data_25302 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25302 _Entry.PDB_ID 2MW7 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 25302 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 2 109.171 109.171 111.265 -2.094 25302 2 1 1 . 1 1 2 2 GLY C C 2 173.848 173.848 174.368 -0.520 25302 3 1 1 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.789 -0.610 25302 4 1 1 . 1 1 2 2 GLY H H 2 8.599 8.599 8.663 -0.064 25302 5 1 1 . 1 1 3 3 GLU N N 3 120.814 120.814 118.494 2.320 25302 6 1 1 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.812 -0.697 25302 7 1 1 . 1 1 3 3 GLU C C 3 175.221 175.221 175.095 0.126 25302 8 1 1 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.091 2.057 25302 9 1 1 . 1 1 3 3 GLU CB C 3 29.301 29.301 32.432 -3.131 25302 10 1 1 . 1 1 3 3 GLU H H 3 8.477 8.477 7.892 0.585 25302 11 1 1 . 1 1 4 4 CYS N N 4 115.823 115.823 115.792 0.031 25302 12 1 1 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.146 -0.240 25302 13 1 1 . 1 1 4 4 CYS C C 4 174.789 174.789 174.707 0.082 25302 14 1 1 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.742 -3.619 25302 15 1 1 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.656 16.934 25302 16 1 1 . 1 1 4 4 CYS H H 4 8.050 8.050 8.523 -0.473 25302 17 1 1 . 1 1 5 5 GLY N N 5 105.602 105.602 112.610 -7.008 25302 18 1 1 . 1 1 5 5 GLY C C 5 173.331 173.331 173.317 0.014 25302 19 1 1 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.403 2.286 25302 20 1 1 . 1 1 5 5 GLY H H 5 8.272 8.272 8.614 -0.342 25302 21 1 1 . 1 1 6 6 ASP N N 6 119.525 119.525 119.218 0.307 25302 22 1 1 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.929 0.247 25302 23 1 1 . 1 1 6 6 ASP C C 6 174.303 174.303 175.325 -1.022 25302 24 1 1 . 1 1 6 6 ASP CA C 6 51.824 51.824 53.135 -1.310 25302 25 1 1 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.931 -1.478 25302 26 1 1 . 1 1 6 6 ASP H H 6 7.399 7.399 7.985 -0.586 25302 27 1 1 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.437 -1.047 25302 28 1 1 . 1 1 7 7 LYS C C 7 176.491 176.491 176.027 0.464 25302 29 1 1 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.184 0.724 25302 30 1 1 . 1 1 7 7 LYS CB C 7 31.315 31.315 30.974 0.341 25302 31 1 1 . 1 1 8 8 ASP N N 8 118.123 118.123 119.294 -1.171 25302 32 1 1 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.102 -0.129 25302 33 1 1 . 1 1 8 8 ASP C C 8 174.603 174.603 175.039 -0.436 25302 34 1 1 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.611 0.989 25302 35 1 1 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.791 -0.665 25302 36 1 1 . 1 1 8 8 ASP H H 8 8.763 8.763 8.245 0.518 25302 37 1 1 . 1 1 9 9 GLU N N 9 119.080 119.080 119.593 -0.513 25302 38 1 1 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.774 -0.307 25302 39 1 1 . 1 1 9 9 GLU C C 9 172.723 172.723 174.248 -1.525 25302 40 1 1 . 1 1 9 9 GLU CA C 9 53.456 53.456 53.269 0.187 25302 41 1 1 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.463 -3.954 25302 42 1 1 . 1 1 9 9 GLU H H 9 7.842 7.842 7.707 0.135 25302 43 1 1 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.671 0.217 25302 44 1 1 . 1 1 10 10 PRO C C 10 175.963 175.963 176.374 -0.411 25302 45 1 1 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.832 -0.708 25302 46 1 1 . 1 1 10 10 PRO CB C 10 32.371 32.371 32.023 0.348 25302 47 1 1 . 1 1 11 11 CYS N N 11 117.256 117.256 118.267 -1.011 25302 48 1 1 . 1 1 11 11 CYS HA H 11 4.394 4.394 5.003 -0.609 25302 49 1 1 . 1 1 11 11 CYS C C 11 175.560 175.560 176.162 -0.602 25302 50 1 1 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.432 -0.990 25302 51 1 1 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.613 13.058 25302 52 1 1 . 1 1 11 11 CYS H H 11 7.440 7.440 8.077 -0.637 25302 53 1 1 . 1 1 12 12 CYS N N 12 122.475 122.475 122.235 0.240 25302 54 1 1 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.876 -0.248 25302 55 1 1 . 1 1 12 12 CYS C C 12 174.330 174.330 175.875 -1.545 25302 56 1 1 . 1 1 12 12 CYS CA C 12 53.235 53.235 56.504 -3.269 25302 57 1 1 . 1 1 12 12 CYS CB C 12 40.251 40.251 26.421 13.830 25302 58 1 1 . 1 1 12 12 CYS H H 12 9.249 9.249 8.719 0.530 25302 59 1 1 . 1 1 13 13 GLY N N 13 110.237 110.237 113.412 -3.175 25302 60 1 1 . 1 1 13 13 GLY C C 13 173.730 173.730 173.929 -0.199 25302 61 1 1 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.925 -0.150 25302 62 1 1 . 1 1 13 13 GLY H H 13 8.676 8.676 8.495 0.181 25302 63 1 1 . 1 1 14 14 ARG N N 14 123.065 123.065 125.325 -2.260 25302 64 1 1 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.602 0.067 25302 65 1 1 . 1 1 14 14 ARG C C 14 176.773 176.773 176.746 0.027 25302 66 1 1 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.133 -0.492 25302 67 1 1 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.772 1.959 25302 68 1 1 . 1 1 14 14 ARG H H 14 8.255 8.255 7.860 0.395 25302 69 1 1 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.209 0.014 25302 70 1 1 . 1 1 15 15 PRO C C 15 176.628 176.628 177.013 -0.385 25302 71 1 1 . 1 1 15 15 PRO CA C 15 65.242 65.242 65.153 0.089 25302 72 1 1 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.571 0.155 25302 73 1 1 . 1 1 16 16 ASP N N 16 113.958 113.958 114.545 -0.587 25302 74 1 1 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.514 -0.140 25302 75 1 1 . 1 1 16 16 ASP C C 16 176.667 176.667 177.249 -0.582 25302 76 1 1 . 1 1 16 16 ASP CA C 16 53.356 53.356 53.790 -0.434 25302 77 1 1 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.288 -0.730 25302 78 1 1 . 1 1 16 16 ASP H H 16 7.732 7.732 8.185 -0.453 25302 79 1 1 . 1 1 17 17 GLY N N 17 108.298 108.298 107.130 1.168 25302 80 1 1 . 1 1 17 17 GLY C C 17 174.120 174.120 174.331 -0.211 25302 81 1 1 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.746 -0.145 25302 82 1 1 . 1 1 17 17 GLY H H 17 8.123 8.123 7.829 0.294 25302 83 1 1 . 1 1 18 18 ALA N N 18 123.792 123.792 125.517 -1.725 25302 84 1 1 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.336 -0.186 25302 85 1 1 . 1 1 18 18 ALA C C 18 176.098 176.098 177.223 -1.125 25302 86 1 1 . 1 1 18 18 ALA CA C 18 52.340 52.340 52.152 0.188 25302 87 1 1 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.518 -0.292 25302 88 1 1 . 1 1 18 18 ALA H H 18 7.572 7.572 7.714 -0.142 25302 89 1 1 . 1 1 19 19 LYS N N 19 119.628 119.628 124.351 -4.723 25302 90 1 1 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.195 0.856 25302 91 1 1 . 1 1 19 19 LYS C C 19 176.655 176.655 175.789 0.866 25302 92 1 1 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.831 -1.327 25302 93 1 1 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.777 3.038 25302 94 1 1 . 1 1 19 19 LYS H H 19 7.970 7.970 8.445 -0.475 25302 95 1 1 . 1 1 20 20 VAL N N 20 116.531 116.531 125.479 -8.948 25302 96 1 1 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.043 0.574 25302 97 1 1 . 1 1 20 20 VAL C C 20 174.216 174.216 175.074 -0.858 25302 98 1 1 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.569 -2.510 25302 99 1 1 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.147 5.415 25302 100 1 1 . 1 1 20 20 VAL H H 20 8.757 8.757 8.049 0.708 25302 101 1 1 . 1 1 21 21 CYS N N 21 119.357 119.357 125.901 -6.544 25302 102 1 1 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.836 0.016 25302 103 1 1 . 1 1 21 21 CYS C C 21 172.912 172.912 174.021 -1.109 25302 104 1 1 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.881 -2.870 25302 105 1 1 . 1 1 21 21 CYS CB C 21 46.324 46.324 31.213 15.111 25302 106 1 1 . 1 1 21 21 CYS H H 21 8.386 8.386 8.583 -0.197 25302 107 1 1 . 1 1 22 22 ASN N N 22 121.561 121.561 121.283 0.278 25302 108 1 1 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.778 -0.265 25302 109 1 1 . 1 1 22 22 ASN C C 22 174.084 174.084 174.563 -0.479 25302 110 1 1 . 1 1 22 22 ASN CA C 22 52.542 52.542 53.008 -0.466 25302 111 1 1 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.570 -1.627 25302 112 1 1 . 1 1 22 22 ASN H H 22 9.693 9.693 8.877 0.816 25302 113 1 1 . 1 1 23 23 ASP N N 23 121.712 121.712 119.571 2.141 25302 114 1 1 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.633 -0.324 25302 115 1 1 . 1 1 23 23 ASP C C 23 174.448 174.448 175.550 -1.102 25302 116 1 1 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.492 0.838 25302 117 1 1 . 1 1 23 23 ASP CB C 23 40.200 40.200 40.677 -0.477 25302 118 1 1 . 1 1 23 23 ASP H H 23 8.321 8.321 8.512 -0.191 25302 119 1 1 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.511 -0.146 25302 120 1 1 . 1 1 24 24 PRO C C 24 174.513 174.513 175.760 -1.247 25302 121 1 1 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.235 1.390 25302 122 1 1 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.955 0.912 25302 123 1 1 . 1 1 25 25 TRP N N 25 125.765 125.765 120.342 5.423 25302 124 1 1 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.600 0.110 25302 125 1 1 . 1 1 25 25 TRP C C 25 174.307 174.307 176.519 -2.212 25302 126 1 1 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.998 -0.265 25302 127 1 1 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.704 0.347 25302 128 1 1 . 1 1 25 25 TRP H H 25 8.334 8.334 7.253 1.081 25302 129 1 1 . 1 1 26 26 VAL N N 26 114.147 114.147 123.275 -9.128 25302 130 1 1 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.441 -0.070 25302 131 1 1 . 1 1 26 26 VAL C C 26 174.295 174.295 175.240 -0.945 25302 132 1 1 . 1 1 26 26 VAL CA C 26 59.163 59.163 60.735 -1.572 25302 133 1 1 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.277 0.001 25302 134 1 1 . 1 1 26 26 VAL H H 26 8.952 8.952 9.036 -0.084 25302 135 1 1 . 1 1 27 27 CYS N N 27 122.366 122.366 128.669 -6.303 25302 136 1 1 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.770 -0.405 25302 137 1 1 . 1 1 27 27 CYS C C 27 174.268 174.268 175.319 -1.051 25302 138 1 1 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.183 -1.527 25302 139 1 1 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.325 13.542 25302 140 1 1 . 1 1 27 27 CYS H H 27 8.747 8.747 8.946 -0.199 25302 141 1 1 . 