1 37 37 GLU CB C 37 30.170 30.170 28.767 1.403 25433 2272 1 12 . 1 1 37 37 GLU H H 37 8.161 8.161 8.241 -0.080 25433 2273 1 12 . 1 1 38 38 GLN N N 38 120.895 120.895 120.462 0.433 25433 2274 1 12 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.304 -0.050 25433 2275 1 12 . 1 1 38 38 GLN C C 38 175.615 175.615 174.861 0.754 25433 2276 1 12 . 1 1 38 38 GLN CA C 38 55.689 55.689 55.960 -0.271 25433 2277 1 12 . 1 1 38 38 GLN CB C 38 29.560 29.560 28.040 1.520 25433 2278 1 12 . 1 1 38 38 GLN H H 38 8.262 8.262 8.576 -0.314 25433 2279 1 12 . 1 1 39 39 LYS N N 39 122.996 122.996 122.787 0.209 25433 2280 1 12 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.554 -0.258 25433 2281 1 12 . 1 1 39 39 LYS C C 39 176.240 176.240 174.891 1.349 25433 2282 1 12 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.630 0.165 25433 2283 1 12 . 1 1 39 39 LYS CB C 39 32.981 32.981 34.476 -1.495 25433 2284 1 12 . 1 1 39 39 LYS H H 39 8.416 8.416 7.778 0.638 25433 2285 1 12 . 1 1 40 40 LEU N N 40 123.709 123.709 122.712 0.997 25433 2286 1 12 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.056 0.519 25433 2287 1 12 . 1 1 40 40 LEU CA C 40 52.786 52.786 55.174 -2.388 25433 2288 1 12 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.346 0.121 25433 2289 1 12 . 1 1 40 40 LEU H H 40 8.292 8.292 8.755 -0.463 25433 2290 1 12 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.349 -0.001 25433 2291 1 12 . 1 1 41 41 PRO CA C 41 61.562 61.562 64.210 -2.648 25433 2292 1 12 . 1 1 41 41 PRO CB C 41 32.340 32.340 32.106 0.234 25433 2293 1 13 . 1 1 7 7 ASN N N 7 121.300 121.300 117.974 3.326 25433 2294 1 13 . 1 1 7 7 ASN CB C 7 30.000 30.000 37.783 -7.783 25433 2295 1 13 . 1 1 7 7 ASN H H 7 8.535 8.535 8.264 0.271 25433 2296 1 13 . 1 1 8 8 GLU N N 8 119.801 119.801 119.874 -0.073 25433 2297 1 13 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.105 0.335 25433 2298 1 13 . 1 1 8 8 GLU C C 8 175.693 175.693 176.318 -0.625 25433 2299 1 13 . 1 1 8 8 GLU CA C 8 55.855 55.855 57.684 -1.829 25433 2300 1 13 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.043 0.986 25433 2301 1 13 . 1 1 8 8 GLU H H 8 8.372 8.372 8.186 0.186 25433 2302 1 13 . 1 1 9 9 ASP N N 9 120.567 120.567 116.399 4.168 25433 2303 1 13 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.475 0.252 25433 2304 1 13 . 1 1 9 9 ASP C C 9 175.618 175.618 175.144 0.474 25433 2305 1 13 . 1 1 9 9 ASP CA C 9 54.857 54.857 54.901 -0.044 25433 2306 1 13 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.237 0.093 25433 2307 1 13 . 1 1 9 9 ASP H H 9 8.158 8.158 7.936 0.222 25433 2308 1 13 . 1 1 10 10 TRP N N 10 116.757 116.757 121.904 -5.147 25433 2309 1 13 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.869 0.145 25433 2310 1 13 . 1 1 10 10 TRP C C 10 173.732 173.732 174.503 -0.771 25433 2311 1 13 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.376 -1.339 25433 2312 1 13 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.089 1.281 25433 2313 1 13 . 1 1 10 10 TRP H H 10 8.476 8.476 8.097 0.379 25433 2314 1 13 . 1 1 11 11 LEU N N 11 122.486 122.486 127.241 -4.755 25433 2315 1 13 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.618 -0.099 25433 2316 1 13 . 1 1 11 11 LEU C C 11 176.547 176.547 176.730 -0.183 25433 2317 1 13 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.998 -0.681 25433 2318 1 13 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.138 1.522 25433 2319 1 13 . 1 1 11 11 LEU H H 11 8.810 8.810 8.445 0.365 25433 2320 1 13 . 1 1 12 12 CYS N N 12 126.739 126.739 125.717 1.022 25433 2321 1 13 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.668 -0.081 25433 2322 1 13 . 1 1 12 12 CYS C C 12 177.636 177.636 176.461 1.175 25433 2323 1 13 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.093 0.413 25433 2324 1 13 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.598 1.732 25433 2325 1 13 . 1 1 12 12 CYS H H 12 8.574 8.574 8.306 0.268 25433 2326 1 13 . 1 1 13 13 ASN N N 13 127.516 127.516 123.999 3.517 25433 2327 1 13 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.757 -0.223 25433 2328 1 13 . 1 1 13 13 ASN C C 13 175.471 175.471 175.233 0.238 25433 2329 1 13 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.497 0.475 25433 2330 1 13 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.143 0.633 25433 2331 1 13 . 1 1 13 13 ASN H H 13 9.229 9.229 9.051 0.178 25433 2332 1 13 . 1 1 14 14 LYS N N 14 120.919 120.919 119.500 1.419 25433 2333 1 13 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.554 -0.195 25433 2334 1 13 . 1 1 14 14 LYS C C 14 178.199 178.199 178.082 0.117 25433 2335 1 13 . 1 1 14 14 LYS CA C 14 57.428 57.428 57.468 -0.040 25433 2336 1 13 . 1 1 14 14 LYS CB C 14 32.706 32.706 33.824 -1.118 25433 2337 1 13 . 1 1 14 14 LYS H H 14 9.274 9.274 7.933 1.341 25433 2338 1 13 . 1 1 15 15 CYS N N 15 119.236 119.236 116.393 2.843 25433 2339 1 13 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.527 0.195 25433 2340 1 13 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.689 4.665 25433 2341 1 13 . 1 1 15 15 CYS H H 15 9.014 9.014 7.896 1.118 25433 2342 1 13 . 1 1 16 16 GLY N N 16 110.235 110.235 109.476 0.759 25433 2343 1 13 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.475 0.820 25433 2344 1 13 . 1 1 16 16 GLY H H 16 7.817 7.817 8.528 -0.711 25433 2345 1 13 . 1 1 17 17 VAL N N 17 121.337 121.337 114.214 7.123 25433 2346 1 13 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.410 -0.160 25433 2347 1 13 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.279 0.845 25433 2348 1 13 . 1 1 17 17 VAL CB C 17 33.392 33.392 34.200 -0.808 25433 2349 1 13 . 1 1 17 17 VAL H H 17 8.220 8.220 7.123 1.097 25433 2350 1 13 . 1 1 18 18 GLN N N 18 121.310 121.310 125.470 -4.160 25433 2351 1 13 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.325 0.028 25433 2352 1 13 . 1 1 18 18 GLN C C 18 174.823 174.823 174.521 0.302 25433 2353 1 13 . 1 1 18 18 GLN CA C 18 55.308 55.308 55.043 0.265 25433 2354 1 13 . 1 1 18 18 GLN CB C 18 29.505 29.505 28.834 0.671 25433 2355 1 13 . 1 1 18 18 GLN H H 18 8.218 8.218 8.560 -0.342 25433 2356 1 13 . 1 1 19 19 ASN N N 19 122.482 122.482 124.945 -2.463 25433 2357 1 13 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.777 -0.287 25433 2358 1 13 . 1 1 19 19 ASN C C 19 173.360 173.360 173.627 -0.267 25433 2359 1 13 . 1 1 19 19 ASN CA C 19 52.058 52.058 52.240 -0.182 25433 2360 1 13 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.138 4.234 25433 2361 1 13 . 1 1 19 19 ASN H H 19 9.041 9.041 8.433 0.608 25433 2362 1 13 . 1 1 20 20 PHE N N 20 117.484 117.484 119.819 -2.335 25433 2363 1 13 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.757 -0.099 25433 2364 1 13 . 1 1 20 20 PHE C C 20 176.810 176.810 175.659 1.151 25433 2365 1 13 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.464 0.322 25433 2366 1 13 . 1 1 20 20 PHE CB C 20 40.003 40.003 39.336 0.667 25433 2367 1 13 . 1 1 20 20 PHE H H 20 7.846 7.846 8.285 -0.439 25433 2368 1 13 . 1 1 21 21 LYS N N 21 120.464 120.464 121.169 -0.705 25433 2369 1 13 . 1 1 21 21 LYS HA H 21 4.128 4.128 4.020 0.108 25433 2370 1 13 . 1 1 21 21 LYS C C 21 176.254 176.254 178.061 -1.807 25433 2371 1 13 . 1 1 21 21 LYS CA C 21 58.878 58.878 59.871 -0.993 25433 2372 1 13 . 1 1 21 21 LYS CB C 21 32.334 32.334 31.102 1.232 25433 2373 1 13 . 1 1 21 21 LYS H H 21 8.516 8.516 8.689 -0.173 25433 2374 1 13 . 1 1 22 22 ARG N N 22 112.820 112.820 118.811 -5.991 25433 2375 1 13 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.126 0.103 25433 2376 1 13 . 1 1 22 22 ARG C C 22 176.851 176.851 176.933 -0.082 25433 2377 1 13 . 1 1 22 22 ARG CA C 22 56.426 56.426 56.960 -0.534 25433 2378 1 13 . 1 1 22 22 ARG CB C 22 29.732 29.732 29.682 0.050 25433 2379 1 13 . 1 1 22 22 ARG H H 22 7.125 7.125 7.872 -0.747 25433 2380 1 13 . 1 1 23 23 ARG N N 23 119.307 119.307 119.916 -0.609 25433 2381 1 13 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.405 -0.023 25433 2382 1 13 . 1 1 23 23 ARG C C 23 177.143 177.143 177.317 -0.174 25433 2383 1 13 . 1 1 23 23 ARG CA C 23 57.037 57.037 56.361 0.676 25433 2384 1 13 . 1 1 23 23 ARG CB C 23 30.944 30.944 29.434 1.510 25433 2385 1 13 . 1 1 23 23 ARG H H 23 8.349 8.349 8.014 0.335 25433 2386 1 13 . 1 1 24 24 GLU N N 24 120.195 120.195 124.248 -4.053 25433 2387 1 13 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.023 0.241 25433 2388 1 13 . 1 1 24 24 GLU C C 24 176.371 176.371 175.990 0.381 25433 2389 1 13 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.500 -2.525 25433 2390 1 13 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.478 0.341 25433 2391 1 13 . 1 1 24 24 GLU H H 24 8.967 8.967 8.595 0.372 25433 2392 1 13 . 1 1 25 25 LYS N N 25 116.632 116.632 115.557 1.075 25433 2393 1 13 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.126 -0.220 25433 2394 1 13 . 1 1 25 25 LYS C C 25 174.820 174.820 176.403 -1.583 25433 2395 1 13 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.306 -0.242 25433 2396 1 13 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.167 -0.424 25433 2397 1 13 . 1 1 25 25 LYS H H 25 7.862 7.862 7.703 0.159 25433 2398 1 13 . 1 1 26 26 CYS N N 26 124.535 124.535 119.072 5.463 25433 2399 1 13 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.823 -0.642 25433 2400 1 13 . 1 1 26 26 CYS C C 26 178.895 178.895 177.357 1.538 25433 2401 1 13 . 1 1 26 26 CYS CA C 26 59.174 59.174 61.040 -1.866 25433 2402 1 13 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.177 3.765 25433 2403 1 13 . 1 1 26 26 CYS H H 26 8.678 8.678 8.488 0.190 25433 2404 1 13 . 1 1 27 27 PHE N N 27 129.286 129.286 123.182 6.104 25433 2405 1 13 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.269 0.081 25433 2406 1 13 . 1 1 27 27 PHE C C 27 174.408 174.408 175.421 -1.013 25433 2407 1 13 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.119 -0.393 25433 2408 1 13 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.725 -0.301 25433 2409 1 13 . 1 1 27 27 PHE H H 27 9.344 9.344 8.604 0.740 25433 2410 1 13 . 1 1 28 28 LYS N N 28 124.525 124.525 113.830 10.695 25433 2411 1 13 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.151 -0.088 25433 2412 1 13 . 1 1 28 28 LYS C C 28 177.362 177.362 176.453 0.909 25433 2413 1 13 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.515 0.729 25433 2414 1 13 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.197 2.113 25433 2415 1 13 . 1 1 28 28 LYS H H 28 8.765 8.765 7.405 1.360 25433 2416 1 13 . 1 1 29 29 CYS N N 29 117.596 117.596 119.025 -1.429 25433 2417 1 13 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.460 0.337 25433 2418 1 13 . 1 1 29 29 CYS C C 29 177.501 177.501 175.993 1.508 25433 2419 1 13 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.561 -0.640 25433 2420 1 13 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.153 5.935 25433 2421 1 13 . 1 1 29 29 CYS H H 29 8.357 8.357 8.140 0.217 25433 2422 1 13 . 1 1 30 30 GLY N N 30 110.623 110.623 108.595 2.028 25433 2423 1 13 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.675 0.460 25433 2424 1 13 . 1 1 30 30 GLY H H 30 7.519 7.519 7.673 -0.154 25433 2425 1 13 . 1 1 31 31 VAL N N 31 122.592 122.592 119.412 3.180 25433 2426 1 13 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.304 0.044 25433 2427 1 13 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.440 2.151 25433 2428 1 13 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.607 -1.369 25433 2429 1 13 . 1 1 31 31 VAL H H 31 8.120 8.120 7.764 0.356 25433 2430 1 13 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.522 0.128 25433 2431 1 13 . 1 1 32 32 PRO C C 32 176.413 176.413 177.530 -1.117 25433 2432 1 13 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.756 0.016 25433 2433 1 13 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.334 0.316 25433 2434 1 13 . 1 1 33 33 LYS N N 33 122.957 122.957 123.534 -0.577 25433 2435 1 13 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.804 0.305 25433 2436 1 13 . 1 1 33 33 LYS C C 33 176.726 176.726 177.874 -1.148 25433 2437 1 13 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.095 -0.736 25433 2438 1 13 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.369 1.331 25433 2439 1 13 . 1 1 33 33 LYS H H 33 7.956 7.956 8.283 -0.327 25433 2440 1 13 . 1 1 34 34 SER N N 34 112.323 112.323 113.434 -1.111 25433 2441 1 13 . 1 1 34 34 SER HA H 34 4.138 4.138 4.119 0.019 25433 2442 1 13 . 1 1 34 34 SER C C 34 175.141 175.141 175.609 -0.468 25433 2443 1 13 . 1 1 34 34 SER CA C 34 59.160 59.160 61.246 -2.086 25433 2444 1 13 . 1 1 34 34 SER CB C 34 62.820 62.820 62.764 0.056 25433 2445 1 13 . 1 1 34 34 SER H H 34 8.139 8.139 8.322 -0.183 25433 2446 1 13 . 1 1 35 35 GLU N N 35 120.171 120.171 121.592 -1.421 25433 2447 1 13 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.367 -0.116 25433 2448 1 13 . 1 1 35 35 GLU C C 35 176.796 176.796 174.510 2.286 25433 2449 1 13 . 1 1 35 35 GLU CA C 35 56.589 56.589 55.193 1.396 25433 2450 1 13 . 1 1 35 35 GLU CB C 35 30.584 30.584 27.908 2.676 25433 2451 1 13 . 1 1 35 35 GLU H H 35 7.750 7.750 7.698 0.052 25433 2452 1 13 . 1 1 36 36 ALA N N 36 122.364 122.364 122.388 -0.024 25433 2453 1 13 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.645 -0.373 25433 2454 1 13 . 1 1 36 36 ALA C C 36 177.942 177.942 176.709 1.233 25433 2455 1 13 . 1 1 36 36 ALA CA C 36 52.881 52.881 52.733 0.148 25433 2456 1 13 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.581 0.006 25433 2457 1 13 . 1 1 36 36 ALA H H 36 8.216 8.216 7.626 0.590 25433 2458 1 13 . 1 1 37 37 GLU N N 37 117.040 117.040 121.009 -3.969 25433 2459 1 13 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.445 -0.092 25433 2460 1 13 . 1 1 37 37 GLU C C 37 176.592 176.592 176.216 0.376 25433 2461 1 13 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.712 0.763 25433 2462 1 13 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.180 -0.010 25433 2463 1 13 . 1 1 37 37 GLU H H 37 8.161 8.161 8.043 0.118 25433 2464 1 13 . 1 1 38 38 GLN N N 38 120.895 120.895 121.435 -0.540 25433 2465 1 13 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.311 -0.057 25433 2466 1 13 . 1 1 38 38 GLN C C 38 175.615 175.615 176.541 -0.926 25433 2467 1 13 . 1 1 38 38 GLN CA C 38 55.689 55.689 55.745 -0.056 25433 2468 1 13 . 1 1 38 38 GLN CB C 38 29.560 29.560 29.252 0.308 25433 2469 1 13 . 1 1 38 38 GLN H H 38 8.262 8.262 8.331 -0.069 25433 2470 1 13 . 1 1 39 39 LYS N N 39 122.996 122.996 119.864 3.132 25433 2471 1 13 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.036 0.260 25433 2472 1 13 . 1 1 39 39 LYS C C 39 176.240 176.240 175.064 1.176 25433 2473 1 13 . 1 1 39 39 LYS CA C 39 55.795 55.795 56.406 -0.611 25433 2474 1 13 . 1 1 39 39 LYS CB C 39 32.981 32.981 31.985 0.996 25433 2475 1 13 . 1 1 39 39 LYS H H 39 8.416 8.416 8.476 -0.060 25433 2476 1 13 . 1 1 40 40 LEU N N 40 123.709 123.709 123.879 -0.170 25433 2477 1 13 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.489 0.086 25433 2478 1 13 . 1 1 40 40 LEU CA C 40 52.786 52.786 52.754 0.032 25433 2479 1 13 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.875 -0.407 25433 2480 1 13 . 1 1 40 40 LEU H H 40 8.292 8.292 7.985 0.307 25433 2481 1 13 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.412 -0.064 25433 2482 1 13 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.192 -1.630 25433 2483 1 13 . 1 1 41 41 PRO CB C 41 32.340 32.340 30.087 2.253 25433 2484 1 14 . 1 1 7 7 ASN N N 7 121.300 121.300 124.179 -2.879 25433 2485 1 14 . 1 1 7 7 ASN CB C 7 30.000 30.000 38.604 -8.604 25433 2486 1 14 . 1 1 7 7 ASN H H 7 8.535 8.535 8.512 0.023 25433 2487 1 14 . 1 1 8 8 GLU N N 8 119.801 119.801 120.942 -1.141 25433 2488 1 14 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.121 0.319 25433 2489 1 14 . 1 1 8 8 GLU C C 8 175.693 175.693 175.942 -0.249 25433 2490 1 14 . 1 1 8 8 GLU CA C 8 55.855 55.855 57.886 -2.031 25433 2491 1 14 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.122 0.907 25433 2492 1 14 . 1 1 8 8 GLU H H 8 8.372 8.372 8.643 -0.271 25433 2493 1 14 . 1 1 9 9 ASP N N 9 120.567 120.567 117.196 3.371 25433 2494 1 14 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.365 0.362 25433 2495 1 14 . 1 1 9 9 ASP C C 9 175.618 175.618 174.872 0.746 25433 2496 1 14 . 1 1 9 9 ASP CA C 9 54.857 54.857 55.622 -0.765 25433 2497 1 14 . 1 1 9 9 ASP CB C 9 41.330 41.330 40.253 1.077 25433 2498 1 14 . 