1 1 28 28 ILE N N 28 133.803 133.803 129.522 4.281 25302 142 1 1 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.195 -0.063 25302 143 1 1 . 1 1 28 28 ILE C C 28 177.492 177.492 177.098 0.394 25302 144 1 1 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.534 -2.039 25302 145 1 1 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.145 -3.627 25302 146 1 1 . 1 1 28 28 ILE H H 28 8.763 8.763 8.012 0.751 25302 147 1 1 . 1 1 29 29 LEU N N 29 128.360 128.360 127.790 0.570 25302 148 1 1 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.143 -0.276 25302 149 1 1 . 1 1 29 29 LEU C C 29 179.282 179.282 178.370 0.912 25302 150 1 1 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.970 0.074 25302 151 1 1 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.702 0.520 25302 152 1 1 . 1 1 29 29 LEU H H 29 8.452 8.452 8.723 -0.271 25302 153 1 1 . 1 1 30 30 THR N N 30 108.140 108.140 114.794 -6.654 25302 154 1 1 . 1 1 30 30 THR HA H 30 3.929 3.929 4.139 -0.210 25302 155 1 1 . 1 1 30 30 THR C C 30 175.393 175.393 175.964 -0.571 25302 156 1 1 . 1 1 30 30 THR CA C 30 64.119 64.119 64.741 -0.622 25302 157 1 1 . 1 1 30 30 THR CB C 30 67.994 67.994 68.692 -0.698 25302 158 1 1 . 1 1 30 30 THR H H 30 7.589 7.589 8.236 -0.647 25302 159 1 1 . 1 1 31 31 SER N N 31 112.240 112.240 117.014 -4.774 25302 160 1 1 . 1 1 31 31 SER HA H 31 4.446 4.446 4.351 0.095 25302 161 1 1 . 1 1 31 31 SER C C 31 174.912 174.912 174.762 0.150 25302 162 1 1 . 1 1 31 31 SER CA C 31 56.859 56.859 58.766 -1.907 25302 163 1 1 . 1 1 31 31 SER CB C 31 64.760 64.760 63.151 1.609 25302 164 1 1 . 1 1 31 31 SER H H 31 7.002 7.002 7.901 -0.899 25302 165 1 1 . 1 1 32 32 SER N N 32 118.529 118.529 113.514 5.015 25302 166 1 1 . 1 1 32 32 SER HA H 32 3.604 3.604 4.081 -0.477 25302 167 1 1 . 1 1 32 32 SER C C 32 174.998 174.998 173.254 1.744 25302 168 1 1 . 1 1 32 32 SER CA C 32 59.523 59.523 59.777 -0.254 25302 169 1 1 . 1 1 32 32 SER CB C 32 62.111 62.111 61.152 0.959 25302 170 1 1 . 1 1 32 32 SER H H 32 8.558 8.558 8.280 0.278 25302 171 1 1 . 1 1 33 33 ARG N N 33 117.830 117.830 115.699 2.131 25302 172 1 1 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.889 -0.065 25302 173 1 1 . 1 1 33 33 ARG C C 33 175.115 175.115 176.496 -1.381 25302 174 1 1 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.668 -0.248 25302 175 1 1 . 1 1 33 33 ARG CB C 33 34.536 34.536 32.950 1.586 25302 176 1 1 . 1 1 33 33 ARG H H 33 7.215 7.215 7.379 -0.164 25302 177 1 1 . 1 1 34 34 CYS N N 34 120.813 120.813 123.906 -3.093 25302 178 1 1 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.657 0.403 25302 179 1 1 . 1 1 34 34 CYS C C 34 175.041 175.041 174.494 0.547 25302 180 1 1 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.899 -6.204 25302 181 1 1 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.498 16.611 25302 182 1 1 . 1 1 34 34 CYS H H 34 8.284 8.284 8.721 -0.437 25302 183 1 1 . 1 1 35 35 GLU N N 35 123.396 123.396 125.198 -1.802 25302 184 1 1 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.447 0.308 25302 185 1 1 . 1 1 35 35 GLU C C 35 175.069 175.069 174.651 0.418 25302 186 1 1 . 1 1 35 35 GLU CA C 35 54.341 54.341 53.825 0.516 25302 187 1 1 . 1 1 35 35 GLU CB C 35 33.163 33.163 32.044 1.119 25302 188 1 1 . 1 1 35 35 GLU H H 35 9.226 9.226 8.589 0.637 25302 189 1 1 . 1 1 36 36 ASN N N 36 118.081 118.081 116.898 1.183 25302 190 1 1 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.123 -0.034 25302 191 1 1 . 1 1 36 36 ASN C C 36 172.567 172.567 174.247 -1.680 25302 192 1 1 . 1 1 36 36 ASN CA C 36 52.454 52.454 51.874 0.580 25302 193 1 1 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.873 0.525 25302 194 1 1 . 1 1 36 36 ASN H H 36 8.540 8.540 8.695 -0.155 25302 195 1 2 . 1 1 2 2 GLY N N 2 109.171 109.171 111.578 -2.407 25302 196 1 2 . 1 1 2 2 GLY C C 2 173.848 173.848 174.653 -0.805 25302 197 1 2 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.048 0.131 25302 198 1 2 . 1 1 2 2 GLY H H 2 8.599 8.599 8.648 -0.049 25302 199 1 2 . 1 1 3 3 GLU N N 3 120.814 120.814 120.088 0.726 25302 200 1 2 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.623 -0.508 25302 201 1 2 . 1 1 3 3 GLU C C 3 175.221 175.221 175.226 -0.005 25302 202 1 2 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.570 1.578 25302 203 1 2 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.381 -2.080 25302 204 1 2 . 1 1 3 3 GLU H H 3 8.477 8.477 8.284 0.193 25302 205 1 2 . 1 1 4 4 CYS N N 4 115.823 115.823 114.937 0.886 25302 206 1 2 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.360 -0.454 25302 207 1 2 . 1 1 4 4 CYS C C 4 174.789 174.789 175.280 -0.491 25302 208 1 2 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.017 -2.894 25302 209 1 2 . 1 1 4 4 CYS CB C 4 46.590 46.590 30.245 16.345 25302 210 1 2 . 1 1 4 4 CYS H H 4 8.050 8.050 8.256 -0.206 25302 211 1 2 . 1 1 5 5 GLY N N 5 105.602 105.602 112.226 -6.624 25302 212 1 2 . 1 1 5 5 GLY C C 5 173.331 173.331 173.420 -0.089 25302 213 1 2 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.412 2.277 25302 214 1 2 . 1 1 5 5 GLY H H 5 8.272 8.272 8.811 -0.539 25302 215 1 2 . 1 1 6 6 ASP N N 6 119.525 119.525 119.409 0.116 25302 216 1 2 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.880 0.296 25302 217 1 2 . 1 1 6 6 ASP C C 6 174.303 174.303 175.162 -0.859 25302 218 1 2 . 1 1 6 6 ASP CA C 6 51.824 51.824 53.176 -1.352 25302 219 1 2 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.505 -1.052 25302 220 1 2 . 1 1 6 6 ASP H H 6 7.399 7.399 8.039 -0.640 25302 221 1 2 . 1 1 7 7 LYS HA H 7 2.390 2.390 4.027 -1.637 25302 222 1 2 . 1 1 7 7 LYS C C 7 176.491 176.491 176.365 0.126 25302 223 1 2 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.487 0.421 25302 224 1 2 . 1 1 7 7 LYS CB C 7 31.315 31.315 32.107 -0.792 25302 225 1 2 . 1 1 8 8 ASP N N 8 118.123 118.123 120.319 -2.196 25302 226 1 2 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.141 -0.168 25302 227 1 2 . 1 1 8 8 ASP C C 8 174.603 174.603 175.114 -0.511 25302 228 1 2 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.564 1.036 25302 229 1 2 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.538 -0.412 25302 230 1 2 . 1 1 8 8 ASP H H 8 8.763 8.763 8.426 0.337 25302 231 1 2 . 1 1 9 9 GLU N N 9 119.080 119.080 118.293 0.787 25302 232 1 2 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.770 -0.303 25302 233 1 2 . 1 1 9 9 GLU C C 9 172.723 172.723 174.066 -1.343 25302 234 1 2 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.624 0.832 25302 235 1 2 . 1 1 9 9 GLU CB C 9 27.509 27.509 32.504 -4.995 25302 236 1 2 . 1 1 9 9 GLU H H 9 7.842 7.842 7.565 0.277 25302 237 1 2 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.720 0.168 25302 238 1 2 . 1 1 10 10 PRO C C 10 175.963 175.963 176.859 -0.896 25302 239 1 2 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.761 -0.637 25302 240 1 2 . 1 1 10 10 PRO CB C 10 32.371 32.371 32.084 0.287 25302 241 1 2 . 1 1 11 11 CYS N N 11 117.256 117.256 117.686 -0.430 25302 242 1 2 . 1 1 11 11 CYS HA H 11 4.394 4.394 5.073 -0.679 25302 243 1 2 . 1 1 11 11 CYS C C 11 175.560 175.560 176.424 -0.864 25302 244 1 2 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.295 -0.853 25302 245 1 2 . 1 1 11 11 CYS CB C 11 40.671 40.671 28.039 12.632 25302 246 1 2 . 1 1 11 11 CYS H H 11 7.440 7.440 7.990 -0.550 25302 247 1 2 . 1 1 12 12 CYS N N 12 122.475 122.475 121.969 0.506 25302 248 1 2 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.728 -0.100 25302 249 1 2 . 1 1 12 12 CYS C C 12 174.330 174.330 176.010 -1.680 25302 250 1 2 . 1 1 12 12 CYS CA C 12 53.235 53.235 56.585 -3.350 25302 251 1 2 . 1 1 12 12 CYS CB C 12 40.251 40.251 25.419 14.832 25302 252 1 2 . 1 1 12 12 CYS H H 12 9.249 9.249 8.830 0.419 25302 253 1 2 . 1 1 13 13 GLY N N 13 110.237 110.237 112.496 -2.259 25302 254 1 2 . 1 1 13 13 GLY C C 13 173.730 173.730 173.852 -0.122 25302 255 1 2 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.810 -0.035 25302 256 1 2 . 1 1 13 13 GLY H H 13 8.676 8.676 8.075 0.601 25302 257 1 2 . 1 1 14 14 ARG N N 14 123.065 123.065 126.161 -3.096 25302 258 1 2 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.463 0.206 25302 259 1 2 . 1 1 14 14 ARG C C 14 176.773 176.773 177.063 -0.290 25302 260 1 2 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.381 -0.740 25302 261 1 2 . 1 1 14 14 ARG CB C 14 31.731 31.731 30.059 1.672 25302 262 1 2 . 1 1 14 14 ARG H H 14 8.255 8.255 7.795 0.460 25302 263 1 2 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.314 -0.091 25302 264 1 2 . 1 1 15 15 PRO C C 15 176.628 176.628 176.750 -0.122 25302 265 1 2 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.951 0.291 25302 266 1 2 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.489 0.237 25302 267 1 2 . 1 1 16 16 ASP N N 16 113.958 113.958 115.928 -1.970 25302 268 1 2 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.504 -0.130 25302 269 1 2 . 1 1 16 16 ASP C C 16 176.667 176.667 177.170 -0.503 25302 270 1 2 . 1 1 16 16 ASP CA C 16 53.356 53.356 53.704 -0.348 25302 271 1 2 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.605 -1.047 25302 272 1 2 . 1 1 16 16 ASP H H 16 7.732 7.732 8.048 -0.316 25302 273 1 2 . 1 1 17 17 GLY N N 17 108.298 108.298 106.406 1.892 25302 274 1 2 . 1 1 17 17 GLY C C 17 174.120 174.120 174.081 0.039 25302 275 1 2 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.636 -0.035 25302 276 1 2 . 1 1 17 17 GLY H H 17 8.123 8.123 7.836 0.287 25302 277 1 2 . 1 1 18 18 ALA N N 18 123.792 123.792 125.294 -1.502 25302 278 1 2 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.316 -0.166 25302 279 1 2 . 1 1 18 18 ALA C C 18 176.098 176.098 177.223 -1.125 25302 280 1 2 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.647 0.694 25302 281 1 2 . 1 1 18 18 ALA CB C 18 19.226 19.226 18.633 0.593 25302 282 1 2 . 1 1 18 18 ALA H H 18 7.572 7.572 7.752 -0.180 25302 283 1 2 . 1 1 19 19 LYS N N 19 119.628 119.628 126.602 -6.974 25302 284 1 2 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.220 0.831 25302 285 1 2 . 1 1 19 19 LYS C C 19 176.655 176.655 175.560 1.095 25302 286 1 2 . 1 1 19 19 LYS CA C 19 54.505 54.505 56.149 -1.644 25302 287 1 2 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.178 3.637 25302 288 1 2 . 1 1 19 19 LYS H H 19 7.970 7.970 8.283 -0.313 25302 289 1 2 . 1 1 20 20 VAL N N 20 116.531 116.531 126.956 -10.425 25302 290 1 2 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.007 0.610 25302 291 1 2 . 1 1 20 20 VAL C C 20 174.216 174.216 174.890 -0.674 25302 292 1 2 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.835 -2.776 25302 293 1 2 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.671 4.891 25302 294 1 2 . 1 1 20 20 VAL H H 20 8.757 8.757 7.913 0.844 25302 295 1 2 . 1 1 21 21 CYS N N 21 119.357 119.357 124.822 -5.465 25302 296 1 2 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.720 0.132 25302 297 1 2 . 1 1 21 21 CYS C C 21 172.912 172.912 173.456 -0.544 25302 298 1 2 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.772 -2.761 25302 299 1 2 . 1 1 21 21 CYS CB C 21 46.324 46.324 31.310 15.014 25302 300 1 2 . 1 1 21 21 CYS H H 21 8.386 8.386 8.439 -0.053 25302 301 1 2 . 1 1 22 22 ASN N N 22 121.561 121.561 120.782 0.779 25302 302 1 2 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.830 -0.317 25302 303 1 2 . 1 1 22 22 ASN C C 22 174.084 174.084 174.703 -0.619 25302 304 1 2 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.854 -0.312 25302 305 1 2 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.776 -1.833 25302 306 1 2 . 1 1 22 22 ASN H H 22 9.693 9.693 8.939 0.754 25302 307 1 2 . 1 1 23 23 ASP N N 23 121.712 121.712 120.406 1.306 25302 308 1 2 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.550 -0.241 25302 309 1 2 . 1 1 23 23 ASP C C 23 174.448 174.448 175.276 -0.828 25302 310 1 2 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.455 0.875 25302 311 1 2 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.081 -0.881 25302 312 1 2 . 1 1 23 23 ASP H H 23 8.321 8.321 8.509 -0.188 25302 313 1 2 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.340 0.025 25302 314 1 2 . 1 1 24 24 PRO C C 24 174.513 174.513 175.902 -1.389 25302 315 1 2 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.425 1.200 25302 316 1 2 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.689 1.178 25302 317 1 2 . 1 1 25 25 TRP N N 25 125.765 125.765 120.667 5.098 25302 318 1 2 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.699 0.011 25302 319 1 2 . 1 1 25 25 TRP C C 25 174.307 174.307 176.490 -2.183 25302 320 1 2 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.625 0.108 25302 321 1 2 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.170 0.881 25302 322 1 2 . 1 1 25 25 TRP H H 25 8.334 8.334 7.003 1.331 25302 323 1 2 . 1 1 26 26 VAL N N 26 114.147 114.147 123.310 -9.163 25302 324 1 2 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.341 0.030 25302 325 1 2 . 1 1 26 26 VAL C C 26 174.295 174.295 175.748 -1.453 25302 326 1 2 . 1 1 26 26 VAL CA C 26 59.163 59.163 60.998 -1.835 25302 327 1 2 . 1 1 26 26 VAL CB C 26 35.278 35.278 34.491 0.787 25302 328 1 2 . 1 1 26 26 VAL H H 26 8.952 8.952 8.817 0.135 25302 329 1 2 . 1 1 27 27 CYS N N 27 122.366 122.366 128.624 -6.258 25302 330 1 2 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.588 -0.223 25302 331 1 2 . 1 1 27 27 CYS C C 27 174.268 174.268 175.306 -1.038 25302 332 1 2 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.373 -1.717 25302 333 1 2 . 1 1 27 27 CYS CB C 27 39.867 39.867 25.789 14.078 25302 334 1 2 . 1 1 27 27 CYS H H 27 8.747 8.747 9.027 -0.280 25302 335 1 2 . 1 1 28 28 ILE N N 28 133.803 133.803 130.768 3.035 25302 336 1 2 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.249 -0.117 25302 337 1 2 . 1 1 28 28 ILE C C 28 177.492 177.492 176.641 0.851 25302 338 1 2 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.548 -2.053 25302 339 1 2 . 1 1 28 28 ILE CB C 28 34.518 34.518 36.776 -2.258 25302 340 1 2 . 1 1 28 28 ILE H H 28 8.763 8.763 8.780 -0.017 25302 341 1 2 . 1 1 29 29 LEU N N 29 128.360 128.360 129.910 -1.550 25302 342 1 2 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.173 -0.306 25302 343 1 2 . 1 1 29 29 LEU C C 29 179.282 179.282 178.382 0.900 25302 344 1 2 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.677 0.367 25302 345 1 2 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.399 0.823 25302 346 1 2 . 1 1 29 29 LEU H H 29 8.452 8.452 8.844 -0.392 25302 347 1 2 . 1 1 30 30 THR N N 30 108.140 108.140 111.535 -3.395 25302 348 1 2 . 1 1 30 30 THR HA H 30 3.929 3.929 4.127 -0.198 25302 349 1 2 . 1 1 30 30 THR C C 30 175.393 175.393 175.446 -0.053 25302 350 1 2 . 1 1 30 30 THR CA C 30 64.119 64.119 64.385 -0.266 25302 351 1 2 . 1 1 30 30 THR CB C 30 67.994 67.994 68.792 -0.798 25302 352 1 2 . 1 1 30 30 THR H H 30 7.589 7.589 8.252 -0.663 25302 353 1 2 . 1 1 31 31 SER N N 31 112.240 112.240 115.743 -3.503 25302 354 1 2 . 1 1 31 31 SER HA H 31 4.446 4.446 4.591 -0.145 25302 355 1 2 . 1 1 31 31 SER C C 31 174.912 174.912 174.597 0.315 25302 356 1 2 . 1 1 31 31 SER CA C 31 56.859 56.859 58.176 -1.317 25302 357 1 2 . 1 1 31 31 SER CB C 31 64.760 64.760 64.093 0.667 25302 358 1 2 . 1 1 31 31 SER H H 31 7.002 7.002 7.650 -0.648 25302 359 1 2 . 1 1 32 32 SER N N 32 118.529 118.529 114.649 3.880 25302 360 1 2 . 1 1 32 32 SER HA H 32 3.604 3.604 4.034 -0.430 25302 361 1 2 . 1 1 32 32 SER C C 32 174.998 174.998 173.117 1.881 25302 362 1 2 . 1 1 32 32 SER CA C 32 59.523 59.523 59.991 -0.468 25302 363 1 2 . 1 1 32 32 SER CB C 32 62.111 62.111 61.300 0.812 25302 364 1 2 . 1 1 32 32 SER H H 32 8.558 8.558 8.043 0.515 25302 365 1 2 . 1 1 33 33 ARG N N 33 117.830 117.830 114.822 3.008 25302 366 1 2 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.886 -0.062 25302 367 1 2 . 1 1 33 33 ARG C C 33 175.115 175.115 175.338 -0.223 25302 368 1 2 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.525 -0.105 25302 369 1 2 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.368 1.168 25302 370 1 2 . 1 1 33 33 ARG H H 33 7.215 7.215 7.471 -0.256 25302 371 1 2 . 1 1 34 34 CYS N N 34 120.813 120.813 122.580 -1.767 25302 372 1 2 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.722 0.338 25302 373 1 2 . 1 1 34 34 CYS C C 34 175.041 175.041 174.675 0.366 25302 374 1 2 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.733 -6.038 25302 375 1 2 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.911 16.198 25302 376 1 2 . 1 1 34 34 CYS H H 34 8.284 8.284 8.696 -0.412 25302 377 1 2 . 1 1 35 35 GLU N N 35 123.396 123.396 124.667 -1.271 25302 378 1 2 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.551 0.204 25302 379 1 2 . 1 1 35 35 GLU C C 35 175.069 175.069 174.791 0.278 25302 380 1 2 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.661 -0.320 25302 381 1 2 . 1 1 35 35 GLU CB C 35 33.163 33.163 34.094 -0.931 25302 382 1 2 . 1 1 35 35 GLU H H 35 9.226 9.226 8.708 0.518 25302 383 1 2 . 1 1 36 36 ASN N N 36 118.081 118.081 117.410 0.671 25302 384 1 2 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.144 -0.055 25302 385 1 2 . 1 1 36 36 ASN C C 36 172.567 172.567 173.795 -1.228 25302 386 1 2 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.625 -0.171 25302 387 1 2 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.992 0.406 25302 388 1 2 . 1 1 36 36 ASN H H 36 8.540 8.540 8.697 -0.157 25302 389 1 3 . 1 1 2 2 GLY N N 2 109.171 109.171 111.654 -2.483 25302 390 1 3 . 1 1 2 2 GLY C C 2 173.848 173.848 174.582 -0.734 25302 391 1 3 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.289 -0.110 25302 392 1 3 . 1 1 2 2 GLY H H 2 8.599 8.599 8.459 0.140 25302 393 1 3 . 1 1 3 3 GLU N N 3 120.814 120.814 120.010 0.804 25302 394 1 3 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.668 -0.553 25302 395 1 3 . 1 1 3 3 GLU C C 3 175.221 175.221 175.478 -0.257 25302 396 1 3 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.298 1.850 25302 397 1 3 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.318 -2.017 25302 398 1 3 . 1 1 3 3 GLU H H 3 8.477 8.477 8.110 0.367 25302 399 1 3 . 1 1 4 4 CYS N N 4 115.823 115.823 114.862 0.961 25302 400 1 3 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.103 -0.197 25302 401 1 3 . 1 1 4 4 CYS C C 4 174.789 174.789 174.992 -0.203 25302 402 1 3 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.449 -3.326 25302 403 1 3 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.493 17.097 25302 404 1 3 . 1 1 4 4 CYS H H 4 8.050 8.050 8.258 -0.208 25302 405 1 3 . 1 1 5 5 GLY N N 5 105.602 105.602 112.400 -6.798 25302 406 1 3 . 1 1 5 5 GLY C C 5 173.331 173.331 173.360 -0.029 25302 407 1 3 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.201 2.488 25302 408 1 3 . 1 1 5 5 GLY H H 5 8.272 8.272 8.620 -0.348 25302 409 1 3 . 1 1 6 6 ASP N N 6 119.525 119.525 119.700 -0.175 25302 410 1 3 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.912 0.264 25302 411 1 3 . 1 1 6 6 ASP C C 6 174.303 174.303 175.359 -1.056 25302 412 1 3 . 1 1 6 6 ASP CA C 6 51.824 51.824 53.277 -1.453 25302 413 1 3 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.709 -1.256 25302 414 1 3 . 1 1 6 6 ASP H H 6 7.399 7.399 8.017 -0.618 25302 415 1 3 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.799 -1.409 25302 416 1 3 . 1 1 7 7 LYS C C 7 176.491 176.491 176.246 0.245 25302 417 1 3 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.819 0.089 25302 418 1 3 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.380 -0.065 25302 419 1 3 . 1 1 8 8 ASP N N 8 118.123 118.123 121.960 -3.837 25302 420 1 3 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.108 -0.135 25302 421 1 3 . 1 1 8 8 ASP C C 8 174.603 174.603 174.571 0.032 25302 422 1 3 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.646 0.954 25302 423 1 3 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.183 -0.057 25302 424 1 3 . 1 1 8 8 ASP H H 8 8.763 8.763 8.585 0.178 25302 425 1 3 . 1 1 9 9 GLU N N 9 119.080 119.080 119.643 -0.563 25302 426 1 3 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.705 -0.238 25302 427 1 3 . 