1 1 9 9 ASP H H 9 8.158 8.158 7.858 0.300 25433 2499 1 14 . 1 1 10 10 TRP N N 10 116.757 116.757 116.277 0.480 25433 2500 1 14 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.947 0.067 25433 2501 1 14 . 1 1 10 10 TRP C C 10 173.732 173.732 173.303 0.429 25433 2502 1 14 . 1 1 10 10 TRP CA C 10 54.037 54.037 56.267 -2.230 25433 2503 1 14 . 1 1 10 10 TRP CB C 10 31.370 31.370 31.056 0.314 25433 2504 1 14 . 1 1 10 10 TRP H H 10 8.476 8.476 8.280 0.196 25433 2505 1 14 . 1 1 11 11 LEU N N 11 122.486 122.486 122.461 0.025 25433 2506 1 14 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.080 -0.561 25433 2507 1 14 . 1 1 11 11 LEU C C 11 176.547 176.547 176.088 0.459 25433 2508 1 14 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.086 0.231 25433 2509 1 14 . 1 1 11 11 LEU CB C 11 43.660 43.660 44.444 -0.784 25433 2510 1 14 . 1 1 11 11 LEU H H 11 8.810 8.810 8.710 0.100 25433 2511 1 14 . 1 1 12 12 CYS N N 12 126.739 126.739 123.334 3.405 25433 2512 1 14 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.681 -0.094 25433 2513 1 14 . 1 1 12 12 CYS C C 12 177.636 177.636 175.953 1.683 25433 2514 1 14 . 1 1 12 12 CYS CA C 12 59.506 59.506 60.461 -0.955 25433 2515 1 14 . 1 1 12 12 CYS CB C 12 31.330 31.330 28.759 2.571 25433 2516 1 14 . 1 1 12 12 CYS H H 12 8.574 8.574 8.686 -0.112 25433 2517 1 14 . 1 1 13 13 ASN N N 13 127.516 127.516 120.765 6.751 25433 2518 1 14 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.801 -0.267 25433 2519 1 14 . 1 1 13 13 ASN C C 13 175.471 175.471 175.531 -0.060 25433 2520 1 14 . 1 1 13 13 ASN CA C 13 54.972 54.972 55.052 -0.080 25433 2521 1 14 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.219 0.557 25433 2522 1 14 . 1 1 13 13 ASN H H 13 9.229 9.229 8.891 0.338 25433 2523 1 14 . 1 1 14 14 LYS N N 14 120.919 120.919 120.013 0.906 25433 2524 1 14 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.318 0.041 25433 2525 1 14 . 1 1 14 14 LYS C C 14 178.199 178.199 178.053 0.146 25433 2526 1 14 . 1 1 14 14 LYS CA C 14 57.428 57.428 57.989 -0.561 25433 2527 1 14 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.846 -0.140 25433 2528 1 14 . 1 1 14 14 LYS H H 14 9.274 9.274 8.279 0.995 25433 2529 1 14 . 1 1 15 15 CYS N N 15 119.236 119.236 115.229 4.007 25433 2530 1 14 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.518 0.204 25433 2531 1 14 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.380 4.973 25433 2532 1 14 . 1 1 15 15 CYS H H 15 9.014 9.014 7.992 1.022 25433 2533 1 14 . 1 1 16 16 GLY N N 16 110.235 110.235 110.788 -0.553 25433 2534 1 14 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.024 1.271 25433 2535 1 14 . 1 1 16 16 GLY H H 16 7.817 7.817 8.447 -0.630 25433 2536 1 14 . 1 1 17 17 VAL N N 17 121.337 121.337 114.276 7.061 25433 2537 1 14 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.557 -0.307 25433 2538 1 14 . 1 1 17 17 VAL CA C 17 61.124 61.124 59.564 1.560 25433 2539 1 14 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.945 -0.553 25433 2540 1 14 . 1 1 17 17 VAL H H 17 8.220 8.220 7.555 0.665 25433 2541 1 14 . 1 1 18 18 GLN N N 18 121.310 121.310 121.034 0.276 25433 2542 1 14 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.352 0.001 25433 2543 1 14 . 1 1 18 18 GLN C C 18 174.823 174.823 174.752 0.071 25433 2544 1 14 . 1 1 18 18 GLN CA C 18 55.308 55.308 55.599 -0.291 25433 2545 1 14 . 1 1 18 18 GLN CB C 18 29.505 29.505 29.492 0.013 25433 2546 1 14 . 1 1 18 18 GLN H H 18 8.218 8.218 8.442 -0.224 25433 2547 1 14 . 1 1 19 19 ASN N N 19 122.482 122.482 124.266 -1.784 25433 2548 1 14 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.802 -0.312 25433 2549 1 14 . 1 1 19 19 ASN C C 19 173.360 173.360 173.776 -0.416 25433 2550 1 14 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.776 0.282 25433 2551 1 14 . 1 1 19 19 ASN CB C 19 43.372 43.372 41.813 1.559 25433 2552 1 14 . 1 1 19 19 ASN H H 19 9.041 9.041 8.172 0.869 25433 2553 1 14 . 1 1 20 20 PHE N N 20 117.484 117.484 121.838 -4.354 25433 2554 1 14 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.523 0.135 25433 2555 1 14 . 1 1 20 20 PHE C C 20 176.810 176.810 176.666 0.144 25433 2556 1 14 . 1 1 20 20 PHE CA C 20 56.786 56.786 59.767 -2.981 25433 2557 1 14 . 1 1 20 20 PHE CB C 20 40.003 40.003 40.334 -0.332 25433 2558 1 14 . 1 1 20 20 PHE H H 20 7.846 7.846 8.714 -0.868 25433 2559 1 14 . 1 1 21 21 LYS N N 21 120.464 120.464 123.678 -3.214 25433 2560 1 14 . 1 1 21 21 LYS HA H 21 4.128 4.128 4.368 -0.240 25433 2561 1 14 . 1 1 21 21 LYS C C 21 176.254 176.254 177.550 -1.296 25433 2562 1 14 . 1 1 21 21 LYS CA C 21 58.878 58.878 59.075 -0.197 25433 2563 1 14 . 1 1 21 21 LYS CB C 21 32.334 32.334 32.476 -0.142 25433 2564 1 14 . 1 1 21 21 LYS H H 21 8.516 8.516 7.789 0.727 25433 2565 1 14 . 1 1 22 22 ARG N N 22 112.820 112.820 115.158 -2.338 25433 2566 1 14 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.479 -0.250 25433 2567 1 14 . 1 1 22 22 ARG C C 22 176.851 176.851 176.925 -0.074 25433 2568 1 14 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.148 1.278 25433 2569 1 14 . 1 1 22 22 ARG CB C 22 29.732 29.732 29.937 -0.205 25433 2570 1 14 . 1 1 22 22 ARG H H 22 7.125 7.125 8.507 -1.382 25433 2571 1 14 . 1 1 23 23 ARG N N 23 119.307 119.307 122.449 -3.142 25433 2572 1 14 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.388 -0.006 25433 2573 1 14 . 1 1 23 23 ARG C C 23 177.143 177.143 176.723 0.420 25433 2574 1 14 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.794 1.243 25433 2575 1 14 . 1 1 23 23 ARG CB C 23 30.944 30.944 28.690 2.254 25433 2576 1 14 . 1 1 23 23 ARG H H 23 8.349 8.349 8.004 0.345 25433 2577 1 14 . 1 1 24 24 GLU N N 24 120.195 120.195 124.134 -3.939 25433 2578 1 14 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.018 0.246 25433 2579 1 14 . 1 1 24 24 GLU C C 24 176.371 176.371 176.014 0.357 25433 2580 1 14 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.869 -2.894 25433 2581 1 14 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.300 0.519 25433 2582 1 14 . 1 1 24 24 GLU H H 24 8.967 8.967 8.318 0.649 25433 2583 1 14 . 1 1 25 25 LYS N N 25 116.632 116.632 115.285 1.347 25433 2584 1 14 . 1 1 25 25 LYS HA H 25 4.906 4.906 4.876 0.030 25433 2585 1 14 . 1 1 25 25 LYS C C 25 174.820 174.820 175.744 -0.924 25433 2586 1 14 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.095 -0.031 25433 2587 1 14 . 1 1 25 25 LYS CB C 25 35.743 35.743 35.879 -0.136 25433 2588 1 14 . 1 1 25 25 LYS H H 25 7.862 7.862 7.632 0.230 25433 2589 1 14 . 1 1 26 26 CYS N N 26 124.535 124.535 121.715 2.820 25433 2590 1 14 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.679 -0.498 25433 2591 1 14 . 1 1 26 26 CYS C C 26 178.895 178.895 177.289 1.606 25433 2592 1 14 . 1 1 26 26 CYS CA C 26 59.174 59.174 59.676 -0.502 25433 2593 1 14 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.713 3.229 25433 2594 1 14 . 1 1 26 26 CYS H H 26 8.678 8.678 8.517 0.161 25433 2595 1 14 . 1 1 27 27 PHE N N 27 129.286 129.286 126.682 2.604 25433 2596 1 14 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.399 -0.049 25433 2597 1 14 . 1 1 27 27 PHE C C 27 174.408 174.408 175.554 -1.146 25433 2598 1 14 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.960 -0.234 25433 2599 1 14 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.531 -0.107 25433 2600 1 14 . 1 1 27 27 PHE H H 27 9.344 9.344 9.077 0.267 25433 2601 1 14 . 1 1 28 28 LYS N N 28 124.525 124.525 114.801 9.724 25433 2602 1 14 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.220 -0.157 25433 2603 1 14 . 1 1 28 28 LYS C C 28 177.362 177.362 177.046 0.316 25433 2604 1 14 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.361 0.883 25433 2605 1 14 . 1 1 28 28 LYS CB C 28 33.310 33.310 32.074 1.236 25433 2606 1 14 . 1 1 28 28 LYS H H 28 8.765 8.765 7.127 1.638 25433 2607 1 14 . 1 1 29 29 CYS N N 29 117.596 117.596 119.523 -1.927 25433 2608 1 14 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.549 0.248 25433 2609 1 14 . 1 1 29 29 CYS C C 29 177.501 177.501 175.509 1.992 25433 2610 1 14 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.320 -0.399 25433 2611 1 14 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.295 4.793 25433 2612 1 14 . 1 1 29 29 CYS H H 29 8.357 8.357 7.686 0.671 25433 2613 1 14 . 1 1 30 30 GLY N N 30 110.623 110.623 108.265 2.358 25433 2614 1 14 . 1 1 30 30 GLY CA C 30 46.135 46.135 46.078 0.057 25433 2615 1 14 . 1 1 30 30 GLY H H 30 7.519 7.519 7.675 -0.156 25433 2616 1 14 . 1 1 31 31 VAL N N 31 122.592 122.592 121.188 1.404 25433 2617 1 14 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.210 0.138 25433 2618 1 14 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.573 2.018 25433 2619 1 14 . 1 1 31 31 VAL CB C 31 32.238 32.238 32.799 -0.561 25433 2620 1 14 . 1 1 31 31 VAL H H 31 8.120 8.120 7.785 0.335 25433 2621 1 14 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.582 0.068 25433 2622 1 14 . 1 1 32 32 PRO C C 32 176.413 176.413 177.589 -1.176 25433 2623 1 14 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.337 0.435 25433 2624 1 14 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.487 0.163 25433 2625 1 14 . 1 1 33 33 LYS N N 33 122.957 122.957 122.620 0.337 25433 2626 1 14 . 1 1 33 33 LYS HA H 33 3.109 3.109 3.241 -0.132 25433 2627 1 14 . 1 1 33 33 LYS C C 33 176.726 176.726 176.871 -0.145 25433 2628 1 14 . 1 1 33 33 LYS CA C 33 58.359 58.359 58.032 0.327 25433 2629 1 14 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.674 1.026 25433 2630 1 14 . 1 1 33 33 LYS H H 33 7.956 7.956 8.361 -0.405 25433 2631 1 14 . 1 1 34 34 SER N N 34 112.323 112.323 112.344 -0.021 25433 2632 1 14 . 1 1 34 34 SER HA H 34 4.138 4.138 4.230 -0.092 25433 2633 1 14 . 1 1 34 34 SER C C 34 175.141 175.141 175.433 -0.292 25433 2634 1 14 . 1 1 34 34 SER CA C 34 59.160 59.160 60.920 -1.760 25433 2635 1 14 . 1 1 34 34 SER CB C 34 62.820 62.820 63.023 -0.203 25433 2636 1 14 . 1 1 34 34 SER H H 34 8.139 8.139 8.225 -0.086 25433 2637 1 14 . 1 1 35 35 GLU N N 35 120.171 120.171 118.373 1.798 25433 2638 1 14 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.352 -0.101 25433 2639 1 14 . 1 1 35 35 GLU C C 35 176.796 176.796 176.099 0.697 25433 2640 1 14 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.240 0.349 25433 2641 1 14 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.433 0.151 25433 2642 1 14 . 1 1 35 35 GLU H H 35 7.750 7.750 7.430 0.320 25433 2643 1 14 . 1 1 36 36 ALA N N 36 122.364 122.364 122.068 0.296 25433 2644 1 14 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.328 -0.056 25433 2645 1 14 . 1 1 36 36 ALA C C 36 177.942 177.942 175.947 1.995 25433 2646 1 14 . 1 1 36 36 ALA CA C 36 52.881 52.881 50.969 1.912 25433 2647 1 14 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.524 0.063 25433 2648 1 14 . 1 1 36 36 ALA H H 36 8.216 8.216 7.027 1.189 25433 2649 1 14 . 1 1 37 37 GLU N N 37 117.040 117.040 117.041 -0.001 25433 2650 1 14 . 1 1 37 37 GLU HA H 37 4.353 4.353 3.976 0.377 25433 2651 1 14 . 1 1 37 37 GLU C C 37 176.592 176.592 175.807 0.785 25433 2652 1 14 . 1 1 37 37 GLU CA C 37 56.475 56.475 56.639 -0.164 25433 2653 1 14 . 1 1 37 37 GLU CB C 37 30.170 30.170 29.961 0.209 25433 2654 1 14 . 1 1 37 37 GLU H H 37 8.161 8.161 8.669 -0.508 25433 2655 1 14 . 1 1 38 38 GLN N N 38 120.895 120.895 124.263 -3.368 25433 2656 1 14 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.194 0.060 25433 2657 1 14 . 1 1 38 38 GLN C C 38 175.615 175.615 175.333 0.282 25433 2658 1 14 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.464 -0.775 25433 2659 1 14 . 1 1 38 38 GLN CB C 38 29.560 29.560 28.449 1.111 25433 2660 1 14 . 1 1 38 38 GLN H H 38 8.262 8.262 8.359 -0.097 25433 2661 1 14 . 1 1 39 39 LYS N N 39 122.996 122.996 124.288 -1.292 25433 2662 1 14 . 1 1 39 39 LYS HA H 39 4.296 4.296 3.946 0.350 25433 2663 1 14 . 1 1 39 39 LYS C C 39 176.240 176.240 174.538 1.702 25433 2664 1 14 . 1 1 39 39 LYS CA C 39 55.795 55.795 56.830 -1.035 25433 2665 1 14 . 1 1 39 39 LYS CB C 39 32.981 32.981 32.262 0.719 25433 2666 1 14 . 1 1 39 39 LYS H H 39 8.416 8.416 8.269 0.147 25433 2667 1 14 . 1 1 40 40 LEU N N 40 123.709 123.709 124.958 -1.249 25433 2668 1 14 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.427 0.148 25433 2669 1 14 . 1 1 40 40 LEU CA C 40 52.786 52.786 53.311 -0.525 25433 2670 1 14 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.954 -0.486 25433 2671 1 14 . 1 1 40 40 LEU H H 40 8.292 8.292 8.213 0.079 25433 2672 1 14 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.419 -0.071 25433 2673 1 14 . 1 1 41 41 PRO CA C 41 61.562 61.562 62.810 -1.248 25433 2674 1 14 . 1 1 41 41 PRO CB C 41 32.340 32.340 32.153 0.188 25433 2675 1 15 . 1 1 7 7 ASN N N 7 121.300 121.300 118.273 3.027 25433 2676 1 15 . 1 1 7 7 ASN CB C 7 30.000 30.000 39.753 -9.753 25433 2677 1 15 . 1 1 7 7 ASN H H 7 8.535 8.535 7.934 0.601 25433 2678 1 15 . 1 1 8 8 GLU N N 8 119.801 119.801 120.755 -0.954 25433 2679 1 15 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.376 0.064 25433 2680 1 15 . 1 1 8 8 GLU C C 8 175.693 175.693 175.787 -0.094 25433 2681 1 15 . 1 1 8 8 GLU CA C 8 55.855 55.855 55.702 0.153 25433 2682 1 15 . 1 1 8 8 GLU CB C 8 31.029 31.029 29.967 1.062 25433 2683 1 15 . 1 1 8 8 GLU H H 8 8.372 8.372 8.645 -0.273 25433 2684 1 15 . 1 1 9 9 ASP N N 9 120.567 120.567 119.264 1.303 25433 2685 1 15 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.564 0.163 25433 2686 1 15 . 1 1 9 9 ASP C C 9 175.618 175.618 175.865 -0.247 25433 2687 1 15 . 1 1 9 9 ASP CA C 9 54.857 54.857 54.894 -0.037 25433 2688 1 15 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.075 0.255 25433 2689 1 15 . 1 1 9 9 ASP H H 9 8.158 8.158 7.875 0.283 25433 2690 1 15 . 1 1 10 10 TRP N N 10 116.757 116.757 116.555 0.202 25433 2691 1 15 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.919 0.095 25433 2692 1 15 . 1 1 10 10 TRP C C 10 173.732 173.732 174.103 -0.371 25433 2693 1 15 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.563 -1.526 25433 2694 1 15 . 1 1 10 10 TRP CB C 10 31.370 31.370 31.544 -0.173 25433 2695 1 15 . 1 1 10 10 TRP H H 10 8.476 8.476 7.877 0.599 25433 2696 1 15 . 1 1 11 11 LEU N N 11 122.486 122.486 122.496 -0.010 25433 2697 1 15 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.118 -0.599 25433 2698 1 15 . 1 1 11 11 LEU C C 11 176.547 176.547 176.212 0.335 25433 2699 1 15 . 1 1 11 11 LEU CA C 11 53.317 53.317 52.856 0.461 25433 2700 1 15 . 1 1 11 11 LEU CB C 11 43.660 43.660 44.333 -0.673 25433 2701 1 15 . 1 1 11 11 LEU H H 11 8.810 8.810 8.580 0.230 25433 2702 1 15 . 1 1 12 12 CYS N N 12 126.739 126.739 123.675 3.064 25433 2703 1 15 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.759 -0.172 25433 2704 1 15 . 1 1 12 12 CYS C C 12 177.636 177.636 175.549 2.087 25433 2705 1 15 . 1 1 12 12 CYS CA C 12 59.506 59.506 58.865 0.641 25433 2706 1 15 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.715 1.615 25433 2707 1 15 . 1 1 12 12 CYS H H 12 8.574 8.574 8.460 0.114 25433 2708 1 15 . 1 1 13 13 ASN N N 13 127.516 127.516 119.004 8.512 25433 2709 1 15 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.806 -0.272 25433 2710 1 15 . 1 1 13 13 ASN C C 13 175.471 175.471 176.096 -0.625 25433 2711 1 15 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.647 0.325 25433 2712 1 15 . 1 1 13 13 ASN CB C 13 38.776 38.776 39.455 -0.679 25433 2713 1 15 . 1 1 13 13 ASN H H 13 9.229 9.229 8.872 0.357 25433 2714 1 15 . 1 1 14 14 LYS N N 14 120.919 120.919 120.334 0.585 25433 2715 1 15 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.306 0.053 25433 2716 1 15 . 1 1 14 14 LYS C C 14 178.199 178.199 177.973 0.226 25433 2717 1 15 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.732 -1.304 25433 2718 1 15 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.812 -0.105 25433 2719 1 15 . 1 1 14 14 LYS H H 14 9.274 9.274 8.387 0.887 25433 2720 1 15 . 1 1 15 15 CYS N N 15 119.236 119.236 115.751 3.485 25433 2721 1 15 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.586 0.136 25433 2722 1 15 . 1 1 15 15 CYS CB C 15 32.353 32.353 28.395 3.958 25433 2723 1 15 . 1 1 15 15 CYS H H 15 9.014 9.014 7.872 1.142 25433 2724 1 15 . 1 1 16 16 GLY N N 16 110.235 110.235 110.415 -0.180 25433 2725 1 15 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.049 1.246 25433 2726 1 15 . 1 1 16 16 GLY H H 16 7.817 7.817 8.521 -0.704 25433 2727 1 15 . 1 1 17 17 VAL N N 17 121.337 121.337 114.463 6.874 25433 2728 1 15 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.415 -0.165 25433 2729 1 15 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.374 0.750 25433 2730 1 15 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.669 -0.277 25433 2731 1 15 . 1 1 17 17 VAL H H 17 8.220 8.220 7.174 1.046 25433 2732 1 15 . 1 1 18 18 GLN N N 18 121.310 121.310 124.800 -3.490 25433 2733 1 15 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.436 -0.083 25433 2734 1 15 . 1 1 18 18 GLN C C 18 174.823 174.823 175.272 -0.449 25433 2735 1 15 . 1 1 18 18 GLN CA C 18 55.308 55.308 55.374 -0.066 25433 2736 1 15 . 1 1 18 18 GLN CB C 18 29.505 29.505 28.762 0.744 25433 2737 1 15 . 1 1 18 18 GLN H H 18 8.218 8.218 8.607 -0.389 25433 2738 1 15 . 1 1 19 19 ASN N N 19 122.482 122.482 124.103 -1.621 25433 2739 1 15 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.641 -0.151 25433 2740 1 15 . 1 1 19 19 ASN C C 19 173.360 173.360 174.112 -0.752 25433 2741 1 15 . 1 1 19 19 ASN CA C 19 52.058 52.058 53.306 -1.248 25433 2742 1 15 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.157 4.215 25433 2743 1 15 . 1 1 19 19 ASN H H 19 9.041 9.041 7.546 1.495 25433 2744 1 15 . 1 1 20 20 PHE N N 20 117.484 117.484 119.452 -1.968 25433 2745 1 15 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.643 0.015 25433 2746 1 15 . 1 1 20 20 PHE C C 20 176.810 176.810 175.843 0.967 25433 2747 1 15 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.176 0.610 25433 2748 1 15 . 1 1 20 20 PHE CB C 20 40.003 40.003 39.195 0.808 25433 2749 1 15 . 1 1 20 20 PHE H H 20 7.846 7.846 8.493 -0.647 25433 2750 1 15 . 1 1 21 21 LYS N N 21 120.464 120.464 121.068 -0.604 25433 2751 1 15 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.792 0.336 25433 2752 1 15 . 1 1 21 21 LYS C C 21 176.254 176.254 178.022 -1.768 25433 2753 1 15 . 1 1 21 21 LYS CA C 21 58.878 58.878 59.660 -0.782 25433 2754 1 15 . 1 1 21 21 LYS CB C 21 32.334 32.334 31.345 0.989 25433 2755 1 15 . 1 1 21 21 LYS H H 21 8.516 8.516 8.256 0.260 25433 2756 1 15 . 1 1 22 22 ARG N N 22 112.820 112.820 118.024 -5.204 25433 2757 1 15 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.104 0.125 25433 2758 1 15 . 1 1 22 22 ARG C C 22 176.851 176.851 177.035 -0.184 25433 2759 1 15 . 1 1 22 22 ARG CA C 22 56.426 56.426 57.971 -1.545 25433 2760 1 15 . 1 1 22 22 ARG CB C 22 29.732 29.732 30.016 -0.284 25433 2761 1 15 . 1 1 22 22 ARG H H 22 7.125 7.125 7.986 -0.861 25433 2762 1 15 . 1 1 23 23 ARG N N 23 119.307 119.307 121.916 -2.609 25433 2763 1 15 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.399 -0.017 25433 2764 1 15 . 1 1 23 23 ARG C C 23 177.143 177.143 177.160 -0.017 25433 2765 1 15 . 1 1 23 23 ARG CA C 23 57.037 57.037 56.288 0.749 25433 2766 1 15 . 1 1 23 23 ARG CB C 23 30.944 30.944 29.701 1.243 25433 2767 1 15 . 1 1 23 23 ARG H H 23 8.349 8.349 8.343 0.006 25433 2768 1 15 . 1 1 24 24 GLU N N 24 120.195 120.195 123.822 -3.627 25433 2769 1 15 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.135 0.129 25433 2770 1 15 . 1 1 24 24 GLU C C 24 176.371 176.371 176.468 -0.097 25433 2771 1 15 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.494 -2.519 25433 2772 1 15 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.382 0.437 25433 2773 1 15 . 1 1 24 24 GLU H H 24 8.967 8.967 8.520 0.447 25433 2774 1 15 . 1 1 25 25 LYS N N 25 116.632 116.632 116.542 0.090 25433 2775 1 15 . 1 1 25 25 LYS HA H 25 4.906 4.906 4.905 0.001 25433 2776 1 15 . 1 1 25 25 LYS C C 25 174.820 174.820 176.674 -1.854 25433 2777 1 15 . 1 1 25 25 LYS CA C 25 54.064 54.064 55.055 -0.991 25433 2778 1 15 . 1 1 25 25 LYS CB C 25 35.743 35.743 34.486 1.257 25433 2779 1 15 . 1 1 25 25 LYS H H 25 7.862 7.862 7.804 0.058 25433 2780 1 15 . 1 1 26 26 CYS N N 26 124.535 124.535 119.324 5.211 25433 2781 1 15 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.783 -0.602 25433 2782 1 15 . 1 1 26 26 CYS C C 26 178.895 178.895 177.312 1.583 25433 2783 1 15 . 1 1 26 26 CYS CA C 26 59.174 59.174 61.215 -2.042 25433 2784 1 15 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.065 3.877 25433 2785 1 15 . 1 1 26 26 CYS H H 26 8.678 8.678 8.571 0.107 25433 2786 1 15 . 1 1 27 27 PHE N N 27 129.286 129.286 124.500 4.786 25433 2787 1 15 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.306 0.044 25433 2788 1 15 . 1 1 27 27 PHE C C 27 174.408 174.408 175.782 -1.374 25433 2789 1 15 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.399 -0.673 25433 2790 1 15 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.471 -0.047 25433 2791 1 15 . 1 1 27 27 PHE H H 27 9.344 9.344 9.245 0.099 25433 2792 1 15 . 1 1 28 28 LYS N N 28 124.525 124.525 114.606 9.919 25433 2793 1 15 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.169 -0.106 25433 2794 1 15 . 1 1 28 28 LYS C C 28 177.362 177.362 176.786 0.576 25433 2795 1 15 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.021 1.223 25433 2796 1 15 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.404 1.906 25433 2797 1 15 . 1 1 28 28 LYS H H 28 8.765 8.765 7.529 1.236 25433 2798 1 15 . 1 1 29 29 CYS N N 29 117.596 117.596 119.083 -1.487 25433 2799 1 15 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.564 0.233 25433 2800 1 15 . 1 1 29 29 CYS C C 29 177.501 177.501 175.655 1.846 25433 2801 1 15 . 1 1 29 29 CYS CA C 29 58.921 58.921 58.947 -0.026 25433 2802 1 15 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.695 5.393 25433 2803 1 15 . 1 1 29 29 CYS H H 29 8.357 8.357 8.279 0.078 25433 2804 1 15 . 1 1 30 30 GLY N N 30 110.623 110.623 108.824 1.799 25433 2805 1 15 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.847 0.287 25433 2806 1 15 . 1 1 30 30 GLY H H 30 7.519 7.519 7.762 -0.243 25433 2807 1 15 . 1 1 31 31 VAL N N 31 122.592 122.592 120.420 2.172 25433 2808 1 15 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.362 -0.014 25433 2809 1 15 . 1 1 31 31 VAL CA C 31 61.591 61.591 58.651 2.940 25433 2810 1 15 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.513 -1.275 25433 2811 1 15 . 1 1 31 31 VAL H H 31 8.120 8.120 7.830 0.290 25433 2812 1 15 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.488 0.162 25433 2813 1 15 . 1 1 32 32 PRO C C 32 176.413 176.413 177.051 -0.638 25433 2814 1 15 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.489 0.283 25433 2815 1 15 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.417 0.233 25433 2816 1 15 . 1 1 33 33 LYS N N 33 122.957 122.957 123.126 -0.169 25433 2817 1 15 . 1 1 33 33 LYS HA H 33 3.109 3.109 3.024 0.085 25433 2818 1 15 . 1 1 33 33 LYS C C 33 176.726 176.726 178.709 -1.983 25433 2819 1 15 . 1 1 33 33 LYS CA C 33 58.359 58.359 58.953 -0.594 25433 2820 1 15 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.544 1.156 25433 2821 1 15 . 1 1 33 33 LYS H H 33 7.956 7.956 8.463 -0.507 25433 2822 1 15 . 1 1 34 34 SER N N 34 112.323 112.323 114.365 -2.042 25433 2823 1 15 . 1 1 34 34 SER HA H 34 4.138 4.138 4.169 -0.031 25433 2824 1 15 . 1 1 34 34 SER C C 34 175.141 175.141 175.450 -0.309 25433 2825 1 15 . 1 1 34 34 SER CA C 34 59.160 59.160 61.128 -1.968 25433 2826 1 15 . 1 1 34 34 SER CB C 34 62.820 62.820 63.110 -0.290 25433 2827 1 15 . 1 1 34 34 SER H H 34 8.139 8.139 7.944 0.195 25433 2828 1 15 . 1 1 35 35 GLU N N 35 120.171 120.171 117.899 2.272 25433 2829 1 15 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.405 -0.154 25433 2830 1 15 . 1 1 35 35 GLU C C 35 176.796 176.796 175.266 1.530 25433 2831 1 15 . 1 1 35 35 GLU CA C 35 56.589 56.589 55.385 1.204 25433 2832 1 15 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.495 0.089 25433 2833 1 15 . 1 1 35 35 GLU H H 35 7.750 7.750 7.476 0.274 25433 2834 1 15 . 1 1 36 36 ALA N N 36 122.364 122.364 121.803 0.561 25433 2835 1 15 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.400 -0.128 25433 2836 1 15 . 1 1 36 36 ALA C C 36 177.942 177.942 176.331 1.611 25433 2837 1 15 . 1 1 36 36 ALA CA C 36 52.881 52.881 50.926 1.955 25433 2838 1 15 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.807 -0.220 25433 2839 1 15 . 1 1 36 36 ALA H H 36 8.216 8.216 7.208 1.008 25433 2840 1 15 . 1 1 37 37 GLU N N 37 117.040 117.040 116.750 0.290 25433 2841 1 15 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.140 0.213 25433 2842 1 15 . 1 1 37 37 GLU C C 37 176.592 176.592 175.725 0.867 25433 2843 1 15 . 1 1 37 37 GLU CA C 37 56.475 56.475 56.671 -0.196 25433 2844 1 15 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.182 -0.012 25433 2845 1 15 . 1 1 37 37 GLU H H 37 8.161 8.161 8.223 -0.062 25433 2846 1 15 . 1 1 38 38 GLN N N 38 120.895 120.895 120.307 0.588 25433 2847 1 15 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.256 -0.002 25433 2848 1 15 . 1 1 38 38 GLN C C 38 175.615 175.615 175.290 0.325 25433 2849 1 15 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.016 -0.327 25433 2850 1 15 . 1 1 38 38 GLN CB C 38 29.560 29.560 29.044 0.516 25433 2851 1 15 . 1 1 38 38 GLN H H 38 8.262 8.262 8.391 -0.129 25433 2852 1 15 . 1 1 39 39 LYS N N 39 122.996 122.996 127.541 -4.545 25433 2853 1 15 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.131 0.165 25433 2854 1 15 . 1 1 39 39 LYS C C 39 176.240 176.240 176.394 -0.154 25433 2855 1 15 . 1 1 39 39 LYS CA C 39 55.795 55.795 56.521 -0.726 25433 2856 1 15 . 1 1 39 39 LYS CB C 39 32.981 32.981 32.820 0.161 25433 2857 1 15 . 1 1 39 39 LYS H H 39 8.416 8.416 8.334 0.082 25433 2858 1 15 . 1 1 40 40 LEU N N 40 123.709 123.709 127.669 -3.960 25433 2859 1 15 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.361 0.214 25433 2860 1 15 . 1 1 40 40 LEU CA C 40 52.786 52.786 53.724 -0.938 25433 2861 1 15 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.393 0.075 25433 2862 1 15 . 1 1 40 40 LEU H H 40 8.292 8.292 8.361 -0.069 25433 2863 1 15 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.342 0.006 25433 2864 1 15 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.989 -2.427 25433 2865 1 15 . 1 1 41 41 PRO CB C 41 32.340 32.340 31.850 0.490 25433 2866 1 16 . 1 1 7 7 ASN N N 7 121.300 121.300 127.970 -6.670 25433 2867 1 16 . 1 1 7 7 ASN CB C 7 30.000 30.000 38.902 -8.902 25433 2868 1 16 . 1 1 7 7 ASN H H 7 8.535 8.535 8.776 -0.241 25433 2869 1 16 . 1 1 8 8 GLU N N 8 119.801 119.801 119.562 0.239 25433 2870 1 16 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.555 -0.115 25433 2871 1 16 . 1 1 8 8 GLU C C 8 175.693 175.693 175.069 0.624 25433 2872 1 16 . 1 1 8 8 GLU CA C 8 55.855 55.855 55.661 0.194 25433 2873 1 16 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.203 0.826 25433 2874 1 16 . 1 1 8 8 GLU H H 8 8.372 8.372 8.331 0.041 25433 2875 1 16 . 1 1 9 9 ASP N N 9 120.567 120.567 121.821 -1.254 25433 2876 1 16 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.524 0.203 25433 2877 1 16 . 1 1 9 9 ASP C C 9 175.618 175.618 176.417 -0.799 25433 2878 1 16 . 1 1 9 9 ASP CA C 9 54.857 54.857 55.749 -0.892 25433 2879 1 16 . 1 1 9 9 ASP CB C 9 41.330 41.330 40.201 1.129 25433 2880 1 16 . 1 1 9 9 ASP H H 9 8.158 8.158 8.072 0.086 25433 2881 1 16 . 1 1 10 10 TRP N N 10 116.757 116.757 122.347 -5.590 25433 2882 1 16 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.956 0.058 25433 2883 1 16 . 1 1 10 10 TRP C C 10 173.732 173.732 173.725 0.007 25433 2884 1 16 . 1 1 10 10 TRP CA C 10 54.037 54.037 54.692 -0.655 25433 2885 1 16 . 1 1 10 10 TRP CB C 10 31.370 31.370 31.134 0.236 25433 2886 1 16 . 1 1 10 10 TRP H H 10 8.476 8.476 8.792 -0.316 25433 2887 1 16 . 1 1 11 11 LEU N N 11 122.486 122.486 121.975 0.511 25433 2888 1 16 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.885 -0.366 25433 2889 1 16 . 1 1 11 11 LEU C C 11 176.547 176.547 176.214 0.333 25433 2890 1 16 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.178 0.139 25433 2891 1 16 . 1 1 11 11 LEU CB C 11 43.660 43.660 43.578 0.082 25433 2892 1 16 . 1 1 11 11 LEU H H 11 8.810 8.810 8.407 0.403 25433 2893 1 16 . 1 1 12 12 CYS N N 12 126.739 126.739 123.533 3.206 25433 2894 1 16 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.699 -0.112 25433 2895 1 16 . 1 1 12 12 CYS C C 12 177.636 177.636 175.907 1.729 25433 2896 1 16 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.208 0.298 25433 2897 1 16 . 1 1 12 12 CYS CB C 12 31.330 31.330 30.058 1.272 25433 2898 1 16 . 1 1 12 12 CYS H H 12 8.574 8.574 8.554 0.020 25433 2899 1 16 . 1 1 13 13 ASN N N 13 127.516 127.516 120.526 6.990 25433 2900 1 16 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.759 -0.225 25433 2901 1 16 . 1 1 13 13 ASN C C 13 175.471 175.471 175.808 -0.337 25433 2902 1 16 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.502 0.470 25433 2903 1 16 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.632 0.144 25433 2904 1 16 . 1 1 13 13 ASN H H 13 9.229 9.229 8.849 0.380 25433 2905 1 16 . 1 1 14 14 LYS N N 14 120.919 120.919 120.318 0.601 25433 2906 1 16 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.399 -0.040 25433 2907 1 16 . 1 1 14 14 LYS C C 14 178.199 178.199 178.150 0.049 25433 2908 1 16 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.296 -0.868 25433 2909 1 16 . 1 1 14 14 LYS CB C 14 32.706 32.706 33.051 -0.345 25433 2910 1 16 . 1 1 14 14 LYS H H 14 9.274 9.274 8.281 0.993 25433 2911 1 16 . 1 1 15 15 CYS N N 15 119.236 119.236 113.878 5.358 25433 2912 1 16 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.705 0.017 25433 2913 1 16 . 1 1 15 15 CYS CB C 15 32.353 32.353 28.014 4.339 25433 2914 1 16 . 1 1 15 15 CYS H H 15 9.014 9.014 8.274 0.740 25433 2915 1 16 . 1 1 16 16 GLY N N 16 110.235 110.235 110.590 -0.355 25433 2916 1 16 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.195 1.100 25433 2917 1 16 . 1 1 16 16 GLY H H 16 7.817 7.817 8.181 -0.364 25433 2918 1 16 . 1 1 17 17 VAL N N 17 121.337 121.337 116.032 5.305 25433 2919 1 16 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.301 -0.051 25433 2920 1 16 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.794 0.330 25433 2921 1 16 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.287 0.105 25433 2922 1 16 . 1 1 17 17 VAL H H 17 8.220 8.220 7.271 0.949 25433 2923 1 16 . 1 1 18 18 GLN N N 18 121.310 121.310 126.106 -4.796 25433 2924 1 16 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.659 -0.306 25433 2925 1 16 . 1 1 18 18 GLN C C 18 174.823 174.823 175.533 -0.710 25433 2926 1 16 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.701 0.607 25433 2927 1 16 . 1 1 18 18 GLN CB C 18 29.505 29.505 29.954 -0.449 25433 2928 1 16 . 1 1 18 18 GLN H H 18 8.218 8.218 8.530 -0.312 25433 2929 1 16 . 1 1 19 19 ASN N N 19 122.482 122.482 124.229 -1.747 25433 2930 1 16 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.864 -0.374 25433 2931 1 16 . 1 1 19 19 ASN C C 19 173.360 173.360 174.033 -0.673 25433 2932 1 16 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.828 0.230 25433 2933 1 16 . 1 1 19 19 ASN CB C 19 43.372 43.372 38.472 4.900 25433 2934 1 16 . 1 1 19 19 ASN H H 19 9.041 9.041 7.985 1.056 25433 2935 1 16 . 1 1 20 20 PHE N N 20 117.484 117.484 120.816 -3.332 25433 2936 1 16 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.606 0.052 25433 2937 1 16 . 1 1 20 20 PHE C C 20 176.810 176.810 175.510 1.300 25433 2938 1 16 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.106 0.680 25433 2939 1 16 . 1 1 20 20 PHE CB C 20 40.003 40.003 37.831 2.172 25433 2940 1 16 . 1 1 20 20 PHE H H 20 7.846 7.846 8.427 -0.581 25433 2941 1 16 . 1 1 21 21 LYS N N 21 120.464 120.464 119.141 1.323 25433 2942 1 16 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.670 0.458 25433 2943 1 16 . 1 1 21 21 LYS C C 21 176.254 176.254 177.725 -1.471 25433 2944 1 16 . 1 1 21 21 LYS CA C 21 58.878 58.878 59.042 -0.164 25433 2945 1 16 . 1 1 21 21 LYS CB C 21 32.334 32.334 29.921 2.413 25433 2946 1 16 . 1 1 21 21 LYS H H 21 8.516 8.516 7.661 0.855 25433 2947 1 16 . 1 1 22 22 ARG N N 22 112.820 112.820 120.870 -8.050 25433 2948 1 16 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.102 0.127 25433 2949 1 16 . 1 1 22 22 ARG C C 22 176.851 176.851 176.836 0.015 25433 2950 1 16 . 1 1 22 22 ARG CA C 22 56.426 56.426 56.788 -0.362 25433 2951 1 16 . 1 1 22 22 ARG CB C 22 29.732 29.732 30.171 -0.438 25433 2952 1 16 . 1 1 22 22 ARG H H 22 7.125 7.125 7.783 -0.658 25433 2953 1 16 . 