1 1 9 9 GLU C C 9 172.723 172.723 174.494 -1.771 25302 428 1 3 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.600 0.856 25302 429 1 3 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.263 -3.754 25302 430 1 3 . 1 1 9 9 GLU H H 9 7.842 7.842 7.616 0.226 25302 431 1 3 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.444 0.445 25302 432 1 3 . 1 1 10 10 PRO C C 10 175.963 175.963 176.187 -0.224 25302 433 1 3 . 1 1 10 10 PRO CA C 10 62.124 62.124 63.127 -1.003 25302 434 1 3 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.346 1.025 25302 435 1 3 . 1 1 11 11 CYS N N 11 117.256 117.256 120.233 -2.977 25302 436 1 3 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.803 -0.409 25302 437 1 3 . 1 1 11 11 CYS C C 11 175.560 175.560 175.999 -0.439 25302 438 1 3 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.660 -1.218 25302 439 1 3 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.441 13.230 25302 440 1 3 . 1 1 11 11 CYS H H 11 7.440 7.440 7.870 -0.430 25302 441 1 3 . 1 1 12 12 CYS N N 12 122.475 122.475 123.191 -0.716 25302 442 1 3 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.650 -0.022 25302 443 1 3 . 1 1 12 12 CYS C C 12 174.330 174.330 175.041 -0.711 25302 444 1 3 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.557 -4.322 25302 445 1 3 . 1 1 12 12 CYS CB C 12 40.251 40.251 28.460 11.791 25302 446 1 3 . 1 1 12 12 CYS H H 12 9.249 9.249 8.596 0.653 25302 447 1 3 . 1 1 13 13 GLY N N 13 110.237 110.237 110.503 -0.266 25302 448 1 3 . 1 1 13 13 GLY C C 13 173.730 173.730 174.003 -0.273 25302 449 1 3 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.474 0.301 25302 450 1 3 . 1 1 13 13 GLY H H 13 8.676 8.676 8.393 0.283 25302 451 1 3 . 1 1 14 14 ARG N N 14 123.065 123.065 126.036 -2.971 25302 452 1 3 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.321 0.348 25302 453 1 3 . 1 1 14 14 ARG C C 14 176.773 176.773 176.808 -0.035 25302 454 1 3 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.971 -1.330 25302 455 1 3 . 1 1 14 14 ARG CB C 14 31.731 31.731 30.128 1.603 25302 456 1 3 . 1 1 14 14 ARG H H 14 8.255 8.255 8.339 -0.084 25302 457 1 3 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.382 -0.159 25302 458 1 3 . 1 1 15 15 PRO C C 15 176.628 176.628 176.173 0.455 25302 459 1 3 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.464 0.778 25302 460 1 3 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.244 0.482 25302 461 1 3 . 1 1 16 16 ASP N N 16 113.958 113.958 116.184 -2.226 25302 462 1 3 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.556 -0.182 25302 463 1 3 . 1 1 16 16 ASP C C 16 176.667 176.667 177.200 -0.533 25302 464 1 3 . 1 1 16 16 ASP CA C 16 53.356 53.356 53.541 -0.185 25302 465 1 3 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.353 -0.795 25302 466 1 3 . 1 1 16 16 ASP H H 16 7.732 7.732 7.881 -0.149 25302 467 1 3 . 1 1 17 17 GLY N N 17 108.298 108.298 109.018 -0.720 25302 468 1 3 . 1 1 17 17 GLY C C 17 174.120 174.120 173.948 0.172 25302 469 1 3 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.874 -0.273 25302 470 1 3 . 1 1 17 17 GLY H H 17 8.123 8.123 7.878 0.245 25302 471 1 3 . 1 1 18 18 ALA N N 18 123.792 123.792 121.803 1.989 25302 472 1 3 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.461 -0.311 25302 473 1 3 . 1 1 18 18 ALA C C 18 176.098 176.098 176.559 -0.461 25302 474 1 3 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.360 0.980 25302 475 1 3 . 1 1 18 18 ALA CB C 18 19.226 19.226 20.153 -0.927 25302 476 1 3 . 1 1 18 18 ALA H H 18 7.572 7.572 7.798 -0.226 25302 477 1 3 . 1 1 19 19 LYS N N 19 119.628 119.628 120.758 -1.130 25302 478 1 3 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.519 0.532 25302 479 1 3 . 1 1 19 19 LYS C C 19 176.655 176.655 176.351 0.304 25302 480 1 3 . 1 1 19 19 LYS CA C 19 54.505 54.505 54.713 -0.208 25302 481 1 3 . 1 1 19 19 LYS CB C 19 35.815 35.815 33.317 2.498 25302 482 1 3 . 1 1 19 19 LYS H H 19 7.970 7.970 8.231 -0.261 25302 483 1 3 . 1 1 20 20 VAL N N 20 116.531 116.531 126.110 -9.579 25302 484 1 3 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.002 0.615 25302 485 1 3 . 1 1 20 20 VAL C C 20 174.216 174.216 174.568 -0.352 25302 486 1 3 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.813 -2.754 25302 487 1 3 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.492 5.070 25302 488 1 3 . 1 1 20 20 VAL H H 20 8.757 8.757 8.573 0.184 25302 489 1 3 . 1 1 21 21 CYS N N 21 119.357 119.357 125.961 -6.604 25302 490 1 3 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.923 -0.071 25302 491 1 3 . 1 1 21 21 CYS C C 21 172.912 172.912 173.695 -0.783 25302 492 1 3 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.817 -2.806 25302 493 1 3 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.911 15.413 25302 494 1 3 . 1 1 21 21 CYS H H 21 8.386 8.386 8.405 -0.019 25302 495 1 3 . 1 1 22 22 ASN N N 22 121.561 121.561 121.787 -0.226 25302 496 1 3 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.783 -0.270 25302 497 1 3 . 1 1 22 22 ASN C C 22 174.084 174.084 174.800 -0.716 25302 498 1 3 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.957 -0.415 25302 499 1 3 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.627 -1.684 25302 500 1 3 . 1 1 22 22 ASN H H 22 9.693 9.693 9.030 0.663 25302 501 1 3 . 1 1 23 23 ASP N N 23 121.712 121.712 120.956 0.756 25302 502 1 3 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.497 -0.188 25302 503 1 3 . 1 1 23 23 ASP C C 23 174.448 174.448 175.305 -0.857 25302 504 1 3 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.836 0.494 25302 505 1 3 . 1 1 23 23 ASP CB C 23 40.200 40.200 40.974 -0.774 25302 506 1 3 . 1 1 23 23 ASP H H 23 8.321 8.321 8.607 -0.286 25302 507 1 3 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.430 -0.065 25302 508 1 3 . 1 1 24 24 PRO C C 24 174.513 174.513 175.443 -0.930 25302 509 1 3 . 1 1 24 24 PRO CA C 24 63.625 63.625 61.915 1.710 25302 510 1 3 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.266 1.601 25302 511 1 3 . 1 1 25 25 TRP N N 25 125.765 125.765 120.111 5.654 25302 512 1 3 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.719 -0.009 25302 513 1 3 . 1 1 25 25 TRP C C 25 174.307 174.307 176.457 -2.150 25302 514 1 3 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.347 0.386 25302 515 1 3 . 1 1 25 25 TRP CB C 25 30.051 30.051 30.502 -0.451 25302 516 1 3 . 1 1 25 25 TRP H H 25 8.334 8.334 7.275 1.059 25302 517 1 3 . 1 1 26 26 VAL N N 26 114.147 114.147 113.857 0.290 25302 518 1 3 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.749 -0.378 25302 519 1 3 . 1 1 26 26 VAL C C 26 174.295 174.295 174.558 -0.263 25302 520 1 3 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.670 -0.507 25302 521 1 3 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.660 -0.382 25302 522 1 3 . 1 1 26 26 VAL H H 26 8.952 8.952 8.540 0.412 25302 523 1 3 . 1 1 27 27 CYS N N 27 122.366 122.366 125.402 -3.036 25302 524 1 3 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.870 -0.505 25302 525 1 3 . 1 1 27 27 CYS C C 27 174.268 174.268 175.570 -1.302 25302 526 1 3 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.407 -1.751 25302 527 1 3 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.136 13.731 25302 528 1 3 . 1 1 27 27 CYS H H 27 8.747 8.747 8.651 0.096 25302 529 1 3 . 1 1 28 28 ILE N N 28 133.803 133.803 130.583 3.220 25302 530 1 3 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.133 -0.001 25302 531 1 3 . 1 1 28 28 ILE C C 28 177.492 177.492 176.751 0.741 25302 532 1 3 . 1 1 28 28 ILE CA C 28 58.495 58.495 61.134 -2.639 25302 533 1 3 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.504 -3.986 25302 534 1 3 . 1 1 28 28 ILE H H 28 8.763 8.763 8.347 0.416 25302 535 1 3 . 1 1 29 29 LEU N N 29 128.360 128.360 130.052 -1.692 25302 536 1 3 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.185 -0.318 25302 537 1 3 . 1 1 29 29 LEU C C 29 179.282 179.282 177.997 1.285 25302 538 1 3 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.522 0.522 25302 539 1 3 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.297 0.925 25302 540 1 3 . 1 1 29 29 LEU H H 29 8.452 8.452 8.829 -0.377 25302 541 1 3 . 1 1 30 30 THR N N 30 108.140 108.140 112.090 -3.950 25302 542 1 3 . 1 1 30 30 THR HA H 30 3.929 3.929 4.235 -0.306 25302 543 1 3 . 1 1 30 30 THR C C 30 175.393 175.393 175.623 -0.230 25302 544 1 3 . 1 1 30 30 THR CA C 30 64.119 64.119 64.958 -0.839 25302 545 1 3 . 1 1 30 30 THR CB C 30 67.994 67.994 68.782 -0.788 25302 546 1 3 . 1 1 30 30 THR H H 30 7.589 7.589 8.206 -0.617 25302 547 1 3 . 1 1 31 31 SER N N 31 112.240 112.240 114.855 -2.615 25302 548 1 3 . 1 1 31 31 SER HA H 31 4.446 4.446 4.572 -0.126 25302 549 1 3 . 1 1 31 31 SER C C 31 174.912 174.912 175.063 -0.151 25302 550 1 3 . 1 1 31 31 SER CA C 31 56.859 56.859 58.793 -1.934 25302 551 1 3 . 1 1 31 31 SER CB C 31 64.760 64.760 64.054 0.706 25302 552 1 3 . 1 1 31 31 SER H H 31 7.002 7.002 7.512 -0.510 25302 553 1 3 . 1 1 32 32 SER N N 32 118.529 118.529 116.064 2.465 25302 554 1 3 . 1 1 32 32 SER HA H 32 3.604 3.604 4.115 -0.511 25302 555 1 3 . 1 1 32 32 SER C C 32 174.998 174.998 173.166 1.832 25302 556 1 3 . 1 1 32 32 SER CA C 32 59.523 59.523 59.855 -0.332 25302 557 1 3 . 1 1 32 32 SER CB C 32 62.111 62.111 61.266 0.845 25302 558 1 3 . 1 1 32 32 SER H H 32 8.558 8.558 8.312 0.246 25302 559 1 3 . 1 1 33 33 ARG N N 33 117.830 117.830 114.144 3.686 25302 560 1 3 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.994 -0.170 25302 561 1 3 . 1 1 33 33 ARG C C 33 175.115 175.115 175.113 0.002 25302 562 1 3 . 1 1 33 33 ARG CA C 33 53.420 53.420 54.248 -0.828 25302 563 1 3 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.404 1.131 25302 564 1 3 . 1 1 33 33 ARG H H 33 7.215 7.215 7.472 -0.257 25302 565 1 3 . 1 1 34 34 CYS N N 34 120.813 120.813 122.283 -1.470 25302 566 1 3 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.666 0.394 25302 567 1 3 . 