1 1 23 23 ARG N N 23 119.307 119.307 120.777 -1.470 25433 2954 1 16 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.294 0.088 25433 2955 1 16 . 1 1 23 23 ARG C C 23 177.143 177.143 177.125 0.018 25433 2956 1 16 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.934 1.103 25433 2957 1 16 . 1 1 23 23 ARG CB C 23 30.944 30.944 28.745 2.199 25433 2958 1 16 . 1 1 23 23 ARG H H 23 8.349 8.349 7.626 0.723 25433 2959 1 16 . 1 1 24 24 GLU N N 24 120.195 120.195 122.295 -2.100 25433 2960 1 16 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.245 0.019 25433 2961 1 16 . 1 1 24 24 GLU C C 24 176.371 176.371 176.795 -0.424 25433 2962 1 16 . 1 1 24 24 GLU CA C 24 56.975 56.975 58.739 -1.764 25433 2963 1 16 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.194 0.625 25433 2964 1 16 . 1 1 24 24 GLU H H 24 8.967 8.967 8.719 0.248 25433 2965 1 16 . 1 1 25 25 LYS N N 25 116.632 116.632 117.259 -0.627 25433 2966 1 16 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.426 -0.520 25433 2967 1 16 . 1 1 25 25 LYS C C 25 174.820 174.820 176.328 -1.508 25433 2968 1 16 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.277 -0.213 25433 2969 1 16 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.401 -0.658 25433 2970 1 16 . 1 1 25 25 LYS H H 25 7.862 7.862 7.832 0.030 25433 2971 1 16 . 1 1 26 26 CYS N N 26 124.535 124.535 119.526 5.009 25433 2972 1 16 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.440 -0.259 25433 2973 1 16 . 1 1 26 26 CYS C C 26 178.895 178.895 176.316 2.579 25433 2974 1 16 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.833 -1.659 25433 2975 1 16 . 1 1 26 26 CYS CB C 26 30.942 30.942 28.139 2.803 25433 2976 1 16 . 1 1 26 26 CYS H H 26 8.678 8.678 8.678 -0.000 25433 2977 1 16 . 1 1 27 27 PHE N N 27 129.286 129.286 122.287 6.999 25433 2978 1 16 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.393 -0.043 25433 2979 1 16 . 1 1 27 27 PHE C C 27 174.408 174.408 175.565 -1.157 25433 2980 1 16 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.935 -0.209 25433 2981 1 16 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.261 0.162 25433 2982 1 16 . 1 1 27 27 PHE H H 27 9.344 9.344 8.859 0.485 25433 2983 1 16 . 1 1 28 28 LYS N N 28 124.525 124.525 115.396 9.129 25433 2984 1 16 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.280 -0.217 25433 2985 1 16 . 1 1 28 28 LYS C C 28 177.362 177.362 176.456 0.906 25433 2986 1 16 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.428 0.816 25433 2987 1 16 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.508 1.802 25433 2988 1 16 . 1 1 28 28 LYS H H 28 8.765 8.765 7.602 1.163 25433 2989 1 16 . 1 1 29 29 CYS N N 29 117.596 117.596 119.911 -2.315 25433 2990 1 16 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.688 0.109 25433 2991 1 16 . 1 1 29 29 CYS C C 29 177.501 177.501 175.413 2.088 25433 2992 1 16 . 1 1 29 29 CYS CA C 29 58.921 58.921 58.586 0.335 25433 2993 1 16 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.377 4.711 25433 2994 1 16 . 1 1 29 29 CYS H H 29 8.357 8.357 8.342 0.015 25433 2995 1 16 . 1 1 30 30 GLY N N 30 110.623 110.623 108.090 2.533 25433 2996 1 16 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.415 0.720 25433 2997 1 16 . 1 1 30 30 GLY H H 30 7.519 7.519 8.280 -0.761 25433 2998 1 16 . 1 1 31 31 VAL N N 31 122.592 122.592 120.042 2.550 25433 2999 1 16 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.184 0.164 25433 3000 1 16 . 1 1 31 31 VAL CA C 31 61.591 61.591 60.346 1.244 25433 3001 1 16 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.165 -0.927 25433 3002 1 16 . 1 1 31 31 VAL H H 31 8.120 8.120 7.953 0.167 25433 3003 1 16 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.525 0.125 25433 3004 1 16 . 1 1 32 32 PRO C C 32 176.413 176.413 176.902 -0.489 25433 3005 1 16 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.983 -0.211 25433 3006 1 16 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.093 0.557 25433 3007 1 16 . 1 1 33 33 LYS N N 33 122.957 122.957 125.819 -2.862 25433 3008 1 16 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.823 0.286 25433 3009 1 16 . 1 1 33 33 LYS C C 33 176.726 176.726 178.012 -1.286 25433 3010 1 16 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.573 -1.214 25433 3011 1 16 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.784 0.916 25433 3012 1 16 . 1 1 33 33 LYS H H 33 7.956 7.956 8.555 -0.599 25433 3013 1 16 . 1 1 34 34 SER N N 34 112.323 112.323 113.161 -0.838 25433 3014 1 16 . 1 1 34 34 SER HA H 34 4.138 4.138 4.174 -0.036 25433 3015 1 16 . 1 1 34 34 SER C C 34 175.141 175.141 175.603 -0.462 25433 3016 1 16 . 1 1 34 34 SER CA C 34 59.160 59.160 60.840 -1.681 25433 3017 1 16 . 1 1 34 34 SER CB C 34 62.820 62.820 62.897 -0.077 25433 3018 1 16 . 1 1 34 34 SER H H 34 8.139 8.139 8.412 -0.273 25433 3019 1 16 . 1 1 35 35 GLU N N 35 120.171 120.171 118.038 2.133 25433 3020 1 16 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.300 -0.049 25433 3021 1 16 . 1 1 35 35 GLU C C 35 176.796 176.796 176.391 0.405 25433 3022 1 16 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.810 -0.221 25433 3023 1 16 . 1 1 35 35 GLU CB C 35 30.584 30.584 31.016 -0.432 25433 3024 1 16 . 1 1 35 35 GLU H H 35 7.750 7.750 7.389 0.361 25433 3025 1 16 . 1 1 36 36 ALA N N 36 122.364 122.364 122.634 -0.270 25433 3026 1 16 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.131 0.141 25433 3027 1 16 . 1 1 36 36 ALA C C 36 177.942 177.942 177.895 0.047 25433 3028 1 16 . 1 1 36 36 ALA CA C 36 52.881 52.881 53.948 -1.067 25433 3029 1 16 . 1 1 36 36 ALA CB C 36 20.587 20.587 19.297 1.290 25433 3030 1 16 . 1 1 36 36 ALA H H 36 8.216 8.216 7.474 0.742 25433 3031 1 16 . 1 1 37 37 GLU N N 37 117.040 117.040 118.443 -1.403 25433 3032 1 16 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.396 -0.043 25433 3033 1 16 . 1 1 37 37 GLU C C 37 176.592 176.592 175.666 0.926 25433 3034 1 16 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.491 0.984 25433 3035 1 16 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.456 -0.285 25433 3036 1 16 . 1 1 37 37 GLU H H 37 8.161 8.161 7.587 0.574 25433 3037 1 16 . 1 1 38 38 GLN N N 38 120.895 120.895 117.827 3.068 25433 3038 1 16 . 1 1 38 38 GLN HA H 38 4.254 4.254 3.923 0.331 25433 3039 1 16 . 1 1 38 38 GLN C C 38 175.615 175.615 174.322 1.293 25433 3040 1 16 . 1 1 38 38 GLN CA C 38 55.689 55.689 57.044 -1.355 25433 3041 1 16 . 1 1 38 38 GLN CB C 38 29.560 29.560 28.509 1.051 25433 3042 1 16 . 1 1 38 38 GLN H H 38 8.262 8.262 8.192 0.070 25433 3043 1 16 . 1 1 39 39 LYS N N 39 122.996 122.996 119.975 3.021 25433 3044 1 16 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.509 -0.213 25433 3045 1 16 . 1 1 39 39 LYS C C 39 176.240 176.240 175.639 0.601 25433 3046 1 16 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.445 0.350 25433 3047 1 16 . 1 1 39 39 LYS CB C 39 32.981 32.981 33.290 -0.309 25433 3048 1 16 . 1 1 39 39 LYS H H 39 8.416 8.416 8.327 0.089 25433 3049 1 16 . 1 1 40 40 LEU N N 40 123.709 123.709 125.075 -1.366 25433 3050 1 16 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.512 0.063 25433 3051 1 16 . 1 1 40 40 LEU CA C 40 52.786 52.786 52.898 -0.112 25433 3052 1 16 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.593 -0.124 25433 3053 1 16 . 1 1 40 40 LEU H H 40 8.292 8.292 8.325 -0.033 25433 3054 1 16 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.331 0.017 25433 3055 1 16 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.849 -2.287 25433 3056 1 16 . 1 1 41 41 PRO CB C 41 32.340 32.340 31.232 1.108 25433 3057 1 17 . 1 1 7 7 ASN N N 7 121.300 121.300 123.662 -2.362 25433 3058 1 17 . 1 1 7 7 ASN CB C 7 30.000 30.000 40.408 -10.408 25433 3059 1 17 . 1 1 7 7 ASN H H 7 8.535 8.535 8.146 0.389 25433 3060 1 17 . 1 1 8 8 GLU N N 8 119.801 119.801 119.874 -0.073 25433 3061 1 17 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.092 0.348 25433 3062 1 17 . 1 1 8 8 GLU C C 8 175.693 175.693 175.971 -0.278 25433 3063 1 17 . 1 1 8 8 GLU CA C 8 55.855 55.855 57.866 -2.011 25433 3064 1 17 . 1 1 8 8 GLU CB C 8 31.029 31.029 29.805 1.224 25433 3065 1 17 . 1 1 8 8 GLU H H 8 8.372 8.372 8.629 -0.257 25433 3066 1 17 . 1 1 9 9 ASP N N 9 120.567 120.567 118.682 1.885 25433 3067 1 17 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.389 0.338 25433 3068 1 17 . 1 1 9 9 ASP C C 9 175.618 175.618 176.162 -0.544 25433 3069 1 17 . 1 1 9 9 ASP CA C 9 54.857 54.857 55.189 -0.332 25433 3070 1 17 . 1 1 9 9 ASP CB C 9 41.330 41.330 40.576 0.754 25433 3071 1 17 . 1 1 9 9 ASP H H 9 8.158 8.158 7.908 0.250 25433 3072 1 17 . 1 1 10 10 TRP N N 10 116.757 116.757 121.382 -4.625 25433 3073 1 17 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.846 0.168 25433 3074 1 17 . 1 1 10 10 TRP C C 10 173.732 173.732 174.478 -0.746 25433 3075 1 17 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.221 -1.184 25433 3076 1 17 . 1 1 10 10 TRP CB C 10 31.370 31.370 29.875 1.495 25433 3077 1 17 . 1 1 10 10 TRP H H 10 8.476 8.476 7.889 0.587 25433 3078 1 17 . 1 1 11 11 LEU N N 11 122.486 122.486 125.982 -3.496 25433 3079 1 17 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.939 -0.420 25433 3080 1 17 . 1 1 11 11 LEU C C 11 176.547 176.547 176.633 -0.086 25433 3081 1 17 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.344 -0.027 25433 3082 1 17 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.688 0.972 25433 3083 1 17 . 1 1 11 11 LEU H H 11 8.810 8.810 8.420 0.390 25433 3084 1 17 . 1 1 12 12 CYS N N 12 126.739 126.739 123.460 3.279 25433 3085 1 17 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.498 0.089 25433 3086 1 17 . 1 1 12 12 CYS C C 12 177.636 177.636 175.697 1.939 25433 3087 1 17 . 1 1 12 12 CYS CA C 12 59.506 59.506 60.248 -0.742 25433 3088 1 17 . 1 1 12 12 CYS CB C 12 31.330 31.330 28.617 2.713 25433 3089 1 17 . 1 1 12 12 CYS H H 12 8.574 8.574 8.578 -0.004 25433 3090 1 17 . 1 1 13 13 ASN N N 13 127.516 127.516 121.670 5.846 25433 3091 1 17 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.825 -0.291 25433 3092 1 17 . 1 1 13 13 ASN C C 13 175.471 175.471 175.435 0.036 25433 3093 1 17 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.773 0.199 25433 3094 1 17 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.472 0.304 25433 3095 1 17 . 1 1 13 13 ASN H H 13 9.229 9.229 8.883 0.346 25433 3096 1 17 . 1 1 14 14 LYS N N 14 120.919 120.919 120.205 0.714 25433 3097 1 17 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.400 -0.041 25433 3098 1 17 . 1 1 14 14 LYS C C 14 178.199 178.199 177.596 0.603 25433 3099 1 17 . 1 1 14 14 LYS CA C 14 57.428 57.428 57.705 -0.277 25433 3100 1 17 . 1 1 14 14 LYS CB C 14 32.706 32.706 33.002 -0.296 25433 3101 1 17 . 1 1 14 14 LYS H H 14 9.274 9.274 8.531 0.743 25433 3102 1 17 . 1 1 15 15 CYS N N 15 119.236 119.236 116.579 2.657 25433 3103 1 17 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.550 0.172 25433 3104 1 17 . 1 1 15 15 CYS CB C 15 32.353 32.353 28.361 3.992 25433 3105 1 17 . 1 1 15 15 CYS H H 15 9.014 9.014 8.462 0.552 25433 3106 1 17 . 1 1 16 16 GLY N N 16 110.235 110.235 109.004 1.231 25433 3107 1 17 . 1 1 16 16 GLY CA C 16 46.295 46.295 44.504 1.791 25433 3108 1 17 . 1 1 16 16 GLY H H 16 7.817 7.817 8.157 -0.340 25433 3109 1 17 . 1 1 17 17 VAL N N 17 121.337 121.337 115.675 5.662 25433 3110 1 17 . 1 1 17 17 VAL HA H 17 4.250 4.250 3.804 0.446 25433 3111 1 17 . 1 1 17 17 VAL CA C 17 61.124 61.124 59.320 1.804 25433 3112 1 17 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.517 -0.125 25433 3113 1 17 . 1 1 17 17 VAL H H 17 8.220 8.220 7.227 0.993 25433 3114 1 17 . 1 1 18 18 GLN N N 18 121.310 121.310 120.796 0.514 25433 3115 1 17 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.504 -0.151 25433 3116 1 17 . 1 1 18 18 GLN C C 18 174.823 174.823 174.316 0.507 25433 3117 1 17 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.548 0.760 25433 3118 1 17 . 1 1 18 18 GLN CB C 18 29.505 29.505 30.609 -1.104 25433 3119 1 17 . 1 1 18 18 GLN H H 18 8.218 8.218 8.330 -0.112 25433 3120 1 17 . 1 1 19 19 ASN N N 19 122.482 122.482 122.972 -0.490 25433 3121 1 17 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.747 -0.257 25433 3122 1 17 . 1 1 19 19 ASN C C 19 173.360 173.360 173.601 -0.241 25433 3123 1 17 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.679 0.379 25433 3124 1 17 . 1 1 19 19 ASN CB C 19 43.372 43.372 41.578 1.794 25433 3125 1 17 . 1 1 19 19 ASN H H 19 9.041 9.041 8.210 0.831 25433 3126 1 17 . 1 1 20 20 PHE N N 20 117.484 117.484 120.540 -3.056 25433 3127 1 17 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.370 0.288 25433 3128 1 17 . 1 1 20 20 PHE C C 20 176.810 176.810 176.826 -0.016 25433 3129 1 17 . 1 1 20 20 PHE CA C 20 56.786 56.786 59.380 -2.594 25433 3130 1 17 . 1 1 20 20 PHE CB C 20 40.003 40.003 40.300 -0.298 25433 3131 1 17 . 1 1 20 20 PHE H H 20 7.846 7.846 8.564 -0.718 25433 3132 1 17 . 1 1 21 21 LYS N N 21 120.464 120.464 124.266 -3.802 25433 3133 1 17 . 1 1 21 21 LYS HA H 21 4.128 4.128 4.172 -0.044 25433 3134 1 17 . 1 1 21 21 LYS C C 21 176.254 176.254 177.906 -1.652 25433 3135 1 17 . 1 1 21 21 LYS CA C 21 58.878 58.878 58.584 0.294 25433 3136 1 17 . 1 1 21 21 LYS CB C 21 32.334 32.334 32.317 0.017 25433 3137 1 17 . 1 1 21 21 LYS H H 21 8.516 8.516 7.570 0.946 25433 3138 1 17 . 1 1 22 22 ARG N N 22 112.820 112.820 116.037 -3.217 25433 3139 1 17 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.400 -0.171 25433 3140 1 17 . 1 1 22 22 ARG C C 22 176.851 176.851 176.666 0.185 25433 3141 1 17 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.462 0.964 25433 3142 1 17 . 1 1 22 22 ARG CB C 22 29.732 29.732 29.187 0.545 25433 3143 1 17 . 1 1 22 22 ARG H H 22 7.125 7.125 8.359 -1.234 25433 3144 1 17 . 1 1 23 23 ARG N N 23 119.307 119.307 121.203 -1.896 25433 3145 1 17 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.583 -0.201 25433 3146 1 17 . 1 1 23 23 ARG C C 23 177.143 177.143 177.010 0.133 25433 3147 1 17 . 1 1 23 23 ARG CA C 23 57.037 57.037 56.280 0.757 25433 3148 1 17 . 1 1 23 23 ARG CB C 23 30.944 30.944 30.995 -0.051 25433 3149 1 17 . 1 1 23 23 ARG H H 23 8.349 8.349 7.935 0.414 25433 3150 1 17 . 1 1 24 24 GLU N N 24 120.195 120.195 122.406 -2.211 25433 3151 1 17 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.158 0.106 25433 3152 1 17 . 1 1 24 24 GLU C C 24 176.371 176.371 177.040 -0.669 25433 3153 1 17 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.347 -2.372 25433 3154 1 17 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.036 0.783 25433 3155 1 17 . 1 1 24 24 GLU H H 24 8.967 8.967 9.040 -0.073 25433 3156 1 17 . 1 1 25 25 LYS N N 25 116.632 116.632 116.757 -0.125 25433 3157 1 17 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.083 -0.177 25433 3158 1 17 . 1 1 25 25 LYS C C 25 174.820 174.820 176.131 -1.311 25433 3159 1 17 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.119 -0.055 25433 3160 1 17 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.130 -0.388 25433 3161 1 17 . 1 1 25 25 LYS H H 25 7.862 7.862 7.868 -0.006 25433 3162 1 17 . 1 1 26 26 CYS N N 26 124.535 124.535 120.703 3.832 25433 3163 1 17 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.817 -0.636 25433 3164 1 17 . 1 1 26 26 CYS C C 26 178.895 178.895 177.369 1.526 25433 3165 1 17 . 1 1 26 26 CYS CA C 26 59.174 59.174 59.033 0.141 25433 3166 1 17 . 1 1 26 26 CYS CB C 26 30.942 30.942 28.667 2.275 25433 3167 1 17 . 1 1 26 26 CYS H H 26 8.678 8.678 8.568 0.110 25433 3168 1 17 . 1 1 27 27 PHE N N 27 129.286 129.286 125.344 3.942 25433 3169 1 17 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.388 -0.038 25433 3170 1 17 . 1 1 27 27 PHE C C 27 174.408 174.408 175.785 -1.377 25433 3171 1 17 . 1 1 27 27 PHE CA C 27 59.726 59.726 60.243 -0.517 25433 3172 1 17 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.407 0.017 25433 3173 1 17 . 1 1 27 27 PHE H H 27 9.344 9.344 9.169 0.175 25433 3174 1 17 . 1 1 28 28 LYS N N 28 124.525 124.525 116.522 8.003 25433 3175 1 17 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.172 -0.109 25433 3176 1 17 . 1 1 28 28 LYS C C 28 177.362 177.362 177.821 -0.459 25433 3177 1 17 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.283 0.961 25433 3178 1 17 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.690 1.620 25433 3179 1 17 . 1 1 28 28 LYS H H 28 8.765 8.765 7.173 1.592 25433 3180 1 17 . 