1 1 34 34 CYS C C 34 175.041 175.041 174.598 0.443 25302 568 1 3 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.686 -5.991 25302 569 1 3 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.418 15.691 25302 570 1 3 . 1 1 34 34 CYS H H 34 8.284 8.284 8.624 -0.340 25302 571 1 3 . 1 1 35 35 GLU N N 35 123.396 123.396 124.187 -0.791 25302 572 1 3 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.555 0.200 25302 573 1 3 . 1 1 35 35 GLU C C 35 175.069 175.069 174.934 0.135 25302 574 1 3 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.612 -0.271 25302 575 1 3 . 1 1 35 35 GLU CB C 35 33.163 33.163 34.471 -1.308 25302 576 1 3 . 1 1 35 35 GLU H H 35 9.226 9.226 8.688 0.538 25302 577 1 3 . 1 1 36 36 ASN N N 36 118.081 118.081 117.502 0.579 25302 578 1 3 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.217 -0.128 25302 579 1 3 . 1 1 36 36 ASN C C 36 172.567 172.567 173.853 -1.286 25302 580 1 3 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.071 0.383 25302 581 1 3 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.956 0.442 25302 582 1 3 . 1 1 36 36 ASN H H 36 8.540 8.540 8.673 -0.133 25302 583 1 4 . 1 1 2 2 GLY N N 2 109.171 109.171 113.071 -3.900 25302 584 1 4 . 1 1 2 2 GLY C C 2 173.848 173.848 174.336 -0.488 25302 585 1 4 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.628 -0.449 25302 586 1 4 . 1 1 2 2 GLY H H 2 8.599 8.599 8.740 -0.141 25302 587 1 4 . 1 1 3 3 GLU N N 3 120.814 120.814 119.785 1.029 25302 588 1 4 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.627 -0.512 25302 589 1 4 . 1 1 3 3 GLU C C 3 175.221 175.221 175.407 -0.186 25302 590 1 4 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.794 1.353 25302 591 1 4 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.407 -2.106 25302 592 1 4 . 1 1 3 3 GLU H H 3 8.477 8.477 7.665 0.812 25302 593 1 4 . 1 1 4 4 CYS N N 4 115.823 115.823 115.811 0.012 25302 594 1 4 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.067 -0.161 25302 595 1 4 . 1 1 4 4 CYS C C 4 174.789 174.789 174.844 -0.055 25302 596 1 4 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.598 -3.475 25302 597 1 4 . 1 1 4 4 CYS CB C 4 46.590 46.590 30.171 16.419 25302 598 1 4 . 1 1 4 4 CYS H H 4 8.050 8.050 8.427 -0.377 25302 599 1 4 . 1 1 5 5 GLY N N 5 105.602 105.602 111.357 -5.755 25302 600 1 4 . 1 1 5 5 GLY C C 5 173.331 173.331 173.479 -0.148 25302 601 1 4 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.553 2.136 25302 602 1 4 . 1 1 5 5 GLY H H 5 8.272 8.272 8.622 -0.350 25302 603 1 4 . 1 1 6 6 ASP N N 6 119.525 119.525 119.809 -0.284 25302 604 1 4 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.935 0.241 25302 605 1 4 . 1 1 6 6 ASP C C 6 174.303 174.303 175.726 -1.423 25302 606 1 4 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.855 -1.031 25302 607 1 4 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.518 -1.065 25302 608 1 4 . 1 1 6 6 ASP H H 6 7.399 7.399 7.941 -0.542 25302 609 1 4 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.768 -1.378 25302 610 1 4 . 1 1 7 7 LYS C C 7 176.491 176.491 176.248 0.243 25302 611 1 4 . 1 1 7 7 LYS CA C 7 57.908 57.908 56.974 0.934 25302 612 1 4 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.074 0.241 25302 613 1 4 . 1 1 8 8 ASP N N 8 118.123 118.123 122.334 -4.211 25302 614 1 4 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.106 -0.133 25302 615 1 4 . 1 1 8 8 ASP C C 8 174.603 174.603 175.144 -0.541 25302 616 1 4 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.515 1.085 25302 617 1 4 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.442 -0.316 25302 618 1 4 . 1 1 8 8 ASP H H 8 8.763 8.763 8.513 0.250 25302 619 1 4 . 1 1 9 9 GLU N N 9 119.080 119.080 119.132 -0.052 25302 620 1 4 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.712 -0.244 25302 621 1 4 . 1 1 9 9 GLU C C 9 172.723 172.723 174.261 -1.538 25302 622 1 4 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.795 0.661 25302 623 1 4 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.980 -4.471 25302 624 1 4 . 1 1 9 9 GLU H H 9 7.842 7.842 7.592 0.250 25302 625 1 4 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.602 0.286 25302 626 1 4 . 1 1 10 10 PRO C C 10 175.963 175.963 176.403 -0.440 25302 627 1 4 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.878 -0.754 25302 628 1 4 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.689 0.682 25302 629 1 4 . 1 1 11 11 CYS N N 11 117.256 117.256 119.590 -2.334 25302 630 1 4 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.642 -0.248 25302 631 1 4 . 1 1 11 11 CYS C C 11 175.560 175.560 175.925 -0.365 25302 632 1 4 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.997 -1.555 25302 633 1 4 . 1 1 11 11 CYS CB C 11 40.671 40.671 26.753 13.918 25302 634 1 4 . 1 1 11 11 CYS H H 11 7.440 7.440 7.935 -0.495 25302 635 1 4 . 1 1 12 12 CYS N N 12 122.475 122.475 123.511 -1.036 25302 636 1 4 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.754 -0.126 25302 637 1 4 . 1 1 12 12 CYS C C 12 174.330 174.330 175.749 -1.419 25302 638 1 4 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.238 -4.003 25302 639 1 4 . 1 1 12 12 CYS CB C 12 40.251 40.251 27.097 13.154 25302 640 1 4 . 1 1 12 12 CYS H H 12 9.249 9.249 8.596 0.653 25302 641 1 4 . 1 1 13 13 GLY N N 13 110.237 110.237 111.172 -0.935 25302 642 1 4 . 1 1 13 13 GLY C C 13 173.730 173.730 174.214 -0.484 25302 643 1 4 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.607 0.168 25302 644 1 4 . 1 1 13 13 GLY H H 13 8.676 8.676 8.484 0.192 25302 645 1 4 . 1 1 14 14 ARG N N 14 123.065 123.065 124.535 -1.470 25302 646 1 4 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.491 0.178 25302 647 1 4 . 1 1 14 14 ARG C C 14 176.773 176.773 175.570 1.203 25302 648 1 4 . 1 1 14 14 ARG CA C 14 53.641 53.641 53.390 0.251 25302 649 1 4 . 1 1 14 14 ARG CB C 14 31.731 31.731 30.132 1.599 25302 650 1 4 . 1 1 14 14 ARG H H 14 8.255 8.255 8.293 -0.038 25302 651 1 4 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.264 -0.041 25302 652 1 4 . 1 1 15 15 PRO C C 15 176.628 176.628 176.764 -0.136 25302 653 1 4 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.802 0.440 25302 654 1 4 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.925 -0.199 25302 655 1 4 . 1 1 16 16 ASP N N 16 113.958 113.958 114.501 -0.543 25302 656 1 4 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.518 -0.144 25302 657 1 4 . 1 1 16 16 ASP C C 16 176.667 176.667 177.038 -0.371 25302 658 1 4 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.195 -0.839 25302 659 1 4 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.487 -0.929 25302 660 1 4 . 1 1 16 16 ASP H H 16 7.732 7.732 8.344 -0.612 25302 661 1 4 . 1 1 17 17 GLY N N 17 108.298 108.298 106.188 2.110 25302 662 1 4 . 1 1 17 17 GLY C C 17 174.120 174.120 174.191 -0.071 25302 663 1 4 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.534 0.067 25302 664 1 4 . 1 1 17 17 GLY H H 17 8.123 8.123 7.681 0.442 25302 665 1 4 . 1 1 18 18 ALA N N 18 123.792 123.792 123.264 0.528 25302 666 1 4 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.424 -0.274 25302 667 1 4 . 1 1 18 18 ALA C C 18 176.098 176.098 176.237 -0.139 25302 668 1 4 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.926 0.414 25302 669 1 4 . 1 1 18 18 ALA CB C 18 19.226 19.226 20.184 -0.958 25302 670 1 4 . 1 1 18 18 ALA H H 18 7.572 7.572 8.037 -0.465 25302 671 1 4 . 1 1 19 19 LYS N N 19 119.628 119.628 120.214 -0.586 25302 672 1 4 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.470 0.581 25302 673 1 4 . 1 1 19 19 LYS C C 19 176.655 176.655 175.804 0.851 25302 674 1 4 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.370 -0.865 25302 675 1 4 . 1 1 19 19 LYS CB C 19 35.815 35.815 33.624 2.191 25302 676 1 4 . 1 1 19 19 LYS H H 19 7.970 7.970 8.351 -0.381 25302 677 1 4 . 1 1 20 20 VAL N N 20 116.531 116.531 126.659 -10.128 25302 678 1 4 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.005 0.612 25302 679 1 4 . 1 1 20 20 VAL C C 20 174.216 174.216 174.588 -0.372 25302 680 1 4 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.862 -2.803 25302 681 1 4 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.736 4.826 25302 682 1 4 . 1 1 20 20 VAL H H 20 8.757 8.757 8.370 0.387 25302 683 1 4 . 1 1 21 21 CYS N N 21 119.357 119.357 126.061 -6.704 25302 684 1 4 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.778 0.074 25302 685 1 4 . 1 1 21 21 CYS C C 21 172.912 172.912 173.650 -0.738 25302 686 1 4 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.659 -2.648 25302 687 1 4 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.180 16.143 25302 688 1 4 . 1 1 21 21 CYS H H 21 8.386 8.386 8.449 -0.063 25302 689 1 4 . 1 1 22 22 ASN N N 22 121.561 121.561 122.125 -0.564 25302 690 1 4 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.767 -0.254 25302 691 1 4 . 1 1 22 22 ASN C C 22 174.084 174.084 174.670 -0.586 25302 692 1 4 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.887 -0.345 25302 693 1 4 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.621 -1.678 25302 694 1 4 . 1 1 22 22 ASN H H 22 9.693 9.693 8.778 0.915 25302 695 1 4 . 1 1 23 23 ASP N N 23 121.712 121.712 119.742 1.970 25302 696 1 4 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.489 -0.180 25302 697 1 4 . 1 1 23 23 ASP C C 23 174.448 174.448 175.195 -0.747 25302 698 1 4 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.512 0.818 25302 699 1 4 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.172 -0.973 25302 700 1 4 . 1 1 23 23 ASP H H 23 8.321 8.321 8.478 -0.157 25302 701 1 4 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.444 -0.079 25302 702 1 4 . 1 1 24 24 PRO C C 24 174.513 174.513 176.150 -1.637 25302 703 1 4 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.085 1.540 25302 704 1 4 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.480 1.387 25302 705 1 4 . 1 1 25 25 TRP N N 25 125.765 125.765 121.500 4.265 25302 706 1 4 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.710 0.000 25302 707 1 4 . 1 1 25 25 TRP C C 25 174.307 174.307 176.661 -2.354 25302 708 1 4 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.899 -0.166 25302 709 1 4 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.887 0.164 25302 710 1 4 . 1 1 25 25 TRP H H 25 8.334 8.334 7.054 1.280 25302 711 1 4 . 1 1 26 26 VAL N N 26 114.147 114.147 116.575 -2.428 25302 712 1 4 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.724 -0.353 25302 713 1 4 . 1 1 26 26 VAL C C 26 174.295 174.295 175.088 -0.793 25302 714 1 4 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.815 -0.652 25302 715 1 4 . 1 1 26 26 VAL CB C 26 35.278 35.278 34.648 0.630 25302 716 1 4 . 1 1 26 26 VAL H H 26 8.952 8.952 8.788 0.164 25302 717 1 4 . 1 1 27 27 CYS N N 27 122.366 122.366 127.238 -4.872 25302 718 1 4 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.798 -0.433 25302 719 1 4 . 1 1 27 27 CYS C C 27 174.268 174.268 175.727 -1.459 25302 720 1 4 . 1 1 27 27 CYS CA C 27 56.656 56.656 57.997 -1.341 25302 721 1 4 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.095 13.772 25302 722 1 4 . 1 1 27 27 CYS H H 27 8.747 8.747 9.044 -0.297 25302 723 1 4 . 1 1 28 28 ILE N N 28 133.803 133.803 130.207 3.596 25302 724 1 4 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.141 -0.009 25302 725 1 4 . 1 1 28 28 ILE C C 28 177.492 177.492 176.824 0.668 25302 726 1 4 . 1 1 28 28 ILE CA C 28 58.495 58.495 61.690 -3.195 25302 727 1 4 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.604 -4.086 25302 728 1 4 . 1 1 28 28 ILE H H 28 8.763 8.763 8.244 0.519 25302 729 1 4 . 1 1 29 29 LEU N N 29 128.360 128.360 128.235 0.125 25302 730 1 4 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.111 -0.244 25302 731 1 4 . 1 1 29 29 LEU C C 29 179.282 179.282 178.262 1.020 25302 732 1 4 . 1 1 29 29 LEU CA C 29 58.044 58.044 58.334 -0.290 25302 733 1 4 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.504 0.718 25302 734 1 4 . 1 1 29 29 LEU H H 29 8.452 8.452 8.802 -0.350 25302 735 1 4 . 1 1 30 30 THR N N 30 108.140 108.140 113.303 -5.163 25302 736 1 4 . 1 1 30 30 THR HA H 30 3.929 3.929 4.136 -0.207 25302 737 1 4 . 1 1 30 30 THR C C 30 175.393 175.393 175.877 -0.484 25302 738 1 4 . 1 1 30 30 THR CA C 30 64.119 64.119 64.584 -0.465 25302 739 1 4 . 1 1 30 30 THR CB C 30 67.994 67.994 68.803 -0.809 25302 740 1 4 . 1 1 30 30 THR H H 30 7.589 7.589 8.053 -0.464 25302 741 1 4 . 1 1 31 31 SER N N 31 112.240 112.240 116.408 -4.168 25302 742 1 4 . 1 1 31 31 SER HA H 31 4.446 4.446 4.454 -0.008 25302 743 1 4 . 1 1 31 31 SER C C 31 174.912 174.912 174.860 0.052 25302 744 1 4 . 1 1 31 31 SER CA C 31 56.859 56.859 58.571 -1.712 25302 745 1 4 . 1 1 31 31 SER CB C 31 64.760 64.760 63.389 1.371 25302 746 1 4 . 1 1 31 31 SER H H 31 7.002 7.002 8.045 -1.043 25302 747 1 4 . 1 1 32 32 SER N N 32 118.529 118.529 114.760 3.769 25302 748 1 4 . 1 1 32 32 SER HA H 32 3.604 3.604 4.129 -0.525 25302 749 1 4 . 1 1 32 32 SER C C 32 174.998 174.998 173.338 1.660 25302 750 1 4 . 1 1 32 32 SER CA C 32 59.523 59.523 60.057 -0.534 25302 751 1 4 . 1 1 32 32 SER CB C 32 62.111 62.111 61.448 0.663 25302 752 1 4 . 1 1 32 32 SER H H 32 8.558 8.558 8.004 0.554 25302 753 1 4 . 1 1 33 33 ARG N N 33 117.830 117.830 115.086 2.744 25302 754 1 4 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.998 -0.174 25302 755 1 4 . 1 1 33 33 ARG C C 33 175.115 175.115 176.217 -1.102 25302 756 1 4 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.537 -0.117 25302 757 1 4 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.302 1.234 25302 758 1 4 . 1 1 33 33 ARG H H 33 7.215 7.215 7.419 -0.204 25302 759 1 4 . 1 1 34 34 CYS N N 34 120.813 120.813 123.108 -2.295 25302 760 1 4 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.626 0.434 25302 761 1 4 . 1 1 34 34 CYS C C 34 175.041 175.041 174.189 0.852 25302 762 1 4 . 1 1 34 34 CYS CA C 34 53.695 53.695 60.297 -6.602 25302 763 1 4 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.541 16.568 25302 764 1 4 . 1 1 34 34 CYS H H 34 8.284 8.284 8.814 -0.530 25302 765 1 4 . 1 1 35 35 GLU N N 35 123.396 123.396 125.482 -2.086 25302 766 1 4 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.502 0.253 25302 767 1 4 . 1 1 35 35 GLU C C 35 175.069 175.069 175.173 -0.104 25302 768 1 4 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.835 -0.494 25302 769 1 4 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.684 -0.521 25302 770 1 4 . 1 1 35 35 GLU H H 35 9.226 9.226 8.214 1.012 25302 771 1 4 . 1 1 36 36 ASN N N 36 118.081 118.081 118.663 -0.582 25302 772 1 4 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.203 -0.114 25302 773 1 4 . 1 1 36 36 ASN C C 36 172.567 172.567 173.550 -0.983 25302 774 1 4 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.188 0.266 25302 775 1 4 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.832 0.566 25302 776 1 4 . 1 1 36 36 ASN H H 36 8.540 8.540 8.682 -0.142 25302 777 1 5 . 1 1 2 2 GLY N N 2 109.171 109.171 112.427 -3.256 25302 778 1 5 . 1 1 2 2 GLY C C 2 173.848 173.848 174.481 -0.633 25302 779 1 5 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.357 -0.178 25302 780 1 5 . 1 1 2 2 GLY H H 2 8.599 8.599 8.710 -0.111 25302 781 1 5 . 1 1 3 3 GLU N N 3 120.814 120.814 118.900 1.914 25302 782 1 5 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.338 -0.223 25302 783 1 5 . 1 1 3 3 GLU C C 3 175.221 175.221 175.022 0.199 25302 784 1 5 . 1 1 3 3 GLU CA C 3 57.148 57.148 56.037 1.111 25302 785 1 5 . 1 1 3 3 GLU CB C 3 29.301 29.301 30.622 -1.321 25302 786 1 5 . 1 1 3 3 GLU H H 3 8.477 8.477 8.147 0.330 25302 787 1 5 . 1 1 4 4 CYS N N 4 115.823 115.823 115.407 0.416 25302 788 1 5 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.114 -0.208 25302 789 1 5 . 1 1 4 4 CYS C C 4 174.789 174.789 174.308 0.481 25302 790 1 5 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.727 -3.604 25302 791 1 5 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.306 17.284 25302 792 1 5 . 1 1 4 4 CYS H H 4 8.050 8.050 8.239 -0.189 25302 793 1 5 . 1 1 5 5 GLY N N 5 105.602 105.602 111.211 -5.609 25302 794 1 5 . 1 1 5 5 GLY C C 5 173.331 173.331 173.338 -0.007 25302 795 1 5 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.450 2.239 25302 796 1 5 . 1 1 5 5 GLY H H 5 8.272 8.272 8.719 -0.447 25302 797 1 5 . 1 1 6 6 ASP N N 6 119.525 119.525 120.010 -0.485 25302 798 1 5 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.719 0.457 25302 799 1 5 . 1 1 6 6 ASP C C 6 174.303 174.303 175.391 -1.088 25302 800 1 5 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.999 -1.175 25302 801 1 5 . 1 1 6 6 ASP CB C 6 41.453 41.453 43.264 -1.811 25302 802 1 5 . 1 1 6 6 ASP H H 6 7.399 7.399 8.063 -0.664 25302 803 1 5 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.593 -1.203 25302 804 1 5 . 1 1 7 7 LYS C C 7 176.491 176.491 176.678 -0.187 25302 805 1 5 . 1 1 7 7 LYS CA C 7 57.908 57.908 56.800 1.108 25302 806 1 5 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.732 -0.417 25302 807 1 5 . 1 1 8 8 ASP N N 8 118.123 118.123 120.259 -2.136 25302 808 1 5 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.149 -0.176 25302 809 1 5 . 1 1 8 8 ASP C C 8 174.603 174.603 174.537 0.066 25302 810 1 5 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.792 0.808 25302 811 1 5 . 1 1 8 8 ASP CB C 8 39.126 39.126 38.927 0.199 25302 812 1 5 . 1 1 8 8 ASP H H 8 8.763 8.763 8.759 0.004 25302 813 1 5 . 1 1 9 9 GLU N N 9 119.080 119.080 119.372 -0.292 25302 814 1 5 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.653 -0.186 25302 815 1 5 . 1 1 9 9 GLU C C 9 172.723 172.723 174.392 -1.669 25302 816 1 5 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.674 0.782 25302 817 1 5 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.596 -4.087 25302 818 1 5 . 1 1 9 9 GLU H H 9 7.842 7.842 7.475 0.367 25302 819 1 5 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.627 0.261 25302 820 1 5 . 1 1 10 10 PRO C C 10 175.963 175.963 176.397 -0.434 25302 821 1 5 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.870 -0.745 25302 822 1 5 . 1 1 10 10 PRO CB C 10 32.371 32.371 32.081 0.290 25302 823 1 5 . 1 1 11 11 CYS N N 11 117.256 117.256 117.928 -0.672 25302 824 1 5 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.740 -0.346 25302 825 1 5 . 1 1 11 11 CYS C C 11 175.560 175.560 175.843 -0.283 25302 826 1 5 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.650 -1.208 25302 827 1 5 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.552 13.119 25302 828 1 5 . 1 1 11 11 CYS H H 11 7.440 7.440 8.095 -0.655 25302 829 1 5 . 1 1 12 12 CYS N N 12 122.475 122.475 122.991 -0.516 25302 830 1 5 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.685 -0.057 25302 831 1 5 . 1 1 12 12 CYS C C 12 174.330 174.330 174.714 -0.384 25302 832 1 5 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.477 -4.242 25302 833 1 5 . 1 1 12 12 CYS CB C 12 40.251 40.251 28.001 12.250 25302 834 1 5 . 1 1 12 12 CYS H H 12 9.249 9.249 8.501 0.748 25302 835 1 5 . 1 1 13 13 GLY N N 13 110.237 110.237 110.486 -0.249 25302 836 1 5 . 1 1 13 13 GLY C C 13 173.730 173.730 174.078 -0.348 25302 837 1 5 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.386 0.389 25302 838 1 5 . 1 1 13 13 GLY H H 13 8.676 8.676 8.382 0.294 25302 839 1 5 . 1 1 14 14 ARG N N 14 123.065 123.065 123.338 -0.273 25302 840 1 5 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.649 0.020 25302 841 1 5 . 1 1 14 14 ARG C C 14 176.773 176.773 175.994 0.779 25302 842 1 5 . 1 1 14 14 ARG CA C 14 53.641 53.641 53.038 0.603 25302 843 1 5 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.582 2.149 25302 844 1 5 . 1 1 14 14 ARG H H 14 8.255 8.255 8.464 -0.209 25302 845 1 5 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.256 -0.033 25302 846 1 5 . 1 1 15 15 PRO C C 15 176.628 176.628 176.859 -0.231 25302 847 1 5 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.977 0.265 25302 848 1 5 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.742 -0.016 25302 849 1 5 . 1 1 16 16 ASP N N 16 113.958 113.958 114.799 -0.841 25302 850 1 5 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.527 -0.153 25302 851 1 5 . 