1 1 29 29 CYS N N 29 117.596 117.596 119.245 -1.649 25433 3181 1 17 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.427 0.370 25433 3182 1 17 . 1 1 29 29 CYS C C 29 177.501 177.501 175.417 2.084 25433 3183 1 17 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.472 -0.551 25433 3184 1 17 . 1 1 29 29 CYS CB C 29 32.088 32.088 26.812 5.276 25433 3185 1 17 . 1 1 29 29 CYS H H 29 8.357 8.357 7.673 0.684 25433 3186 1 17 . 1 1 30 30 GLY N N 30 110.623 110.623 108.239 2.384 25433 3187 1 17 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.455 0.680 25433 3188 1 17 . 1 1 30 30 GLY H H 30 7.519 7.519 8.237 -0.718 25433 3189 1 17 . 1 1 31 31 VAL N N 31 122.592 122.592 121.307 1.285 25433 3190 1 17 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.221 0.127 25433 3191 1 17 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.831 1.760 25433 3192 1 17 . 1 1 31 31 VAL CB C 31 32.238 32.238 32.863 -0.625 25433 3193 1 17 . 1 1 31 31 VAL H H 31 8.120 8.120 7.814 0.306 25433 3194 1 17 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.427 0.223 25433 3195 1 17 . 1 1 32 32 PRO C C 32 176.413 176.413 177.426 -1.013 25433 3196 1 17 . 1 1 32 32 PRO CA C 32 62.772 62.772 63.123 -0.351 25433 3197 1 17 . 1 1 32 32 PRO CB C 32 32.650 32.650 31.996 0.654 25433 3198 1 17 . 1 1 33 33 LYS N N 33 122.957 122.957 126.986 -4.029 25433 3199 1 17 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.453 0.656 25433 3200 1 17 . 1 1 33 33 LYS C C 33 176.726 176.726 177.567 -0.841 25433 3201 1 17 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.509 -1.150 25433 3202 1 17 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.684 1.016 25433 3203 1 17 . 1 1 33 33 LYS H H 33 7.956 7.956 8.255 -0.299 25433 3204 1 17 . 1 1 34 34 SER N N 34 112.323 112.323 112.382 -0.059 25433 3205 1 17 . 1 1 34 34 SER HA H 34 4.138 4.138 4.048 0.090 25433 3206 1 17 . 1 1 34 34 SER C C 34 175.141 175.141 176.319 -1.178 25433 3207 1 17 . 1 1 34 34 SER CA C 34 59.160 59.160 61.077 -1.917 25433 3208 1 17 . 1 1 34 34 SER CB C 34 62.820 62.820 62.608 0.212 25433 3209 1 17 . 1 1 34 34 SER H H 34 8.139 8.139 8.307 -0.168 25433 3210 1 17 . 1 1 35 35 GLU N N 35 120.171 120.171 119.834 0.337 25433 3211 1 17 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.103 0.148 25433 3212 1 17 . 1 1 35 35 GLU C C 35 176.796 176.796 177.081 -0.285 25433 3213 1 17 . 1 1 35 35 GLU CA C 35 56.589 56.589 57.820 -1.231 25433 3214 1 17 . 1 1 35 35 GLU CB C 35 30.584 30.584 29.595 0.989 25433 3215 1 17 . 1 1 35 35 GLU H H 35 7.750 7.750 7.789 -0.039 25433 3216 1 17 . 1 1 36 36 ALA N N 36 122.364 122.364 122.317 0.047 25433 3217 1 17 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.341 -0.069 25433 3218 1 17 . 1 1 36 36 ALA C C 36 177.942 177.942 177.691 0.251 25433 3219 1 17 . 1 1 36 36 ALA CA C 36 52.881 52.881 53.406 -0.525 25433 3220 1 17 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.137 0.451 25433 3221 1 17 . 1 1 36 36 ALA H H 36 8.216 8.216 7.103 1.113 25433 3222 1 17 . 1 1 37 37 GLU N N 37 117.040 117.040 119.956 -2.916 25433 3223 1 17 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.306 0.047 25433 3224 1 17 . 1 1 37 37 GLU C C 37 176.592 176.592 175.834 0.758 25433 3225 1 17 . 1 1 37 37 GLU CA C 37 56.475 56.475 54.919 1.556 25433 3226 1 17 . 1 1 37 37 GLU CB C 37 30.170 30.170 28.156 2.014 25433 3227 1 17 . 1 1 37 37 GLU H H 37 8.161 8.161 7.937 0.224 25433 3228 1 17 . 1 1 38 38 GLN N N 38 120.895 120.895 124.943 -4.048 25433 3229 1 17 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.436 -0.182 25433 3230 1 17 . 1 1 38 38 GLN C C 38 175.615 175.615 175.822 -0.207 25433 3231 1 17 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.084 -0.395 25433 3232 1 17 . 1 1 38 38 GLN CB C 38 29.560 29.560 28.343 1.218 25433 3233 1 17 . 1 1 38 38 GLN H H 38 8.262 8.262 8.268 -0.006 25433 3234 1 17 . 1 1 39 39 LYS N N 39 122.996 122.996 123.087 -0.091 25433 3235 1 17 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.521 -0.225 25433 3236 1 17 . 1 1 39 39 LYS C C 39 176.240 176.240 176.244 -0.004 25433 3237 1 17 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.160 0.635 25433 3238 1 17 . 1 1 39 39 LYS CB C 39 32.981 32.981 34.382 -1.401 25433 3239 1 17 . 1 1 39 39 LYS H H 39 8.416 8.416 8.042 0.374 25433 3240 1 17 . 1 1 40 40 LEU N N 40 123.709 123.709 120.605 3.104 25433 3241 1 17 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.677 -0.102 25433 3242 1 17 . 1 1 40 40 LEU CA C 40 52.786 52.786 53.368 -0.582 25433 3243 1 17 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.179 0.289 25433 3244 1 17 . 1 1 40 40 LEU H H 40 8.292 8.292 8.423 -0.131 25433 3245 1 17 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.485 -0.137 25433 3246 1 17 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.155 -1.593 25433 3247 1 17 . 1 1 41 41 PRO CB C 41 32.340 32.340 30.402 1.938 25433 3248 1 18 . 1 1 7 7 ASN N N 7 121.300 121.300 124.881 -3.581 25433 3249 1 18 . 1 1 7 7 ASN CB C 7 30.000 30.000 38.806 -8.806 25433 3250 1 18 . 1 1 7 7 ASN H H 7 8.535 8.535 8.573 -0.038 25433 3251 1 18 . 1 1 8 8 GLU N N 8 119.801 119.801 121.087 -1.286 25433 3252 1 18 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.395 0.045 25433 3253 1 18 . 1 1 8 8 GLU C C 8 175.693 175.693 175.221 0.472 25433 3254 1 18 . 1 1 8 8 GLU CA C 8 55.855 55.855 55.924 -0.069 25433 3255 1 18 . 1 1 8 8 GLU CB C 8 31.029 31.029 29.486 1.543 25433 3256 1 18 . 1 1 8 8 GLU H H 8 8.372 8.372 8.631 -0.259 25433 3257 1 18 . 1 1 9 9 ASP N N 9 120.567 120.567 118.101 2.466 25433 3258 1 18 . 1 1 9 9 ASP HA H 9 4.727 4.727 5.340 -0.613 25433 3259 1 18 . 1 1 9 9 ASP C C 9 175.618 175.618 174.820 0.798 25433 3260 1 18 . 1 1 9 9 ASP CA C 9 54.857 54.857 53.842 1.015 25433 3261 1 18 . 1 1 9 9 ASP CB C 9 41.330 41.330 45.090 -3.760 25433 3262 1 18 . 1 1 9 9 ASP H H 9 8.158 8.158 7.811 0.347 25433 3263 1 18 . 1 1 10 10 TRP N N 10 116.757 116.757 117.833 -1.076 25433 3264 1 18 . 1 1 10 10 TRP HA H 10 5.014 5.014 5.069 -0.055 25433 3265 1 18 . 1 1 10 10 TRP C C 10 173.732 173.732 173.663 0.069 25433 3266 1 18 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.697 -1.660 25433 3267 1 18 . 1 1 10 10 TRP CB C 10 31.370 31.370 31.301 0.069 25433 3268 1 18 . 1 1 10 10 TRP H H 10 8.476 8.476 8.673 -0.197 25433 3269 1 18 . 1 1 11 11 LEU N N 11 122.486 122.486 123.064 -0.578 25433 3270 1 18 . 1 1 11 11 LEU HA H 11 4.519 4.519 5.100 -0.581 25433 3271 1 18 . 1 1 11 11 LEU C C 11 176.547 176.547 177.856 -1.309 25433 3272 1 18 . 1 1 11 11 LEU CA C 11 53.317 53.317 52.915 0.402 25433 3273 1 18 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.455 1.205 25433 3274 1 18 . 1 1 11 11 LEU H H 11 8.810 8.810 8.485 0.325 25433 3275 1 18 . 1 1 12 12 CYS N N 12 126.739 126.739 124.984 1.755 25433 3276 1 18 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.645 -0.058 25433 3277 1 18 . 1 1 12 12 CYS C C 12 177.636 177.636 175.878 1.758 25433 3278 1 18 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.790 -0.284 25433 3279 1 18 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.194 2.136 25433 3280 1 18 . 1 1 12 12 CYS H H 12 8.574 8.574 8.426 0.148 25433 3281 1 18 . 1 1 13 13 ASN N N 13 127.516 127.516 123.656 3.860 25433 3282 1 18 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.704 -0.170 25433 3283 1 18 . 1 1 13 13 ASN C C 13 175.471 175.471 175.940 -0.469 25433 3284 1 18 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.788 0.184 25433 3285 1 18 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.493 0.283 25433 3286 1 18 . 1 1 13 13 ASN H H 13 9.229 9.229 9.043 0.186 25433 3287 1 18 . 1 1 14 14 LYS N N 14 120.919 120.919 119.886 1.033 25433 3288 1 18 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.397 -0.038 25433 3289 1 18 . 1 1 14 14 LYS C C 14 178.199 178.199 178.244 -0.045 25433 3290 1 18 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.207 -0.779 25433 3291 1 18 . 1 1 14 14 LYS CB C 14 32.706 32.706 33.147 -0.441 25433 3292 1 18 . 1 1 14 14 LYS H H 14 9.274 9.274 8.097 1.177 25433 3293 1 18 . 1 1 15 15 CYS N N 15 119.236 119.236 114.181 5.055 25433 3294 1 18 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.464 0.258 25433 3295 1 18 . 1 1 15 15 CYS CB C 15 32.353 32.353 26.710 5.643 25433 3296 1 18 . 1 1 15 15 CYS H H 15 9.014 9.014 7.996 1.018 25433 3297 1 18 . 1 1 16 16 GLY N N 16 110.235 110.235 111.356 -1.121 25433 3298 1 18 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.234 1.061 25433 3299 1 18 . 1 1 16 16 GLY H H 16 7.817 7.817 8.166 -0.349 25433 3300 1 18 . 1 1 17 17 VAL N N 17 121.337 121.337 116.491 4.846 25433 3301 1 18 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.282 -0.032 25433 3302 1 18 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.442 0.682 25433 3303 1 18 . 1 1 17 17 VAL CB C 17 33.392 33.392 32.958 0.434 25433 3304 1 18 . 1 1 17 17 VAL H H 17 8.220 8.220 7.364 0.856 25433 3305 1 18 . 1 1 18 18 GLN N N 18 121.310 121.310 121.276 0.034 25433 3306 1 18 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.251 0.102 25433 3307 1 18 . 1 1 18 18 GLN C C 18 174.823 174.823 175.267 -0.444 25433 3308 1 18 . 1 1 18 18 GLN CA C 18 55.308 55.308 55.402 -0.094 25433 3309 1 18 . 1 1 18 18 GLN CB C 18 29.505 29.505 28.183 1.322 25433 3310 1 18 . 1 1 18 18 GLN H H 18 8.218 8.218 8.509 -0.291 25433 3311 1 18 . 1 1 19 19 ASN N N 19 122.482 122.482 125.041 -2.559 25433 3312 1 18 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.988 -0.498 25433 3313 1 18 . 1 1 19 19 ASN C C 19 173.360 173.360 173.910 -0.550 25433 3314 1 18 . 1 1 19 19 ASN CA C 19 52.058 52.058 52.283 -0.225 25433 3315 1 18 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.445 3.927 25433 3316 1 18 . 1 1 19 19 ASN H H 19 9.041 9.041 8.323 0.718 25433 3317 1 18 . 1 1 20 20 PHE N N 20 117.484 117.484 121.795 -4.311 25433 3318 1 18 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.919 -0.261 25433 3319 1 18 . 1 1 20 20 PHE C C 20 176.810 176.810 176.776 0.034 25433 3320 1 18 . 1 1 20 20 PHE CA C 20 56.786 56.786 55.947 0.839 25433 3321 1 18 . 1 1 20 20 PHE CB C 20 40.003 40.003 40.305 -0.302 25433 3322 1 18 . 1 1 20 20 PHE H H 20 7.846 7.846 8.796 -0.950 25433 3323 1 18 . 1 1 21 21 LYS N N 21 120.464 120.464 126.388 -5.924 25433 3324 1 18 . 1 1 21 21 LYS HA H 21 4.128 4.128 4.677 -0.549 25433 3325 1 18 . 1 1 21 21 LYS C C 21 176.254 176.254 176.804 -0.550 25433 3326 1 18 . 1 1 21 21 LYS CA C 21 58.878 58.878 57.528 1.350 25433 3327 1 18 . 1 1 21 21 LYS CB C 21 32.334 32.334 32.503 -0.169 25433 3328 1 18 . 1 1 21 21 LYS H H 21 8.516 8.516 8.515 0.001 25433 3329 1 18 . 1 1 22 22 ARG N N 22 112.820 112.820 115.466 -2.646 25433 3330 1 18 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.209 0.020 25433 3331 1 18 . 1 1 22 22 ARG C C 22 176.851 176.851 176.854 -0.003 25433 3332 1 18 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.020 1.406 25433 3333 1 18 . 1 1 22 22 ARG CB C 22 29.732 29.732 29.069 0.663 25433 3334 1 18 . 1 1 22 22 ARG H H 22 7.125 7.125 7.735 -0.610 25433 3335 1 18 . 1 1 23 23 ARG N N 23 119.307 119.307 121.722 -2.415 25433 3336 1 18 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.416 -0.034 25433 3337 1 18 . 1 1 23 23 ARG C C 23 177.143 177.143 176.733 0.410 25433 3338 1 18 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.874 1.163 25433 3339 1 18 . 1 1 23 23 ARG CB C 23 30.944 30.944 30.323 0.621 25433 3340 1 18 . 1 1 23 23 ARG H H 23 8.349 8.349 7.736 0.613 25433 3341 1 18 . 1 1 24 24 GLU N N 24 120.195 120.195 122.157 -1.962 25433 3342 1 18 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.085 0.179 25433 3343 1 18 . 1 1 24 24 GLU C C 24 176.371 176.371 177.062 -0.691 25433 3344 1 18 . 1 1 24 24 GLU CA C 24 56.975 56.975 58.560 -1.585 25433 3345 1 18 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.044 0.775 25433 3346 1 18 . 1 1 24 24 GLU H H 24 8.967 8.967 8.836 0.131 25433 3347 1 18 . 1 1 25 25 LYS N N 25 116.632 116.632 117.190 -0.558 25433 3348 1 18 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.061 -0.155 25433 3349 1 18 . 1 1 25 25 LYS C C 25 174.820 174.820 176.370 -1.550 25433 3350 1 18 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.382 -0.318 25433 3351 1 18 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.502 -0.759 25433 3352 1 18 . 1 1 25 25 LYS H H 25 7.862 7.862 7.811 0.050 25433 3353 1 18 . 1 1 26 26 CYS N N 26 124.535 124.535 119.489 5.046 25433 3354 1 18 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.445 -0.264 25433 3355 1 18 . 1 1 26 26 CYS C C 26 178.895 178.895 176.195 2.700 25433 3356 1 18 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.998 -1.824 25433 3357 1 18 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.909 3.033 25433 3358 1 18 . 1 1 26 26 CYS H H 26 8.678 8.678 8.596 0.082 25433 3359 1 18 . 1 1 27 27 PHE N N 27 129.286 129.286 122.605 6.681 25433 3360 1 18 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.353 -0.003 25433 3361 1 18 . 1 1 27 27 PHE C C 27 174.408 174.408 175.522 -1.114 25433 3362 1 18 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.846 -0.120 25433 3363 1 18 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.157 0.267 25433 3364 1 18 . 1 1 27 27 PHE H H 27 9.344 9.344 8.834 0.510 25433 3365 1 18 . 1 1 28 28 LYS N N 28 124.525 124.525 115.027 9.498 25433 3366 1 18 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.289 -0.226 25433 3367 1 18 . 1 1 28 28 LYS C C 28 177.362 177.362 176.354 1.008 25433 3368 1 18 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.456 0.788 25433 3369 1 18 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.568 1.742 25433 3370 1 18 . 1 1 28 28 LYS H H 28 8.765 8.765 7.590 1.175 25433 3371 1 18 . 1 1 29 29 CYS N N 29 117.596 117.596 120.408 -2.812 25433 3372 1 18 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.824 -0.027 25433 3373 1 18 . 1 1 29 29 CYS C C 29 177.501 177.501 175.414 2.087 25433 3374 1 18 . 1 1 29 29 CYS CA C 29 58.921 58.921 58.317 0.604 25433 3375 1 18 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.442 4.646 25433 3376 1 18 . 1 1 29 29 CYS H H 29 8.357 8.357 8.315 0.042 25433 3377 1 18 . 1 1 30 30 GLY N N 30 110.623 110.623 109.031 1.592 25433 3378 1 18 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.577 0.558 25433 3379 1 18 . 1 1 30 30 GLY H H 30 7.519 7.519 7.698 -0.179 25433 3380 1 18 . 1 1 31 31 VAL N N 31 122.592 122.592 119.489 3.103 25433 3381 1 18 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.420 -0.072 25433 3382 1 18 . 1 1 31 31 VAL CA C 31 61.591 61.591 58.778 2.813 25433 3383 1 18 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.822 -1.584 25433 3384 1 18 . 1 1 31 31 VAL H H 31 8.120 8.120 7.860 0.260 25433 3385 1 18 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.478 0.172 25433 3386 1 18 . 1 1 32 32 PRO C C 32 176.413 176.413 177.656 -1.243 25433 3387 1 18 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.914 -0.142 25433 3388 1 18 . 1 1 32 32 PRO CB C 32 32.650 32.650 31.839 0.811 25433 3389 1 18 . 1 1 33 33 LYS N N 33 122.957 122.957 126.589 -3.632 25433 3390 1 18 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.385 0.724 25433 3391 1 18 . 1 1 33 33 LYS C C 33 176.726 176.726 177.576 -0.850 25433 3392 1 18 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.277 -0.918 25433 3393 1 18 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.343 1.357 25433 3394 1 18 . 1 1 33 33 LYS H H 33 7.956 7.956 8.326 -0.370 25433 3395 1 18 . 1 1 34 34 SER N N 34 112.323 112.323 113.931 -1.608 25433 3396 1 18 . 1 1 34 34 SER HA H 34 4.138 4.138 4.127 0.011 25433 3397 1 18 . 1 1 34 34 SER C C 34 175.141 175.141 175.803 -0.662 25433 3398 1 18 . 1 1 34 34 SER CA C 34 59.160 59.160 61.539 -2.379 25433 3399 1 18 . 1 1 34 34 SER CB C 34 62.820 62.820 62.657 0.163 25433 3400 1 18 . 1 1 34 34 SER H H 34 8.139 8.139 8.266 -0.127 25433 3401 1 18 . 1 1 35 35 GLU N N 35 120.171 120.171 119.270 0.901 25433 3402 1 18 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.310 -0.059 25433 3403 1 18 . 1 1 35 35 GLU C C 35 176.796 176.796 177.073 -0.277 25433 3404 1 18 . 1 1 35 35 GLU CA C 35 56.589 56.589 57.513 -0.924 25433 3405 1 18 . 1 1 35 35 GLU CB C 35 30.584 30.584 29.861 0.723 25433 3406 1 18 . 1 1 35 35 GLU H H 35 7.750 7.750 7.534 0.216 25433 3407 1 18 . 1 1 36 36 ALA N N 36 122.364 122.364 122.725 -0.361 25433 3408 1 18 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.352 -0.080 25433 3409 1 18 . 1 1 36 36 ALA C C 36 177.942 177.942 179.270 -1.328 25433 3410 1 18 . 1 1 36 36 ALA CA C 36 52.881 52.881 54.122 -1.241 25433 3411 1 18 . 1 1 36 36 ALA CB C 36 20.587 20.587 19.854 0.733 25433 3412 1 18 . 1 1 36 36 ALA H H 36 8.216 8.216 7.512 0.704 25433 3413 1 18 . 1 1 37 37 GLU N N 37 117.040 117.040 116.622 0.418 25433 3414 1 18 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.365 -0.012 25433 3415 1 18 . 1 1 37 37 GLU C C 37 176.592 176.592 176.678 -0.086 25433 3416 1 18 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.434 1.042 25433 3417 1 18 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.229 -0.059 25433 3418 1 18 . 1 1 37 37 GLU H H 37 8.161 8.161 7.791 0.370 25433 3419 1 18 . 1 1 38 38 GLN N N 38 120.895 120.895 117.148 3.747 25433 3420 1 18 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.060 0.194 25433 3421 1 18 . 1 1 38 38 GLN C C 38 175.615 175.615 174.954 0.661 25433 3422 1 18 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.491 -0.802 25433 3423 1 18 . 1 1 38 38 GLN CB C 38 29.560 29.560 28.545 1.015 25433 3424 1 18 . 1 1 38 38 GLN H H 38 8.262 8.262 7.842 0.420 25433 3425 1 18 . 1 1 39 39 LYS N N 39 122.996 122.996 123.874 -0.878 25433 3426 1 18 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.142 0.154 25433 3427 1 18 . 1 1 39 39 LYS C C 39 176.240 176.240 176.135 0.105 25433 3428 1 18 . 1 1 39 39 LYS CA C 39 55.795 55.795 56.389 -0.594 25433 3429 1 18 . 1 1 39 39 LYS CB C 39 32.981 32.981 32.885 0.097 25433 3430 1 18 . 1 1 39 39 LYS H H 39 8.416 8.416 8.042 0.374 25433 3431 1 18 . 1 1 40 40 LEU N N 40 123.709 123.709 125.577 -1.868 25433 3432 1 18 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.498 0.077 25433 3433 1 18 . 1 1 40 40 LEU CA C 40 52.786 52.786 52.848 -0.062 25433 3434 1 18 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.657 -0.189 25433 3435 1 18 . 1 1 40 40 LEU H H 40 8.292 8.292 8.208 0.084 25433 3436 1 18 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.403 -0.055 25433 3437 1 18 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.507 -1.944 25433 3438 1 18 . 1 1 41 41 PRO CB C 41 32.340 32.340 32.159 0.181 25433 3439 1 19 . 1 1 7 7 ASN N N 7 121.300 121.300 119.277 2.023 25433 3440 1 19 . 1 1 7 7 ASN CB C 7 30.000 30.000 37.542 -7.542 25433 3441 1 19 . 1 1 7 7 ASN H H 7 8.535 8.535 8.335 0.200 25433 3442 1 19 . 1 1 8 8 GLU N N 8 119.801 119.801 119.642 0.159 25433 3443 1 19 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.253 0.187 25433 3444 1 19 . 1 1 8 8 GLU C C 8 175.693 175.693 176.707 -1.014 25433 3445 1 19 . 1 1 8 8 GLU CA C 8 55.855 55.855 56.813 -0.958 25433 3446 1 19 . 1 1 8 8 GLU CB C 8 31.029 31.029 29.780 1.248 25433 3447 1 19 . 1 1 8 8 GLU H H 8 8.372 8.372 7.592 0.780 25433 3448 1 19 . 1 1 9 9 ASP N N 9 120.567 120.567 121.079 -0.512 25433 3449 1 19 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.392 0.335 25433 3450 1 19 . 1 1 9 9 ASP C C 9 175.618 175.618 176.189 -0.571 25433 3451 1 19 . 1 1 9 9 ASP CA C 9 54.857 54.857 55.581 -0.725 25433 3452 1 19 . 1 1 9 9 ASP CB C 9 41.330 41.330 40.657 0.673 25433 3453 1 19 . 1 1 9 9 ASP H H 9 8.158 8.158 7.739 0.419 25433 3454 1 19 . 1 1 10 10 TRP N N 10 116.757 116.757 122.161 -5.404 25433 3455 1 19 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.618 0.396 25433 3456 1 19 . 1 1 10 10 TRP C C 10 173.732 173.732 175.116 -1.384 25433 3457 1 19 . 1 1 10 10 TRP CA C 10 54.037 54.037 56.045 -2.008 25433 3458 1 19 . 1 1 10 10 TRP CB C 10 31.370 31.370 29.362 2.008 25433 3459 1 19 . 1 1 10 10 TRP H H 10 8.476 8.476 7.873 0.603 25433 3460 1 19 . 1 1 11 11 LEU N N 11 122.486 122.486 126.872 -4.386 25433 3461 1 19 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.763 -0.244 25433 3462 1 19 . 1 1 11 11 LEU C C 11 176.547 176.547 177.567 -1.020 25433 3463 1 19 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.549 -0.232 25433 3464 1 19 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.531 1.129 25433 3465 1 19 . 1 1 11 11 LEU H H 11 8.810 8.810 8.270 0.540 25433 3466 1 19 . 1 1 12 12 CYS N N 12 126.739 126.739 126.032 0.707 25433 3467 1 19 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.654 -0.067 25433 3468 1 19 . 1 1 12 12 CYS C C 12 177.636 177.636 175.789 1.847 25433 3469 1 19 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.233 0.273 25433 3470 1 19 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.531 1.799 25433 3471 1 19 . 1 1 12 12 CYS H H 12 8.574 8.574 8.418 0.156 25433 3472 1 19 . 1 1 13 13 ASN N N 13 127.516 127.516 123.344 4.172 25433 3473 1 19 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.629 -0.095 25433 3474 1 19 . 1 1 13 13 ASN C C 13 175.471 175.471 175.833 -0.362 25433 3475 1 19 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.810 0.161 25433 3476 1 19 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.525 0.251 25433 3477 1 19 . 1 1 13 13 ASN H H 13 9.229 9.229 8.965 0.264 25433 3478 1 19 . 1 1 14 14 LYS N N 14 120.919 120.919 120.766 0.153 25433 3479 1 19 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.395 -0.036 25433 3480 1 19 . 1 1 14 14 LYS C C 14 178.199 178.199 178.265 -0.066 25433 3481 1 19 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.328 -0.900 25433 3482 1 19 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.925 -0.219 25433 3483 1 19 . 1 1 14 14 LYS H H 14 9.274 9.274 8.206 1.068 25433 3484 1 19 . 1 1 15 15 CYS N N 15 119.236 119.236 115.256 3.980 25433 3485 1 19 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.597 0.125 25433 3486 1 19 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.101 5.252 25433 3487 1 19 . 1 1 15 15 CYS H H 15 9.014 9.014 8.052 0.962 25433 3488 1 19 . 1 1 16 16 GLY N N 16 110.235 110.235 111.289 -1.054 25433 3489 1 19 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.260 1.035 25433 3490 1 19 . 1 1 16 16 GLY H H 16 7.817 7.817 8.215 -0.398 25433 3491 1 19 . 1 1 17 17 VAL N N 17 121.337 121.337 114.593 6.744 25433 3492 1 19 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.291 -0.041 25433 3493 1 19 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.843 0.282 25433 3494 1 19 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.107 0.285 25433 3495 1 19 . 1 1 17 17 VAL H H 17 8.220 8.220 7.037 1.183 25433 3496 1 19 . 1 1 18 18 GLN N N 18 121.310 121.310 125.258 -3.948 25433 3497 1 19 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.297 0.056 25433 3498 1 19 . 1 1 18 18 GLN C C 18 174.823 174.823 175.508 -0.685 25433 3499 1 19 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.952 0.356 25433 3500 1 19 . 1 1 18 18 GLN CB C 18 29.505 29.505 29.128 0.377 25433 3501 1 19 . 1 1 18 18 GLN H H 18 8.218 8.218 8.657 -0.439 25433 3502 1 19 . 1 1 19 19 ASN N N 19 122.482 122.482 123.774 -1.292 25433 3503 1 19 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.766 -0.276 25433 3504 1 19 . 1 1 19 19 ASN C C 19 173.360 173.360 174.087 -0.727 25433 3505 1 19 . 1 1 19 19 ASN CA C 19 52.058 52.058 52.273 -0.215 25433 3506 1 19 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.080 4.292 25433 3507 1 19 . 1 1 19 19 ASN H H 19 9.041 9.041 7.749 1.292 25433 3508 1 19 . 1 1 20 20 PHE N N 20 117.484 117.484 119.596 -2.112 25433 3509 1 19 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.572 0.086 25433 3510 1 19 . 1 1 20 20 PHE C C 20 176.810 176.810 175.619 1.191 25433 3511 1 19 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.317 0.469 25433 3512 1 19 . 1 1 20 20 PHE CB C 20 40.003 40.003 37.681 2.321 25433 3513 1 19 . 1 1 20 20 PHE H H 20 7.846 7.846 8.472 -0.626 25433 3514 1 19 . 1 1 21 21 LYS N N 21 120.464 120.464 115.140 5.324 25433 3515 1 19 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.949 0.179 25433 3516 1 19 . 1 1 21 21 LYS C C 21 176.254 176.254 176.189 0.065 25433 3517 1 19 . 1 1 21 21 LYS CA C 21 58.878 58.878 57.916 0.962 25433 3518 1 19 . 1 1 21 21 LYS CB C 21 32.334 32.334 30.529 1.805 25433 3519 1 19 . 1 1 21 21 LYS H H 21 8.516 8.516 7.503 1.013 25433 3520 1 19 . 1 1 22 22 ARG N N 22 112.820 112.820 116.078 -3.258 25433 3521 1 19 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.508 -0.279 25433 3522 1 19 . 1 1 22 22 ARG C C 22 176.851 176.851 176.842 0.009 25433 3523 1 19 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.885 0.541 25433 3524 1 19 . 1 1 22 22 ARG CB C 22 29.732 29.732 31.323 -1.591 25433 3525 1 19 . 1 1 22 22 ARG H H 22 7.125 7.125 7.841 -0.716 25433 3526 1 19 . 1 1 23 23 ARG N N 23 119.307 119.307 121.967 -2.660 25433 3527 1 19 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.542 -0.160 25433 3528 1 19 . 1 1 23 23 ARG C C 23 177.143 177.143 177.417 -0.274 25433 3529 1 19 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.603 1.433 25433 3530 1 19 . 1 1 23 23 ARG CB C 23 30.944 30.944 30.709 0.235 25433 3531 1 19 . 1 1 23 23 ARG H H 23 8.349 8.349 7.887 0.462 25433 3532 1 19 . 1 1 24 24 GLU N N 24 120.195 120.195 123.164 -2.969 25433 3533 1 19 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.105 0.159 25433 3534 1 19 . 1 1 24 24 GLU C C 24 176.371 176.371 176.359 0.012 25433 3535 1 19 . 1 1 24 24 GLU CA C 24 56.975 56.975 58.808 -1.833 25433 3536 1 19 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.154 0.665 25433 3537 1 19 . 1 1 24 24 GLU H H 24 8.967 8.967 9.153 -0.186 25433 3538 1 19 . 1 1 25 25 LYS N N 25 116.632 116.632 116.382 0.250 25433 3539 1 19 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.113 -0.207 25433 3540 1 19 . 1 1 25 25 LYS C C 25 174.820 174.820 176.052 -1.232 25433 3541 1 19 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.339 -0.275 25433 3542 1 19 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.172 -0.429 25433 3543 1 19 . 1 1 25 25 LYS H H 25 7.862 7.862 7.849 0.013 25433 3544 1 19 . 1 1 26 26 CYS N N 26 124.535 124.535 119.512 5.023 25433 3545 1 19 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.553 -0.371 25433 3546 1 19 . 1 1 26 26 CYS C C 26 178.895 178.895 176.291 2.604 25433 3547 1 19 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.869 -1.695 25433 3548 1 19 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.940 3.002 25433 3549 1 19 . 1 1 26 26 CYS H H 26 8.678 8.678 8.632 0.046 25433 3550 1 19 . 1 1 27 27 PHE N N 27 129.286 129.286 122.524 6.762 25433 3551 1 19 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.455 -0.105 25433 3552 1 19 . 1 1 27 27 PHE C C 27 174.408 174.408 175.418 -1.010 25433 3553 1 19 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.264 0.462 25433 3554 1 19 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.005 0.418 25433 3555 1 19 . 1 1 27 27 PHE H H 27 9.344 9.344 8.830 0.514 25433 3556 1 19 . 1 1 28 28 LYS N N 28 124.525 124.525 115.064 9.461 25433 3557 1 19 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.297 -0.234 25433 3558 1 19 . 1 1 28 28 LYS C C 28 177.362 177.362 176.196 1.166 25433 3559 1 19 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.513 0.731 25433 3560 1 19 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.551 1.759 25433 3561 1 19 . 1 1 28 28 LYS H H 28 8.765 8.765 7.685 1.080 25433 3562 1 19 . 1 1 29 29 CYS N N 29 117.596 117.596 120.285 -2.689 25433 3563 1 19 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.813 -0.016 25433 3564 1 19 . 1 1 29 29 CYS C C 29 177.501 177.501 174.859 2.642 25433 3565 1 19 . 1 1 29 29 CYS CA C 29 58.921 58.921 58.452 0.469 25433 3566 1 19 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.811 4.277 25433 3567 1 19 . 1 1 29 29 CYS H H 29 8.357 8.357 8.425 -0.068 25433 3568 1 19 . 1 1 30 30 GLY N N 30 110.623 110.623 109.940 0.683 25433 3569 1 19 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.600 0.535 25433 3570 1 19 . 1 1 30 30 GLY H H 30 7.519 7.519 7.588 -0.069 25433 3571 1 19 . 1 1 31 31 VAL N N 31 122.592 122.592 119.885 2.707 25433 3572 1 19 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.480 -0.132 25433 3573 1 19 . 1 1 31 31 VAL CA C 31 61.591 61.591 58.066 3.526 25433 3574 1 19 . 1 1 31 31 VAL CB C 31 32.238 32.238 34.801 -2.563 25433 3575 1 19 . 1 1 31 31 VAL H H 31 8.120 8.120 7.945 0.175 25433 3576 1 19 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.358 0.292 25433 3577 1 19 . 1 1 32 32 PRO C C 32 176.413 176.413 176.588 -0.175 25433 3578 1 19 . 1 1 32 32 PRO CA C 32 62.772 62.772 63.056 -0.284 25433 3579 1 19 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.121 0.529 25433 3580 1 19 . 1 1 33 33 LYS N N 33 122.957 122.957 125.264 -2.307 25433 3581 1 19 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.437 0.672 25433 3582 1 19 . 1 1 33 33 LYS C C 33 176.726 176.726 177.855 -1.129 25433 3583 1 19 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.734 -1.375 25433 3584 1 19 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.685 1.015 25433 3585 1 19 . 1 1 33 33 LYS H H 33 7.956 7.956 8.368 -0.412 25433 3586 1 19 . 1 1 34 34 SER N N 34 112.323 112.323 112.323 0.000 25433 3587 1 19 . 1 1 34 34 SER HA H 34 4.138 4.138 4.337 -0.199 25433 3588 1 19 . 1 1 34 34 SER C C 34 175.141 175.141 175.324 -0.183 25433 3589 1 19 . 1 1 34 34 SER CA C 34 59.160 59.160 60.547 -1.387 25433 3590 1 19 . 1 1 34 34 SER CB C 34 62.820 62.820 63.013 -0.193 25433 3591 1 19 . 1 1 34 34 SER H H 34 8.139 8.139 8.428 -0.289 25433 3592 1 19 . 1 1 35 35 GLU N N 35 120.171 120.171 119.049 1.122 25433 3593 1 19 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.232 0.019 25433 3594 1 19 . 1 1 35 35 GLU C C 35 176.796 176.796 176.426 0.370 25433 3595 1 19 . 1 1 35 35 GLU CA C 35 56.589 56.589 57.105 -0.516 25433 3596 1 19 . 1 1 35 35 GLU CB C 35 30.584 30.584 29.772 0.812 25433 3597 1 19 . 1 1 35 35 GLU H H 35 7.750 7.750 7.200 0.550 25433 3598 1 19 . 1 1 36 36 ALA N N 36 122.364 122.364 121.813 0.551 25433 3599 1 19 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.538 -0.266 25433 3600 1 19 . 1 1 36 36 ALA C C 36 177.942 177.942 178.105 -0.163 25433 3601 1 19 . 1 1 36 36 ALA CA C 36 52.881 52.881 53.516 -0.635 25433 3602 1 19 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.458 0.129 25433 3603 1 19 . 1 1 36 36 ALA H H 36 8.216 8.216 7.325 0.891 25433 3604 1 19 . 1 1 37 37 GLU N N 37 117.040 117.040 118.871 -1.831 25433 3605 1 19 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.529 -0.176 25433 3606 1 19 . 1 1 37 37 GLU C C 37 176.592 176.592 175.734 0.858 25433 3607 1 19 . 1 1 37 37 GLU CA C 37 56.475 56.475 54.592 1.883 25433 3608 1 19 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.489 -0.319 25433 3609 1 19 . 1 1 37 37 GLU H H 37 8.161 8.161 7.876 0.285 25433 3610 1 19 . 1 1 38 38 GLN N N 38 120.895 120.895 119.714 1.181 25433 3611 1 19 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.411 -0.157 25433 3612 1 19 . 1 1 38 38 GLN C C 38 175.615 175.615 175.720 -0.105 25433 3613 1 19 . 1 1 38 38 GLN CA C 38 55.689 55.689 55.019 0.670 25433 3614 1 19 . 1 1 38 38 GLN CB C 38 29.560 29.560 29.503 0.057 25433 3615 1 19 . 1 1 38 38 GLN H H 38 8.262 8.262 8.574 -0.312 25433 3616 1 19 . 1 1 39 39 LYS N N 39 122.996 122.996 125.262 -2.266 25433 3617 1 19 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.323 -0.027 25433 3618 1 19 . 1 1 39 39 LYS C C 39 176.240 176.240 176.600 -0.360 25433 3619 1 19 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.646 0.149 25433 3620 1 19 . 1 1 39 39 LYS CB C 39 32.981 32.981 31.533 1.448 25433 3621 1 19 . 1 1 39 39 LYS H H 39 8.416 8.416 8.602 -0.186 25433 3622 1 19 . 1 1 40 40 LEU N N 40 123.709 123.709 125.028 -1.319 25433 3623 1 19 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.578 -0.003 25433 3624 1 19 . 1 1 40 40 LEU CA C 40 52.786 52.786 52.282 0.503 25433 3625 1 19 . 1 1 40 40 LEU CB C 40 41.468 41.468 40.577 0.891 25433 3626 1 19 . 1 1 40 40 LEU H H 40 8.292 8.292 8.101 0.191 25433 3627 1 19 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.373 -0.025 25433 3628 1 19 . 1 1 41 41 PRO CA C 41 61.562 61.562 62.855 -1.294 25433 3629 1 19 . 1 1 41 41 PRO CB C 41 32.340 32.340 31.240 1.100 25433 3630 1 20 . 1 1 7 7 ASN N N 7 121.300 121.300 119.494 1.806 25433 3631 1 20 . 1 1 7 7 ASN CB C 7 30.000 30.000 39.086 -9.086 25433 3632 1 20 . 1 1 7 7 ASN H H 7 8.535 8.535 7.927 0.608 25433 3633 1 20 . 1 1 8 8 GLU N N 8 119.801 119.801 121.206 -1.405 25433 3634 1 20 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.380 0.060 25433 3635 1 20 . 