1 1 16 16 ASP C C 16 176.667 176.667 176.915 -0.248 25302 852 1 5 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.017 -0.660 25302 853 1 5 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.610 -1.052 25302 854 1 5 . 1 1 16 16 ASP H H 16 7.732 7.732 8.282 -0.550 25302 855 1 5 . 1 1 17 17 GLY N N 17 108.298 108.298 108.215 0.083 25302 856 1 5 . 1 1 17 17 GLY C C 17 174.120 174.120 173.663 0.457 25302 857 1 5 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.650 -0.049 25302 858 1 5 . 1 1 17 17 GLY H H 17 8.123 8.123 7.849 0.274 25302 859 1 5 . 1 1 18 18 ALA N N 18 123.792 123.792 123.163 0.629 25302 860 1 5 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.390 -0.240 25302 861 1 5 . 1 1 18 18 ALA C C 18 176.098 176.098 176.685 -0.587 25302 862 1 5 . 1 1 18 18 ALA CA C 18 52.340 52.340 52.001 0.339 25302 863 1 5 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.691 -0.465 25302 864 1 5 . 1 1 18 18 ALA H H 18 7.572 7.572 7.630 -0.058 25302 865 1 5 . 1 1 19 19 LYS N N 19 119.628 119.628 124.117 -4.489 25302 866 1 5 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.487 0.564 25302 867 1 5 . 1 1 19 19 LYS C C 19 176.655 176.655 176.364 0.291 25302 868 1 5 . 1 1 19 19 LYS CA C 19 54.505 54.505 54.882 -0.377 25302 869 1 5 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.288 3.527 25302 870 1 5 . 1 1 19 19 LYS H H 19 7.970 7.970 8.499 -0.529 25302 871 1 5 . 1 1 20 20 VAL N N 20 116.531 116.531 126.928 -10.397 25302 872 1 5 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.022 0.595 25302 873 1 5 . 1 1 20 20 VAL C C 20 174.216 174.216 174.620 -0.404 25302 874 1 5 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.699 -2.640 25302 875 1 5 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.171 5.391 25302 876 1 5 . 1 1 20 20 VAL H H 20 8.757 8.757 8.388 0.369 25302 877 1 5 . 1 1 21 21 CYS N N 21 119.357 119.357 125.624 -6.267 25302 878 1 5 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.823 0.029 25302 879 1 5 . 1 1 21 21 CYS C C 21 172.912 172.912 173.790 -0.878 25302 880 1 5 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.517 -2.506 25302 881 1 5 . 1 1 21 21 CYS CB C 21 46.324 46.324 29.989 16.335 25302 882 1 5 . 1 1 21 21 CYS H H 21 8.386 8.386 8.194 0.192 25302 883 1 5 . 1 1 22 22 ASN N N 22 121.561 121.561 121.827 -0.266 25302 884 1 5 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.793 -0.280 25302 885 1 5 . 1 1 22 22 ASN C C 22 174.084 174.084 174.670 -0.586 25302 886 1 5 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.836 -0.294 25302 887 1 5 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.639 -1.696 25302 888 1 5 . 1 1 22 22 ASN H H 22 9.693 9.693 8.733 0.960 25302 889 1 5 . 1 1 23 23 ASP N N 23 121.712 121.712 119.691 2.021 25302 890 1 5 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.519 -0.210 25302 891 1 5 . 1 1 23 23 ASP C C 23 174.448 174.448 175.381 -0.933 25302 892 1 5 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.735 0.595 25302 893 1 5 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.196 -0.996 25302 894 1 5 . 1 1 23 23 ASP H H 23 8.321 8.321 8.509 -0.188 25302 895 1 5 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.438 -0.073 25302 896 1 5 . 1 1 24 24 PRO C C 24 174.513 174.513 175.937 -1.424 25302 897 1 5 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.217 1.409 25302 898 1 5 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.752 1.115 25302 899 1 5 . 1 1 25 25 TRP N N 25 125.765 125.765 120.172 5.593 25302 900 1 5 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.677 0.033 25302 901 1 5 . 1 1 25 25 TRP C C 25 174.307 174.307 176.528 -2.221 25302 902 1 5 . 1 1 25 25 TRP CA C 25 56.733 56.733 57.006 -0.273 25302 903 1 5 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.669 0.382 25302 904 1 5 . 1 1 25 25 TRP H H 25 8.334 8.334 7.159 1.175 25302 905 1 5 . 1 1 26 26 VAL N N 26 114.147 114.147 123.314 -9.167 25302 906 1 5 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.466 -0.095 25302 907 1 5 . 1 1 26 26 VAL C C 26 174.295 174.295 175.892 -1.597 25302 908 1 5 . 1 1 26 26 VAL CA C 26 59.163 59.163 60.976 -1.813 25302 909 1 5 . 1 1 26 26 VAL CB C 26 35.278 35.278 34.570 0.708 25302 910 1 5 . 1 1 26 26 VAL H H 26 8.952 8.952 9.002 -0.050 25302 911 1 5 . 1 1 27 27 CYS N N 27 122.366 122.366 128.563 -6.197 25302 912 1 5 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.621 -0.256 25302 913 1 5 . 1 1 27 27 CYS C C 27 174.268 174.268 175.369 -1.101 25302 914 1 5 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.653 -1.996 25302 915 1 5 . 1 1 27 27 CYS CB C 27 39.867 39.867 25.698 14.169 25302 916 1 5 . 1 1 27 27 CYS H H 27 8.747 8.747 8.952 -0.205 25302 917 1 5 . 1 1 28 28 ILE N N 28 133.803 133.803 130.733 3.070 25302 918 1 5 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.123 0.009 25302 919 1 5 . 1 1 28 28 ILE C C 28 177.492 177.492 176.626 0.866 25302 920 1 5 . 1 1 28 28 ILE CA C 28 58.495 58.495 61.525 -3.030 25302 921 1 5 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.288 -3.770 25302 922 1 5 . 1 1 28 28 ILE H H 28 8.763 8.763 8.471 0.292 25302 923 1 5 . 1 1 29 29 LEU N N 29 128.360 128.360 129.411 -1.051 25302 924 1 5 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.187 -0.320 25302 925 1 5 . 1 1 29 29 LEU C C 29 179.282 179.282 178.810 0.472 25302 926 1 5 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.461 0.583 25302 927 1 5 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.658 0.564 25302 928 1 5 . 1 1 29 29 LEU H H 29 8.452 8.452 8.815 -0.363 25302 929 1 5 . 1 1 30 30 THR N N 30 108.140 108.140 113.688 -5.548 25302 930 1 5 . 1 1 30 30 THR HA H 30 3.929 3.929 4.187 -0.258 25302 931 1 5 . 1 1 30 30 THR C C 30 175.393 175.393 175.496 -0.103 25302 932 1 5 . 1 1 30 30 THR CA C 30 64.119 64.119 64.139 -0.021 25302 933 1 5 . 1 1 30 30 THR CB C 30 67.994 67.994 69.028 -1.034 25302 934 1 5 . 1 1 30 30 THR H H 30 7.589 7.589 8.116 -0.527 25302 935 1 5 . 1 1 31 31 SER N N 31 112.240 112.240 115.596 -3.356 25302 936 1 5 . 1 1 31 31 SER HA H 31 4.446 4.446 4.533 -0.087 25302 937 1 5 . 1 1 31 31 SER C C 31 174.912 174.912 174.445 0.467 25302 938 1 5 . 1 1 31 31 SER CA C 31 56.859 56.859 58.490 -1.631 25302 939 1 5 . 1 1 31 31 SER CB C 31 64.760 64.760 64.087 0.673 25302 940 1 5 . 1 1 31 31 SER H H 31 7.002 7.002 7.631 -0.629 25302 941 1 5 . 1 1 32 32 SER N N 32 118.529 118.529 116.092 2.437 25302 942 1 5 . 1 1 32 32 SER HA H 32 3.604 3.604 4.087 -0.483 25302 943 1 5 . 1 1 32 32 SER C C 32 174.998 174.998 173.278 1.720 25302 944 1 5 . 1 1 32 32 SER CA C 32 59.523 59.523 59.847 -0.324 25302 945 1 5 . 1 1 32 32 SER CB C 32 62.111 62.111 61.279 0.832 25302 946 1 5 . 1 1 32 32 SER H H 32 8.558 8.558 8.077 0.481 25302 947 1 5 . 1 1 33 33 ARG N N 33 117.830 117.830 113.777 4.053 25302 948 1 5 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.872 -0.048 25302 949 1 5 . 1 1 33 33 ARG C C 33 175.115 175.115 175.152 -0.037 25302 950 1 5 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.769 -0.349 25302 951 1 5 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.331 1.204 25302 952 1 5 . 1 1 33 33 ARG H H 33 7.215 7.215 7.494 -0.279 25302 953 1 5 . 1 1 34 34 CYS N N 34 120.813 120.813 121.893 -1.080 25302 954 1 5 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.534 0.526 25302 955 1 5 . 1 1 34 34 CYS C C 34 175.041 175.041 174.405 0.636 25302 956 1 5 . 1 1 34 34 CYS CA C 34 53.695 53.695 60.528 -6.833 25302 957 1 5 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.991 16.118 25302 958 1 5 . 1 1 34 34 CYS H H 34 8.284 8.284 8.704 -0.420 25302 959 1 5 . 1 1 35 35 GLU N N 35 123.396 123.396 123.643 -0.247 25302 960 1 5 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.606 0.149 25302 961 1 5 . 1 1 35 35 GLU C C 35 175.069 175.069 174.763 0.306 25302 962 1 5 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.012 0.329 25302 963 1 5 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.903 -0.740 25302 964 1 5 . 1 1 35 35 GLU H H 35 9.226 9.226 8.670 0.556 25302 965 1 5 . 1 1 36 36 ASN N N 36 118.081 118.081 118.678 -0.597 25302 966 1 5 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.029 0.060 25302 967 1 5 . 1 1 36 36 ASN C C 36 172.567 172.567 173.976 -1.409 25302 968 1 5 . 1 1 36 36 ASN CA C 36 52.454 52.454 51.848 0.606 25302 969 1 5 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.264 0.134 25302 970 1 5 . 1 1 36 36 ASN H H 36 8.540 8.540 8.582 -0.042 25302 971 1 6 . 1 1 2 2 GLY N N 2 109.171 109.171 112.237 -3.066 25302 972 1 6 . 1 1 2 2 GLY C C 2 173.848 173.848 174.233 -0.385 25302 973 1 6 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.346 -0.167 25302 974 1 6 . 1 1 2 2 GLY H H 2 8.599 8.599 8.553 0.046 25302 975 1 6 . 1 1 3 3 GLU N N 3 120.814 120.814 120.998 -0.184 25302 976 1 6 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.520 -0.405 25302 977 1 6 . 1 1 3 3 GLU C C 3 175.221 175.221 176.201 -0.980 25302 978 1 6 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.306 1.842 25302 979 1 6 . 1 1 3 3 GLU CB C 3 29.301 29.301 30.656 -1.355 25302 980 1 6 . 1 1 3 3 GLU H H 3 8.477 8.477 7.907 0.570 25302 981 1 6 . 1 1 4 4 CYS N N 4 115.823 115.823 117.129 -1.306 25302 982 1 6 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.530 -0.624 25302 983 1 6 . 1 1 4 4 CYS C C 4 174.789 174.789 175.742 -0.953 25302 984 1 6 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.020 -2.897 25302 985 1 6 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.258 17.332 25302 986 1 6 . 1 1 4 4 CYS H H 4 8.050 8.050 8.325 -0.275 25302 987 1 6 . 1 1 5 5 GLY N N 5 105.602 105.602 113.246 -7.644 25302 988 1 6 . 1 1 5 5 GLY C C 5 173.331 173.331 173.344 -0.013 25302 989 1 6 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.165 2.524 25302 990 1 6 . 1 1 5 5 GLY H H 5 8.272 8.272 8.686 -0.414 25302 991 1 6 . 1 1 6 6 ASP N N 6 119.525 119.525 120.295 -0.770 25302 992 1 6 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.806 0.370 25302 993 1 6 . 