1 1 8 8 GLU C C 8 175.693 175.693 175.689 0.004 25433 3636 1 20 . 1 1 8 8 GLU CA C 8 55.855 55.855 55.212 0.643 25433 3637 1 20 . 1 1 8 8 GLU CB C 8 31.029 31.029 29.882 1.147 25433 3638 1 20 . 1 1 8 8 GLU H H 8 8.372 8.372 8.604 -0.232 25433 3639 1 20 . 1 1 9 9 ASP N N 9 120.567 120.567 118.551 2.016 25433 3640 1 20 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.493 0.234 25433 3641 1 20 . 1 1 9 9 ASP C C 9 175.618 175.618 175.738 -0.120 25433 3642 1 20 . 1 1 9 9 ASP CA C 9 54.857 54.857 53.849 1.008 25433 3643 1 20 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.135 0.195 25433 3644 1 20 . 1 1 9 9 ASP H H 9 8.158 8.158 8.004 0.154 25433 3645 1 20 . 1 1 10 10 TRP N N 10 116.757 116.757 117.027 -0.270 25433 3646 1 20 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.873 0.141 25433 3647 1 20 . 1 1 10 10 TRP C C 10 173.732 173.732 174.660 -0.928 25433 3648 1 20 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.319 -1.282 25433 3649 1 20 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.016 1.354 25433 3650 1 20 . 1 1 10 10 TRP H H 10 8.476 8.476 7.600 0.876 25433 3651 1 20 . 1 1 11 11 LEU N N 11 122.486 122.486 126.585 -4.099 25433 3652 1 20 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.486 0.033 25433 3653 1 20 . 1 1 11 11 LEU C C 11 176.547 176.547 176.696 -0.149 25433 3654 1 20 . 1 1 11 11 LEU CA C 11 53.317 53.317 54.146 -0.829 25433 3655 1 20 . 1 1 11 11 LEU CB C 11 43.660 43.660 41.792 1.868 25433 3656 1 20 . 1 1 11 11 LEU H H 11 8.810 8.810 8.342 0.468 25433 3657 1 20 . 1 1 12 12 CYS N N 12 126.739 126.739 124.562 2.177 25433 3658 1 20 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.611 -0.024 25433 3659 1 20 . 1 1 12 12 CYS C C 12 177.636 177.636 175.980 1.656 25433 3660 1 20 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.776 -0.270 25433 3661 1 20 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.543 1.787 25433 3662 1 20 . 1 1 12 12 CYS H H 12 8.574 8.574 8.151 0.423 25433 3663 1 20 . 1 1 13 13 ASN N N 13 127.516 127.516 121.999 5.517 25433 3664 1 20 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.765 -0.231 25433 3665 1 20 . 1 1 13 13 ASN C C 13 175.471 175.471 175.904 -0.433 25433 3666 1 20 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.941 0.031 25433 3667 1 20 . 1 1 13 13 ASN CB C 13 38.776 38.776 39.173 -0.397 25433 3668 1 20 . 1 1 13 13 ASN H H 13 9.229 9.229 8.961 0.268 25433 3669 1 20 . 1 1 14 14 LYS N N 14 120.919 120.919 120.178 0.741 25433 3670 1 20 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.329 0.030 25433 3671 1 20 . 1 1 14 14 LYS C C 14 178.199 178.199 178.113 0.086 25433 3672 1 20 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.527 -1.099 25433 3673 1 20 . 1 1 14 14 LYS CB C 14 32.706 32.706 32.923 -0.217 25433 3674 1 20 . 1 1 14 14 LYS H H 14 9.274 9.274 8.292 0.982 25433 3675 1 20 . 1 1 15 15 CYS N N 15 119.236 119.236 113.589 5.647 25433 3676 1 20 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.701 0.021 25433 3677 1 20 . 1 1 15 15 CYS CB C 15 32.353 32.353 28.182 4.171 25433 3678 1 20 . 1 1 15 15 CYS H H 15 9.014 9.014 8.263 0.751 25433 3679 1 20 . 1 1 16 16 GLY N N 16 110.235 110.235 110.886 -0.651 25433 3680 1 20 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.163 1.132 25433 3681 1 20 . 1 1 16 16 GLY H H 16 7.817 7.817 8.102 -0.285 25433 3682 1 20 . 1 1 17 17 VAL N N 17 121.337 121.337 115.610 5.727 25433 3683 1 20 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.317 -0.067 25433 3684 1 20 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.432 0.692 25433 3685 1 20 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.259 0.133 25433 3686 1 20 . 1 1 17 17 VAL H H 17 8.220 8.220 7.258 0.962 25433 3687 1 20 . 1 1 18 18 GLN N N 18 121.310 121.310 124.484 -3.174 25433 3688 1 20 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.510 -0.157 25433 3689 1 20 . 1 1 18 18 GLN C C 18 174.823 174.823 174.787 0.036 25433 3690 1 20 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.919 0.389 25433 3691 1 20 . 1 1 18 18 GLN CB C 18 29.505 29.505 29.276 0.229 25433 3692 1 20 . 1 1 18 18 GLN H H 18 8.218 8.218 8.621 -0.403 25433 3693 1 20 . 1 1 19 19 ASN N N 19 122.482 122.482 122.937 -0.455 25433 3694 1 20 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.837 -0.347 25433 3695 1 20 . 1 1 19 19 ASN C C 19 173.360 173.360 173.637 -0.277 25433 3696 1 20 . 1 1 19 19 ASN CA C 19 52.058 52.058 51.678 0.379 25433 3697 1 20 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.498 3.874 25433 3698 1 20 . 1 1 19 19 ASN H H 19 9.041 9.041 8.289 0.752 25433 3699 1 20 . 1 1 20 20 PHE N N 20 117.484 117.484 119.026 -1.542 25433 3700 1 20 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.565 0.093 25433 3701 1 20 . 1 1 20 20 PHE C C 20 176.810 176.810 176.383 0.427 25433 3702 1 20 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.538 0.248 25433 3703 1 20 . 1 1 20 20 PHE CB C 20 40.003 40.003 38.949 1.054 25433 3704 1 20 . 1 1 20 20 PHE H H 20 7.846 7.846 8.451 -0.605 25433 3705 1 20 . 1 1 21 21 LYS N N 21 120.464 120.464 119.615 0.849 25433 3706 1 20 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.885 0.243 25433 3707 1 20 . 1 1 21 21 LYS C C 21 176.254 176.254 176.629 -0.375 25433 3708 1 20 . 1 1 21 21 LYS CA C 21 58.878 58.878 58.867 0.011 25433 3709 1 20 . 1 1 21 21 LYS CB C 21 32.334 32.334 31.231 1.103 25433 3710 1 20 . 1 1 21 21 LYS H H 21 8.516 8.516 8.083 0.433 25433 3711 1 20 . 1 1 22 22 ARG N N 22 112.820 112.820 120.931 -8.111 25433 3712 1 20 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.409 -0.180 25433 3713 1 20 . 1 1 22 22 ARG C C 22 176.851 176.851 176.002 0.849 25433 3714 1 20 . 1 1 22 22 ARG CA C 22 56.426 56.426 55.417 1.009 25433 3715 1 20 . 1 1 22 22 ARG CB C 22 29.732 29.732 28.294 1.438 25433 3716 1 20 . 1 1 22 22 ARG H H 22 7.125 7.125 7.753 -0.628 25433 3717 1 20 . 1 1 23 23 ARG N N 23 119.307 119.307 121.426 -2.119 25433 3718 1 20 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.858 -0.476 25433 3719 1 20 . 1 1 23 23 ARG C C 23 177.143 177.143 176.161 0.982 25433 3720 1 20 . 1 1 23 23 ARG CA C 23 57.037 57.037 54.926 2.111 25433 3721 1 20 . 1 1 23 23 ARG CB C 23 30.944 30.944 31.876 -0.932 25433 3722 1 20 . 1 1 23 23 ARG H H 23 8.349 8.349 8.192 0.157 25433 3723 1 20 . 1 1 24 24 GLU N N 24 120.195 120.195 124.645 -4.450 25433 3724 1 20 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.021 0.243 25433 3725 1 20 . 1 1 24 24 GLU C C 24 176.371 176.371 175.951 0.420 25433 3726 1 20 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.562 -2.587 25433 3727 1 20 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.281 0.538 25433 3728 1 20 . 1 1 24 24 GLU H H 24 8.967 8.967 9.051 -0.084 25433 3729 1 20 . 1 1 25 25 LYS N N 25 116.632 116.632 115.881 0.751 25433 3730 1 20 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.295 -0.389 25433 3731 1 20 . 1 1 25 25 LYS C C 25 174.820 174.820 175.701 -0.881 25433 3732 1 20 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.285 -0.221 25433 3733 1 20 . 1 1 25 25 LYS CB C 25 35.743 35.743 36.392 -0.649 25433 3734 1 20 . 1 1 25 25 LYS H H 25 7.862 7.862 7.827 0.035 25433 3735 1 20 . 1 1 26 26 CYS N N 26 124.535 124.535 119.212 5.323 25433 3736 1 20 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.437 -0.256 25433 3737 1 20 . 1 1 26 26 CYS C C 26 178.895 178.895 176.280 2.615 25433 3738 1 20 . 1 1 26 26 CYS CA C 26 59.174 59.174 61.248 -2.074 25433 3739 1 20 . 1 1 26 26 CYS CB C 26 30.942 30.942 28.163 2.779 25433 3740 1 20 . 1 1 26 26 CYS H H 26 8.678 8.678 8.505 0.173 25433 3741 1 20 . 1 1 27 27 PHE N N 27 129.286 129.286 121.946 7.340 25433 3742 1 20 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.364 -0.014 25433 3743 1 20 . 1 1 27 27 PHE C C 27 174.408 174.408 175.655 -1.247 25433 3744 1 20 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.960 -0.234 25433 3745 1 20 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.311 0.113 25433 3746 1 20 . 1 1 27 27 PHE H H 27 9.344 9.344 8.929 0.415 25433 3747 1 20 . 1 1 28 28 LYS N N 28 124.525 124.525 115.525 9.000 25433 3748 1 20 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.266 -0.203 25433 3749 1 20 . 1 1 28 28 LYS C C 28 177.362 177.362 176.565 0.797 25433 3750 1 20 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.287 0.957 25433 3751 1 20 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.662 1.648 25433 3752 1 20 . 1 1 28 28 LYS H H 28 8.765 8.765 7.593 1.172 25433 3753 1 20 . 1 1 29 29 CYS N N 29 117.596 117.596 119.845 -2.249 25433 3754 1 20 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.568 0.229 25433 3755 1 20 . 1 1 29 29 CYS C C 29 177.501 177.501 175.602 1.899 25433 3756 1 20 . 1 1 29 29 CYS CA C 29 58.921 58.921 60.069 -1.148 25433 3757 1 20 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.475 4.613 25433 3758 1 20 . 1 1 29 29 CYS H H 29 8.357 8.357 8.316 0.041 25433 3759 1 20 . 1 1 30 30 GLY N N 30 110.623 110.623 107.750 2.873 25433 3760 1 20 . 1 1 30 30 GLY CA C 30 46.135 46.135 44.691 1.444 25433 3761 1 20 . 1 1 30 30 GLY H H 30 7.519 7.519 8.329 -0.810 25433 3762 1 20 . 1 1 31 31 VAL N N 31 122.592 122.592 120.804 1.788 25433 3763 1 20 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.243 0.105 25433 3764 1 20 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.721 1.870 25433 3765 1 20 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.496 -1.258 25433 3766 1 20 . 1 1 31 31 VAL H H 31 8.120 8.120 7.930 0.190 25433 3767 1 20 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.591 0.059 25433 3768 1 20 . 1 1 32 32 PRO C C 32 176.413 176.413 177.443 -1.030 25433 3769 1 20 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.536 0.236 25433 3770 1 20 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.445 0.205 25433 3771 1 20 . 1 1 33 33 LYS N N 33 122.957 122.957 123.151 -0.194 25433 3772 1 20 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.720 0.389 25433 3773 1 20 . 1 1 33 33 LYS C C 33 176.726 176.726 177.717 -0.991 25433 3774 1 20 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.272 -0.913 25433 3775 1 20 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.707 0.993 25433 3776 1 20 . 1 1 33 33 LYS H H 33 7.956 7.956 8.414 -0.458 25433 3777 1 20 . 1 1 34 34 SER N N 34 112.323 112.323 111.901 0.422 25433 3778 1 20 . 1 1 34 34 SER HA H 34 4.138 4.138 4.103 0.035 25433 3779 1 20 . 1 1 34 34 SER C C 34 175.141 175.141 175.045 0.096 25433 3780 1 20 . 1 1 34 34 SER CA C 34 59.160 59.160 60.352 -1.192 25433 3781 1 20 . 1 1 34 34 SER CB C 34 62.820 62.820 62.639 0.181 25433 3782 1 20 . 1 1 34 34 SER H H 34 8.139 8.139 8.430 -0.291 25433 3783 1 20 . 1 1 35 35 GLU N N 35 120.171 120.171 118.559 1.612 25433 3784 1 20 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.288 -0.037 25433 3785 1 20 . 1 1 35 35 GLU C C 35 176.796 176.796 176.151 0.645 25433 3786 1 20 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.048 0.541 25433 3787 1 20 . 1 1 35 35 GLU CB C 35 30.584 30.584 29.966 0.618 25433 3788 1 20 . 1 1 35 35 GLU H H 35 7.750 7.750 7.470 0.280 25433 3789 1 20 . 1 1 36 36 ALA N N 36 122.364 122.364 121.165 1.199 25433 3790 1 20 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.561 -0.289 25433 3791 1 20 . 1 1 36 36 ALA C C 36 177.942 177.942 177.398 0.544 25433 3792 1 20 . 1 1 36 36 ALA CA C 36 52.881 52.881 52.273 0.609 25433 3793 1 20 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.760 -0.173 25433 3794 1 20 . 1 1 36 36 ALA H H 36 8.216 8.216 7.488 0.728 25433 3795 1 20 . 1 1 37 37 GLU N N 37 117.040 117.040 119.864 -2.824 25433 3796 1 20 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.387 -0.034 25433 3797 1 20 . 1 1 37 37 GLU C C 37 176.592 176.592 176.303 0.289 25433 3798 1 20 . 1 1 37 37 GLU CA C 37 56.475 56.475 56.093 0.382 25433 3799 1 20 . 1 1 37 37 GLU CB C 37 30.170 30.170 30.736 -0.566 25433 3800 1 20 . 1 1 37 37 GLU H H 37 8.161 8.161 7.935 0.226 25433 3801 1 20 . 1 1 38 38 GLN N N 38 120.895 120.895 120.160 0.735 25433 3802 1 20 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.264 -0.010 25433 3803 1 20 . 1 1 38 38 GLN C C 38 175.615 175.615 175.742 -0.127 25433 3804 1 20 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.114 -0.425 25433 3805 1 20 . 1 1 38 38 GLN CB C 38 29.560 29.560 29.016 0.544 25433 3806 1 20 . 1 1 38 38 GLN H H 38 8.262 8.262 8.407 -0.145 25433 3807 1 20 . 1 1 39 39 LYS N N 39 122.996 122.996 121.640 1.356 25433 3808 1 20 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.202 0.094 25433 3809 1 20 . 1 1 39 39 LYS C C 39 176.240 176.240 175.715 0.525 25433 3810 1 20 . 1 1 39 39 LYS CA C 39 55.795 55.795 56.507 -0.712 25433 3811 1 20 . 1 1 39 39 LYS CB C 39 32.981 32.981 32.531 0.450 25433 3812 1 20 . 1 1 39 39 LYS H H 39 8.416 8.416 8.413 0.003 25433 3813 1 20 . 1 1 40 40 LEU N N 40 123.709 123.709 122.855 0.854 25433 3814 1 20 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.776 -0.201 25433 3815 1 20 . 1 1 40 40 LEU CA C 40 52.786 52.786 51.382 1.404 25433 3816 1 20 . 1 1 40 40 LEU CB C 40 41.468 41.468 42.820 -1.352 25433 3817 1 20 . 1 1 40 40 LEU H H 40 8.292 8.292 8.139 0.153 25433 3818 1 20 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.494 -0.146 25433 3819 1 20 . 1 1 41 41 PRO CA C 41 61.562 61.562 64.067 -2.505 25433 3820 1 20 . 1 1 41 41 PRO CB C 41 32.340 32.340 31.702 0.638 25433 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 33 3.504 -0.597 3.506 25433 2 1 1 "Average Difference" HA 32 0.196 0.009 0.199 25433 3 1 1 "Average Difference" C 27 1.101 -0.263 1.089 25433 4 1 1 "Average Difference" CA 33 1.094 0.062 1.110 25433 5 1 1 "Average Difference" CB 33 2.126 -0.667 2.050 25433 6 1 1 "Average Difference" HN 33 0.597 -0.237 0.557 25433 7 1 2 "Average Difference" N 33 3.674 -0.799 3.642 25433 8 1 2 "Average Difference" HA 32 0.256 0.040 0.257 25433 9 1 2 "Average Difference" C 27 0.975 0.138 0.984 25433 10 1 2 "Average Difference" CA 33 0.966 0.109 0.974 25433 11 1 2 "Average Difference" CB 33 2.412 -0.735 2.333 25433 12 1 2 "Average Difference" HN 33 0.619 -0.265 0.568 25433 13 1 3 "Average Difference" N 33 3.967 -0.208 4.023 25433 14 1 3 "Average Difference" HA 32 0.226 0.053 0.223 25433 15 1 3 "Average Difference" C 27 1.161 -0.086 1.180 25433 16 1 3 "Average Difference" CA 33 1.236 0.201 1.239 25433 17 1 3 "Average Difference" CB 33 2.334 -0.547 2.304 25433 18 1 3 "Average Difference" HN 33 0.664 -0.178 0.650 25433 19 1 4 "Average Difference" N 33 3.617 -0.663 3.611 25433 20 1 4 "Average Difference" HA 32 0.218 -0.005 0.222 25433 21 1 4 "Average Difference" C 27 0.902 -0.011 0.919 25433 22 1 4 "Average Difference" CA 33 1.098 0.205 1.096 25433 23 1 4 "Average Difference" CB 33 2.272 -0.695 2.197 25433 24 1 4 "Average Difference" HN 33 0.541 -0.237 0.494 25433 25 1 5 "Average Difference" N 33 3.464 -0.351 3.500 25433 26 1 5 "Average Difference" HA 32 0.180 0.017 0.182 25433 27 1 5 "Average Difference" C 27 1.169 0.051 1.190 25433 28 1 5 "Average Difference" CA 33 1.191 0.145 1.200 25433 29 1 5 "Average Difference" CB 33 2.417 -0.810 2.312 25433 30 1 5 "Average Difference" HN 33 0.606 -0.238 0.566 25433 31 1 6 "Average Difference" N 33 3.924 -0.419 3.962 25433 32 1 6 "Average Difference" HA 32 0.223 0.076 0.213 25433 33 1 6 "Average Difference" C 27 0.844 -0.178 0.840 25433 34 1 6 "Average Difference" CA 33 1.106 0.021 1.123 25433 35 1 6 "Average Difference" CB 33 2.203 -0.444 2.192 25433 36 1 6 "Average Difference" HN 33 0.529 -0.191 0.500 25433 37 1 7 "Average Difference" N 33 3.480 -0.366 3.514 25433 38 1 7 "Average Difference" HA 32 0.257 0.065 0.253 25433 39 1 7 "Average Difference" C 27 1.063 -0.308 1.037 25433 40 1 7 "Average Difference" CA 33 1.051 -0.022 1.067 25433 41 1 7 "Average Difference" CB 33 2.344 -0.622 2.295 25433 42 1 7 "Average Difference" HN 33 0.584 -0.219 0.550 25433 43 1 8 "Average Difference" N 33 3.887 -0.197 3.942 25433 44 1 8 "Average Difference" HA 32 0.244 0.017 0.247 25433 45 1 8 "Average Difference" C 27 1.055 -0.144 1.065 25433 46 1 8 "Average Difference" CA 33 1.062 0.064 1.077 25433 47 1 8 "Average Difference" CB 33 2.258 -0.759 2.160 25433 48 1 8 "Average Difference" HN 33 0.577 -0.230 0.538 25433 49 1 9 "Average Difference" N 33 3.536 -0.522 3.552 25433 50 1 9 "Average Difference" HA 32 0.238 0.053 0.236 25433 51 1 9 "Average Difference" C 27 1.109 -0.208 1.110 25433 52 1 9 "Average Difference" CA 33 1.154 -0.115 1.166 25433 53 1 9 "Average Difference" CB 33 2.454 -0.634 2.407 25433 54 1 9 "Average Difference" HN 33 0.588 -0.202 0.561 25433 55 1 10 "Average Difference" N 33 3.640 -0.748 3.617 25433 56 1 10 "Average Difference" HA 32 0.215 0.025 0.217 25433 57 1 10 "Average Difference" C 27 1.012 -0.145 1.021 25433 58 1 10 "Average Difference" CA 33 1.116 0.124 1.127 25433 59 1 10 "Average Difference" CB 33 2.492 -0.601 2.456 25433 60 1 10 "Average Difference" HN 33 0.524 -0.219 0.484 25433 61 1 11 "Average Difference" N 33 3.677 -0.523 3.697 25433 62 1 11 "Average Difference" HA 32 0.257 0.002 0.262 25433 63 1 11 "Average Difference" C 27 1.055 0.001 1.075 25433 64 1 11 "Average Difference" CA 33 1.391 0.093 1.409 25433 65 1 11 "Average Difference" CB 33 2.471 -0.695 2.408 25433 66 1 11 "Average Difference" HN 33 0.591 -0.238 0.549 25433 67 1 12 "Average Difference" N 33 3.210 -0.894 3.131 25433 68 1 12 "Average Difference" HA 32 0.248 -0.000 0.252 25433 69 1 12 "Average Difference" C 27 1.051 -0.154 1.059 25433 70 1 12 "Average Difference" CA 33 1.175 0.198 1.176 25433 71 1 12 "Average Difference" CB 33 2.343 -0.571 2.308 25433 72 1 12 "Average Difference" HN 33 0.560 -0.197 0.533 25433 73 1 13 "Average Difference" N 33 3.745 -0.495 3.769 25433 74 1 13 "Average Difference" HA 32 0.215 0.005 0.219 25433 75 1 13 "Average Difference" C 27 1.028 -0.100 1.043 25433 76 1 13 "Average Difference" CA 33 1.040 0.210 1.034 25433 77 1 13 "Average Difference" CB 33 2.378 -0.823 2.266 25433 78 1 13 "Average Difference" HN 33 0.553 -0.231 0.510 25433 79 1 14 "Average Difference" N 33 3.253 -0.538 3.258 25433 80 1 14 "Average Difference" HA 32 0.235 0.012 0.238 25433 81 1 14 "Average Difference" C 27 0.951 -0.298 0.920 25433 82 1 14 "Average Difference" CA 33 1.252 0.237 1.248 25433 83 1 14 "Average Difference" CB 33 2.168 -0.466 2.150 25433 84 1 14 "Average Difference" HN 33 0.631 -0.198 0.609 25433 85 1 15 "Average Difference" N 33 3.587 -0.675 3.577 25433 86 1 15 "Average Difference" HA 32 0.205 0.008 0.208 25433 87 1 15 "Average Difference" C 27 1.085 -0.038 1.105 25433 88 1 15 "Average Difference" CA 33 1.250 0.215 1.251 25433 89 1 15 "Average Difference" CB 33 2.402 -0.506 2.385 25433 90 1 15 "Average Difference" HN 33 0.595 -0.212 0.564 25433 91 1 16 "Average Difference" N 33 3.956 -0.392 3.997 25433 92 1 16 "Average Difference" HA 32 0.212 0.022 0.214 25433 93 1 16 "Average Difference" C 27 1.051 -0.133 1.063 25433 94 1 16 "Average Difference" CA 33 0.928 0.162 0.928 25433 95 1 16 "Average Difference" CB 33 2.350 -0.663 2.289 25433 96 1 16 "Average Difference" HN 33 0.550 -0.183 0.527 25433 97 1 17 "Average Difference" N 33 3.149 -0.199 3.191 25433 98 1 17 "Average Difference" HA 32 0.265 -0.011 0.269 25433 99 1 17 "Average Difference" C 27 0.923 0.107 0.934 25433 100 1 17 "Average Difference" CA 33 1.170 0.173 1.175 25433 101 1 17 "Average Difference" CB 33 2.417 -0.541 2.392 25433 102 1 17 "Average Difference" HN 33 0.600 -0.210 0.571 25433 103 1 18 "Average Difference" N 33 3.412 -0.329 3.449 25433 104 1 18 "Average Difference" HA 32 0.266 0.060 0.263 25433 105 1 18 "Average Difference" C 27 1.030 0.040 1.049 25433 106 1 18 "Average Difference" CA 33 1.130 0.062 1.146 25433 107 1 18 "Average Difference" CB 33 2.417 -0.525 2.396 25433 108 1 18 "Average Difference" HN 33 0.518 -0.195 0.487 25433 109 1 19 "Average Difference" N 33 3.498 -0.394 3.530 25433 110 1 19 "Average Difference" HA 32 0.224 0.019 0.227 25433 111 1 19 "Average Difference" C 27 1.061 -0.011 1.081 25433 112 1 19 "Average Difference" CA 33 1.125 -0.003 1.142 25433 113 1 19 "Average Difference" CB 33 2.263 -0.755 2.167 25433 114 1 19 "Average Difference" HN 33 0.611 -0.272 0.555 25433 115 1 20 "Average Difference" N 33 3.593 -0.794 3.559 25433 116 1 20 "Average Difference" HA 32 0.202 0.033 0.202 25433 117 1 20 "Average Difference" C 27 0.916 -0.197 0.912 25433 118 1 20 "Average Difference" CA 33 1.149 0.012 1.167 25433 119 1 20 "Average Difference" CB 33 2.262 -0.516 2.237 25433 120 1 20 "Average Difference" HN 33 0.528 -0.191 0.500 25433 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 25433 _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 7 7 ASN N N 7 121.300 121.300 121.264 0.036 25433 2 1 . 1 1 7 7 ASN CB C 7 30.000 30.000 38.718 -8.718 25433 3 1 . 1 1 7 7 ASN H H 7 8.535 8.535 8.221 0.314 25433 4 1 . 1 1 8 8 GLU N N 8 119.801 119.801 121.497 -1.696 25433 5 1 . 1 1 8 8 GLU HA H 8 4.440 4.440 4.310 0.130 25433 6 1 . 1 1 8 8 GLU C C 8 175.693 175.693 175.943 -0.250 25433 7 1 . 1 1 8 8 GLU CA C 8 55.855 55.855 56.286 -0.431 25433 8 1 . 1 1 8 8 GLU CB C 8 31.029 31.029 30.149 0.879 25433 9 1 . 1 1 8 8 GLU H H 8 8.372 8.372 8.429 -0.057 25433 10 1 . 1 1 9 9 ASP N N 9 120.567 120.567 118.978 1.589 25433 11 1 . 1 1 9 9 ASP HA H 9 4.727 4.727 4.490 0.237 25433 12 1 . 1 1 9 9 ASP C C 9 175.618 175.618 175.584 0.034 25433 13 1 . 1 1 9 9 ASP CA C 9 54.857 54.857 55.185 -0.328 25433 14 1 . 1 1 9 9 ASP CB C 9 41.330 41.330 41.044 0.286 25433 15 1 . 1 1 9 9 ASP H H 9 8.158 8.158 7.938 0.220 25433 16 1 . 1 1 10 10 TRP N N 10 116.757 116.757 118.895 -2.138 25433 17 1 . 1 1 10 10 TRP HA H 10 5.014 5.014 4.885 0.129 25433 18 1 . 1 1 10 10 TRP C C 10 173.732 173.732 174.008 -0.276 25433 19 1 . 1 1 10 10 TRP CA C 10 54.037 54.037 55.483 -1.446 25433 20 1 . 1 1 10 10 TRP CB C 10 31.370 31.370 30.600 0.770 25433 21 1 . 1 1 10 10 TRP H H 10 8.476 8.476 8.063 0.413 25433 22 1 . 1 1 11 11 LEU N N 11 122.486 122.486 124.642 -2.156 25433 23 1 . 1 1 11 11 LEU HA H 11 4.519 4.519 4.964 -0.445 25433 24 1 . 1 1 11 11 LEU C C 11 176.547 176.547 176.624 -0.077 25433 25 1 . 1 1 11 11 LEU CA C 11 53.317 53.317 53.381 -0.064 25433 26 1 . 1 1 11 11 LEU CB C 11 43.660 43.660 42.978 0.682 25433 27 1 . 1 1 11 11 LEU H H 11 8.810 8.810 8.477 0.333 25433 28 1 . 1 1 12 12 CYS N N 12 126.739 126.739 124.421 2.318 25433 29 1 . 1 1 12 12 CYS HA H 12 4.587 4.587 4.663 -0.076 25433 30 1 . 1 1 12 12 CYS C C 12 177.636 177.636 175.799 1.837 25433 31 1 . 1 1 12 12 CYS CA C 12 59.506 59.506 59.449 0.057 25433 32 1 . 1 1 12 12 CYS CB C 12 31.330 31.330 29.529 1.801 25433 33 1 . 1 1 12 12 CYS H H 12 8.574 8.574 8.492 0.082 25433 34 1 . 1 1 13 13 ASN N N 13 127.516 127.516 122.348 5.168 25433 35 1 . 1 1 13 13 ASN HA H 13 4.534 4.534 4.752 -0.218 25433 36 1 . 1 1 13 13 ASN C C 13 175.471 175.471 175.699 -0.227 25433 37 1 . 1 1 13 13 ASN CA C 13 54.972 54.972 54.721 0.251 25433 38 1 . 1 1 13 13 ASN CB C 13 38.776 38.776 38.703 0.073 25433 39 1 . 1 1 13 13 ASN H H 13 9.229 9.229 8.927 0.302 25433 40 1 . 1 1 14 14 LYS N N 14 120.919 120.919 120.203 0.716 25433 41 1 . 1 1 14 14 LYS HA H 14 4.359 4.359 4.413 -0.054 25433 42 1 . 1 1 14 14 LYS C C 14 178.199 178.199 178.034 0.165 25433 43 1 . 1 1 14 14 LYS CA C 14 57.428 57.428 58.102 -0.674 25433 44 1 . 1 1 14 14 LYS CB C 14 32.706 32.706 33.138 -0.432 25433 45 1 . 1 1 14 14 LYS H H 14 9.274 9.274 8.209 1.065 25433 46 1 . 1 1 15 15 CYS N N 15 119.236 119.236 114.482 4.754 25433 47 1 . 1 1 15 15 CYS HA H 15 4.722 4.722 4.587 0.135 25433 48 1 . 1 1 15 15 CYS CB C 15 32.353 32.353 27.837 4.516 25433 49 1 . 1 1 15 15 CYS H H 15 9.014 9.014 8.043 0.972 25433 50 1 . 1 1 16 16 GLY N N 16 110.235 110.235 110.982 -0.747 25433 51 1 . 1 1 16 16 GLY CA C 16 46.295 46.295 45.270 1.025 25433 52 1 . 1 1 16 16 GLY H H 16 7.817 7.817 8.188 -0.371 25433 53 1 . 1 1 17 17 VAL N N 17 121.337 121.337 114.821 6.516 25433 54 1 . 1 1 17 17 VAL HA H 17 4.250 4.250 4.379 -0.129 25433 55 1 . 1 1 17 17 VAL CA C 17 61.124 61.124 60.190 0.934 25433 56 1 . 1 1 17 17 VAL CB C 17 33.392 33.392 33.679 -0.287 25433 57 1 . 1 1 17 17 VAL H H 17 8.220 8.220 7.297 0.923 25433 58 1 . 1 1 18 18 GLN N N 18 121.310 121.310 123.261 -1.951 25433 59 1 . 1 1 18 18 GLN HA H 18 4.353 4.353 4.458 -0.105 25433 60 1 . 1 1 18 18 GLN C C 18 174.823 174.823 175.132 -0.309 25433 61 1 . 1 1 18 18 GLN CA C 18 55.308 55.308 54.888 0.420 25433 62 1 . 1 1 18 18 GLN CB C 18 29.505 29.505 29.528 -0.023 25433 63 1 . 1 1 18 18 GLN H H 18 8.218 8.218 8.523 -0.305 25433 64 1 . 1 1 19 19 ASN N N 19 122.482 122.482 123.694 -1.212 25433 65 1 . 1 1 19 19 ASN HA H 19 4.490 4.490 4.795 -0.305 25433 66 1 . 1 1 19 19 ASN C C 19 173.360 173.360 174.127 -0.767 25433 67 1 . 1 1 19 19 ASN CA C 19 52.058 52.058 52.016 0.042 25433 68 1 . 1 1 19 19 ASN CB C 19 43.372 43.372 39.389 3.983 25433 69 1 . 1 1 19 19 ASN H H 19 9.041 9.041 7.942 1.099 25433 70 1 . 1 1 20 20 PHE N N 20 117.484 117.484 120.214 -2.730 25433 71 1 . 1 1 20 20 PHE HA H 20 4.658 4.658 4.602 0.056 25433 72 1 . 1 1 20 20 PHE C C 20 176.810 176.810 175.885 0.925 25433 73 1 . 1 1 20 20 PHE CA C 20 56.786 56.786 56.778 0.008 25433 74 1 . 1 1 20 20 PHE CB C 20 40.003 40.003 38.829 1.174 25433 75 1 . 1 1 20 20 PHE H H 20 7.846 7.846 8.456 -0.610 25433 76 1 . 1 1 21 21 LYS N N 21 120.464 120.464 119.766 0.698 25433 77 1 . 1 1 21 21 LYS HA H 21 4.128 4.128 3.950 0.178 25433 78 1 . 1 1 21 21 LYS C C 21 176.254 176.254 177.160 -0.906 25433 79 1 . 1 1 21 21 LYS CA C 21 58.878 58.878 58.712 0.166 25433 80 1 . 1 1 21 21 LYS CB C 21 32.334 32.334 30.944 1.390 25433 81 1 . 1 1 21 21 LYS H H 21 8.516 8.516 7.979 0.537 25433 82 1 . 1 1 22 22 ARG N N 22 112.820 112.820 118.452 -5.632 25433 83 1 . 1 1 22 22 ARG HA H 22 4.229 4.229 4.309 -0.080 25433 84 1 . 1 1 22 22 ARG C C 22 176.851 176.851 176.489 0.362 25433 85 1 . 1 1 22 22 ARG CA C 22 56.426 56.426 56.105 0.321 25433 86 1 . 1 1 22 22 ARG CB C 22 29.732 29.732 29.965 -0.233 25433 87 1 . 1 1 22 22 ARG H H 22 7.125 7.125 7.983 -0.858 25433 88 1 . 1 1 23 23 ARG N N 23 119.307 119.307 121.169 -1.862 25433 89 1 . 1 1 23 23 ARG HA H 23 4.382 4.382 4.469 -0.087 25433 90 1 . 1 1 23 23 ARG C C 23 177.143 177.143 176.873 0.270 25433 91 1 . 1 1 23 23 ARG CA C 23 57.037 57.037 55.921 1.116 25433 92 1 . 1 1 23 23 ARG CB C 23 30.944 30.944 30.040 0.904 25433 93 1 . 1 1 23 23 ARG H H 23 8.349 8.349 8.039 0.310 25433 94 1 . 1 1 24 24 GLU N N 24 120.195 120.195 123.995 -3.800 25433 95 1 . 1 1 24 24 GLU HA H 24 4.264 4.264 4.120 0.144 25433 96 1 . 1 1 24 24 GLU C C 24 176.371 176.371 176.490 -0.119 25433 97 1 . 1 1 24 24 GLU CA C 24 56.975 56.975 59.203 -2.228 25433 98 1 . 1 1 24 24 GLU CB C 24 30.819 30.819 30.250 0.569 25433 99 1 . 1 1 24 24 GLU H H 24 8.967 8.967 8.854 0.113 25433 100 1 . 1 1 25 25 LYS N N 25 116.632 116.632 116.511 0.121 25433 101 1 . 1 1 25 25 LYS HA H 25 4.906 4.906 5.123 -0.217 25433 102 1 . 1 1 25 25 LYS C C 25 174.820 174.820 176.259 -1.439 25433 103 1 . 1 1 25 25 LYS CA C 25 54.064 54.064 54.407 -0.343 25433 104 1 . 1 1 25 25 LYS CB C 25 35.743 35.743 35.825 -0.082 25433 105 1 . 1 1 25 25 LYS H H 25 7.862 7.862 7.802 0.060 25433 106 1 . 1 1 26 26 CYS N N 26 124.535 124.535 119.678 4.857 25433 107 1 . 1 1 26 26 CYS HA H 26 4.181 4.181 4.603 -0.422 25433 108 1 . 1 1 26 26 CYS C C 26 178.895 178.895 176.692 2.204 25433 109 1 . 1 1 26 26 CYS CA C 26 59.174 59.174 60.825 -1.651 25433 110 1 . 1 1 26 26 CYS CB C 26 30.942 30.942 27.818 3.124 25433 111 1 . 1 1 26 26 CYS H H 26 8.678 8.678 8.608 0.070 25433 112 1 . 1 1 27 27 PHE N N 27 129.286 129.286 123.071 6.215 25433 113 1 . 1 1 27 27 PHE HA H 27 4.350 4.350 4.350 0.000 25433 114 1 . 1 1 27 27 PHE C C 27 174.408 174.408 175.641 -1.233 25433 115 1 . 1 1 27 27 PHE CA C 27 59.726 59.726 59.980 -0.254 25433 116 1 . 1 1 27 27 PHE CB C 27 38.424 38.424 38.328 0.096 25433 117 1 . 1 1 27 27 PHE H H 27 9.344 9.344 8.956 0.388 25433 118 1 . 1 1 28 28 LYS N N 28 124.525 124.525 114.984 9.541 25433 119 1 . 1 1 28 28 LYS HA H 28 4.063 4.063 4.229 -0.166 25433 120 1 . 1 1 28 28 LYS C C 28 177.362 177.362 176.645 0.717 25433 121 1 . 1 1 28 28 LYS CA C 28 57.244 57.244 56.301 0.943 25433 122 1 . 1 1 28 28 LYS CB C 28 33.310 33.310 31.538 1.772 25433 123 1 . 1 1 28 28 LYS H H 28 8.765 8.765 7.491 1.274 25433 124 1 . 1 1 29 29 CYS N N 29 117.596 117.596 119.525 -1.929 25433 125 1 . 1 1 29 29 CYS HA H 29 4.797 4.797 4.590 0.207 25433 126 1 . 1 1 29 29 CYS C C 29 177.501 177.501 175.590 1.911 25433 127 1 . 1 1 29 29 CYS CA C 29 58.921 58.921 59.179 -0.258 25433 128 1 . 1 1 29 29 CYS CB C 29 32.088 32.088 27.018 5.070 25433 129 1 . 1 1 29 29 CYS H H 29 8.357 8.357 8.203 0.154 25433 130 1 . 1 1 30 30 GLY N N 30 110.623 110.623 108.968 1.655 25433 131 1 . 1 1 30 30 GLY CA C 30 46.135 46.135 45.475 0.659 25433 132 1 . 1 1 30 30 GLY H H 30 7.519 7.519 7.843 -0.324 25433 133 1 . 1 1 31 31 VAL N N 31 122.592 122.592 120.703 1.889 25433 134 1 . 1 1 31 31 VAL HA H 31 4.348 4.348 4.328 0.020 25433 135 1 . 1 1 31 31 VAL CA C 31 61.591 61.591 59.166 2.425 25433 136 1 . 1 1 31 31 VAL CB C 31 32.238 32.238 33.350 -1.111 25433 137 1 . 1 1 31 31 VAL H H 31 8.120 8.120 7.867 0.253 25433 138 1 . 1 1 32 32 PRO HA H 32 4.650 4.650 4.545 0.105 25433 139 1 . 1 1 32 32 PRO C C 32 176.413 176.413 177.277 -0.864 25433 140 1 . 1 1 32 32 PRO CA C 32 62.772 62.772 62.607 0.165 25433 141 1 . 1 1 32 32 PRO CB C 32 32.650 32.650 32.311 0.339 25433 142 1 . 1 1 33 33 LYS N N 33 122.957 122.957 124.163 -1.206 25433 143 1 . 1 1 33 33 LYS HA H 33 3.109 3.109 2.819 0.290 25433 144 1 . 1 1 33 33 LYS C C 33 176.726 176.726 177.810 -1.084 25433 145 1 . 1 1 33 33 LYS CA C 33 58.359 58.359 59.087 -0.728 25433 146 1 . 1 1 33 33 LYS CB C 33 32.700 32.700 31.588 1.112 25433 147 1 . 1 1 33 33 LYS H H 33 7.956 7.956 8.325 -0.369 25433 148 1 . 1 1 34 34 SER N N 34 112.323 112.323 112.781 -0.458 25433 149 1 . 1 1 34 34 SER HA H 34 4.138 4.138 4.153 -0.015 25433 150 1 . 1 1 34 34 SER C C 34 175.141 175.141 175.531 -0.390 25433 151 1 . 1 1 34 34 SER CA C 34 59.160 59.160 60.993 -1.833 25433 152 1 . 1 1 34 34 SER CB C 34 62.820 62.820 62.770 0.050 25433 153 1 . 1 1 34 34 SER H H 34 8.139 8.139 8.303 -0.164 25433 154 1 . 1 1 35 35 GLU N N 35 120.171 120.171 119.133 1.038 25433 155 1 . 1 1 35 35 GLU HA H 35 4.251 4.251 4.327 -0.076 25433 156 1 . 1 1 35 35 GLU C C 35 176.796 176.796 176.199 0.597 25433 157 1 . 1 1 35 35 GLU CA C 35 56.589 56.589 56.512 0.077 25433 158 1 . 1 1 35 35 GLU CB C 35 30.584 30.584 30.011 0.573 25433 159 1 . 1 1 35 35 GLU H H 35 7.750 7.750 7.508 0.242 25433 160 1 . 1 1 36 36 ALA N N 36 122.364 122.364 121.901 0.463 25433 161 1 . 1 1 36 36 ALA HA H 36 4.272 4.272 4.404 -0.132 25433 162 1 . 1 1 36 36 ALA C C 36 177.942 177.942 177.454 0.488 25433 163 1 . 1 1 36 36 ALA CA C 36 52.881 52.881 52.582 0.299 25433 164 1 . 1 1 36 36 ALA CB C 36 20.587 20.587 20.110 0.477 25433 165 1 . 1 1 36 36 ALA H H 36 8.216 8.216 7.254 0.962 25433 166 1 . 1 1 37 37 GLU N N 37 117.040 117.040 118.914 -1.874 25433 167 1 . 1 1 37 37 GLU HA H 37 4.353 4.353 4.283 0.070 25433 168 1 . 1 1 37 37 GLU C C 37 176.592 176.592 176.007 0.585 25433 169 1 . 1 1 37 37 GLU CA C 37 56.475 56.475 55.889 0.586 25433 170 1 . 1 1 37 37 GLU CB C 37 30.170 30.170 29.923 0.247 25433 171 1 . 1 1 37 37 GLU H H 37 8.161 8.161 8.030 0.131 25433 172 1 . 1 1 38 38 GLN N N 38 120.895 120.895 121.294 -0.399 25433 173 1 . 1 1 38 38 GLN HA H 38 4.254 4.254 4.238 0.016 25433 174 1 . 1 1 38 38 GLN C C 38 175.615 175.615 175.568 0.047 25433 175 1 . 1 1 38 38 GLN CA C 38 55.689 55.689 56.066 -0.377 25433 176 1 . 1 1 38 38 GLN CB C 38 29.560 29.560 28.724 0.836 25433 177 1 . 1 1 38 38 GLN H H 38 8.262 8.262 8.376 -0.114 25433 178 1 . 1 1 39 39 LYS N N 39 122.996 122.996 123.624 -0.628 25433 179 1 . 1 1 39 39 LYS HA H 39 4.296 4.296 4.308 -0.012 25433 180 1 . 1 1 39 39 LYS C C 39 176.240 176.240 175.825 0.415 25433 181 1 . 1 1 39 39 LYS CA C 39 55.795 55.795 55.911 -0.116 25433 182 1 . 1 1 39 39 LYS CB C 39 32.981 32.981 32.817 0.164 25433 183 1 . 1 1 39 39 LYS H H 39 8.416 8.416 8.291 0.125 25433 184 1 . 1 1 40 40 LEU N N 40 123.709 123.709 124.194 -0.485 25433 185 1 . 1 1 40 40 LEU HA H 40 4.575 4.575 4.490 0.085 25433 186 1 . 1 1 40 40 LEU CA C 40 52.786 52.786 53.227 -0.441 25433 187 1 . 1 1 40 40 LEU CB C 40 41.468 41.468 41.612 -0.144 25433 188 1 . 1 1 40 40 LEU H H 40 8.292 8.292 8.294 -0.002 25433 189 1 . 1 1 41 41 PRO HA H 41 4.348 4.348 4.410 -0.062 25433 190 1 . 1 1 41 41 PRO CA C 41 61.562 61.562 63.437 -1.875 25433 191 1 . 1 1 41 41 PRO CB C 41 32.340 32.340 31.447 0.893 25433 stop_ save_