1 1 6 6 ASP C C 6 174.303 174.303 175.822 -1.519 25302 994 1 6 . 1 1 6 6 ASP CA C 6 51.824 51.824 53.140 -1.316 25302 995 1 6 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.679 -1.226 25302 996 1 6 . 1 1 6 6 ASP H H 6 7.399 7.399 7.894 -0.495 25302 997 1 6 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.956 -1.566 25302 998 1 6 . 1 1 7 7 LYS C C 7 176.491 176.491 176.189 0.302 25302 999 1 6 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.168 0.740 25302 1000 1 6 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.687 -0.372 25302 1001 1 6 . 1 1 8 8 ASP N N 8 118.123 118.123 122.391 -4.268 25302 1002 1 6 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.139 -0.166 25302 1003 1 6 . 1 1 8 8 ASP C C 8 174.603 174.603 175.158 -0.555 25302 1004 1 6 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.867 0.733 25302 1005 1 6 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.858 -0.732 25302 1006 1 6 . 1 1 8 8 ASP H H 8 8.763 8.763 8.614 0.149 25302 1007 1 6 . 1 1 9 9 GLU N N 9 119.080 119.080 117.434 1.646 25302 1008 1 6 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.796 -0.329 25302 1009 1 6 . 1 1 9 9 GLU C C 9 172.723 172.723 174.065 -1.342 25302 1010 1 6 . 1 1 9 9 GLU CA C 9 53.456 53.456 53.574 -0.117 25302 1011 1 6 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.810 -4.301 25302 1012 1 6 . 1 1 9 9 GLU H H 9 7.842 7.842 7.472 0.370 25302 1013 1 6 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.593 0.295 25302 1014 1 6 . 1 1 10 10 PRO C C 10 175.963 175.963 176.710 -0.747 25302 1015 1 6 . 1 1 10 10 PRO CA C 10 62.124 62.124 63.031 -0.906 25302 1016 1 6 . 1 1 10 10 PRO CB C 10 32.371 32.371 32.092 0.279 25302 1017 1 6 . 1 1 11 11 CYS N N 11 117.256 117.256 116.805 0.451 25302 1018 1 6 . 1 1 11 11 CYS HA H 11 4.394 4.394 5.178 -0.784 25302 1019 1 6 . 1 1 11 11 CYS C C 11 175.560 175.560 176.014 -0.454 25302 1020 1 6 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.107 -0.665 25302 1021 1 6 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.478 13.193 25302 1022 1 6 . 1 1 11 11 CYS H H 11 7.440 7.440 7.993 -0.553 25302 1023 1 6 . 1 1 12 12 CYS N N 12 122.475 122.475 123.288 -0.813 25302 1024 1 6 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.648 -0.020 25302 1025 1 6 . 1 1 12 12 CYS C C 12 174.330 174.330 175.286 -0.956 25302 1026 1 6 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.093 -3.858 25302 1027 1 6 . 1 1 12 12 CYS CB C 12 40.251 40.251 26.280 13.971 25302 1028 1 6 . 1 1 12 12 CYS H H 12 9.249 9.249 8.735 0.514 25302 1029 1 6 . 1 1 13 13 GLY N N 13 110.237 110.237 113.250 -3.013 25302 1030 1 6 . 1 1 13 13 GLY C C 13 173.730 173.730 174.113 -0.383 25302 1031 1 6 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.743 0.032 25302 1032 1 6 . 1 1 13 13 GLY H H 13 8.676 8.676 8.450 0.226 25302 1033 1 6 . 1 1 14 14 ARG N N 14 123.065 123.065 125.470 -2.405 25302 1034 1 6 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.245 0.424 25302 1035 1 6 . 1 1 14 14 ARG C C 14 176.773 176.773 176.870 -0.097 25302 1036 1 6 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.450 -0.809 25302 1037 1 6 . 1 1 14 14 ARG CB C 14 31.731 31.731 28.724 3.007 25302 1038 1 6 . 1 1 14 14 ARG H H 14 8.255 8.255 8.045 0.210 25302 1039 1 6 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.211 0.012 25302 1040 1 6 . 1 1 15 15 PRO C C 15 176.628 176.628 176.893 -0.265 25302 1041 1 6 . 1 1 15 15 PRO CA C 15 65.242 65.242 65.275 -0.033 25302 1042 1 6 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.755 -0.028 25302 1043 1 6 . 1 1 16 16 ASP N N 16 113.958 113.958 114.773 -0.815 25302 1044 1 6 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.496 -0.122 25302 1045 1 6 . 1 1 16 16 ASP C C 16 176.667 176.667 177.110 -0.443 25302 1046 1 6 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.354 -0.998 25302 1047 1 6 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.895 -1.337 25302 1048 1 6 . 1 1 16 16 ASP H H 16 7.732 7.732 8.342 -0.610 25302 1049 1 6 . 1 1 17 17 GLY N N 17 108.298 108.298 107.851 0.447 25302 1050 1 6 . 1 1 17 17 GLY C C 17 174.120 174.120 173.359 0.761 25302 1051 1 6 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.560 0.041 25302 1052 1 6 . 1 1 17 17 GLY H H 17 8.123 8.123 8.071 0.052 25302 1053 1 6 . 1 1 18 18 ALA N N 18 123.792 123.792 124.588 -0.796 25302 1054 1 6 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.360 -0.210 25302 1055 1 6 . 1 1 18 18 ALA C C 18 176.098 176.098 176.992 -0.894 25302 1056 1 6 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.808 0.532 25302 1057 1 6 . 1 1 18 18 ALA CB C 18 19.226 19.226 18.785 0.441 25302 1058 1 6 . 1 1 18 18 ALA H H 18 7.572 7.572 7.701 -0.129 25302 1059 1 6 . 1 1 19 19 LYS N N 19 119.628 119.628 126.033 -6.405 25302 1060 1 6 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.299 0.752 25302 1061 1 6 . 1 1 19 19 LYS C C 19 176.655 176.655 175.948 0.707 25302 1062 1 6 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.947 -1.442 25302 1063 1 6 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.632 3.183 25302 1064 1 6 . 1 1 19 19 LYS H H 19 7.970 7.970 8.527 -0.557 25302 1065 1 6 . 1 1 20 20 VAL N N 20 116.531 116.531 126.997 -10.466 25302 1066 1 6 . 1 1 20 20 VAL HA H 20 4.617 4.617 3.995 0.622 25302 1067 1 6 . 1 1 20 20 VAL C C 20 174.216 174.216 174.711 -0.495 25302 1068 1 6 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.722 -2.663 25302 1069 1 6 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.527 5.035 25302 1070 1 6 . 1 1 20 20 VAL H H 20 8.757 8.757 7.944 0.813 25302 1071 1 6 . 1 1 21 21 CYS N N 21 119.357 119.357 126.006 -6.649 25302 1072 1 6 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.756 0.096 25302 1073 1 6 . 1 1 21 21 CYS C C 21 172.912 172.912 174.043 -1.131 25302 1074 1 6 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.657 -2.646 25302 1075 1 6 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.023 16.301 25302 1076 1 6 . 1 1 21 21 CYS H H 21 8.386 8.386 8.287 0.099 25302 1077 1 6 . 1 1 22 22 ASN N N 22 121.561 121.561 122.862 -1.301 25302 1078 1 6 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.787 -0.274 25302 1079 1 6 . 1 1 22 22 ASN C C 22 174.084 174.084 174.742 -0.658 25302 1080 1 6 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.477 0.065 25302 1081 1 6 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.422 -1.478 25302 1082 1 6 . 1 1 22 22 ASN H H 22 9.693 9.693 8.683 1.010 25302 1083 1 6 . 1 1 23 23 ASP N N 23 121.712 121.712 119.094 2.618 25302 1084 1 6 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.615 -0.306 25302 1085 1 6 . 1 1 23 23 ASP C C 23 174.448 174.448 175.525 -1.077 25302 1086 1 6 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.641 0.689 25302 1087 1 6 . 1 1 23 23 ASP CB C 23 40.200 40.200 40.907 -0.707 25302 1088 1 6 . 1 1 23 23 ASP H H 23 8.321 8.321 8.486 -0.165 25302 1089 1 6 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.430 -0.065 25302 1090 1 6 . 1 1 24 24 PRO C C 24 174.513 174.513 175.884 -1.371 25302 1091 1 6 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.329 1.296 25302 1092 1 6 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.679 1.188 25302 1093 1 6 . 1 1 25 25 TRP N N 25 125.765 125.765 120.567 5.198 25302 1094 1 6 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.584 0.126 25302 1095 1 6 . 1 1 25 25 TRP C C 25 174.307 174.307 176.277 -1.970 25302 1096 1 6 . 1 1 25 25 TRP CA C 25 56.733 56.733 57.129 -0.396 25302 1097 1 6 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.502 0.549 25302 1098 1 6 . 1 1 25 25 TRP H H 25 8.334 8.334 7.164 1.170 25302 1099 1 6 . 1 1 26 26 VAL N N 26 114.147 114.147 123.240 -9.093 25302 1100 1 6 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.407 -0.036 25302 1101 1 6 . 1 1 26 26 VAL C C 26 174.295 174.295 175.932 -1.637 25302 1102 1 6 . 1 1 26 26 VAL CA C 26 59.163 59.163 61.164 -2.001 25302 1103 1 6 . 1 1 26 26 VAL CB C 26 35.278 35.278 34.404 0.874 25302 1104 1 6 . 1 1 26 26 VAL H H 26 8.952 8.952 8.518 0.434 25302 1105 1 6 . 1 1 27 27 CYS N N 27 122.366 122.366 128.280 -5.914 25302 1106 1 6 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.942 -0.577 25302 1107 1 6 . 1 1 27 27 CYS C C 27 174.268 174.268 175.099 -0.831 25302 1108 1 6 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.197 -1.542 25302 1109 1 6 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.889 12.978 25302 1110 1 6 . 1 1 27 27 CYS H H 27 8.747 8.747 8.957 -0.210 25302 1111 1 6 . 1 1 28 28 ILE N N 28 133.803 133.803 129.411 4.392 25302 1112 1 6 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.262 -0.130 25302 1113 1 6 . 1 1 28 28 ILE C C 28 177.492 177.492 176.750 0.742 25302 1114 1 6 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.852 -2.357 25302 1115 1 6 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.084 -3.566 25302 1116 1 6 . 1 1 28 28 ILE H H 28 8.763 8.763 8.240 0.523 25302 1117 1 6 . 1 1 29 29 LEU N N 29 128.360 128.360 127.627 0.733 25302 1118 1 6 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.184 -0.317 25302 1119 1 6 . 1 1 29 29 LEU C C 29 179.282 179.282 178.113 1.169 25302 1120 1 6 . 1 1 29 29 LEU CA C 29 58.044 58.044 58.011 0.033 25302 1121 1 6 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.842 0.380 25302 1122 1 6 . 1 1 29 29 LEU H H 29 8.452 8.452 8.698 -0.246 25302 1123 1 6 . 1 1 30 30 THR N N 30 108.140 108.140 112.394 -4.254 25302 1124 1 6 . 1 1 30 30 THR HA H 30 3.929 3.929 4.154 -0.225 25302 1125 1 6 . 1 1 30 30 THR C C 30 175.393 175.393 176.314 -0.921 25302 1126 1 6 . 1 1 30 30 THR CA C 30 64.119 64.119 64.667 -0.548 25302 1127 1 6 . 1 1 30 30 THR CB C 30 67.994 67.994 68.914 -0.920 25302 1128 1 6 . 1 1 30 30 THR H H 30 7.589 7.589 7.943 -0.354 25302 1129 1 6 . 1 1 31 31 SER N N 31 112.240 112.240 114.760 -2.520 25302 1130 1 6 . 1 1 31 31 SER HA H 31 4.446 4.446 4.547 -0.101 25302 1131 1 6 . 1 1 31 31 SER C C 31 174.912 174.912 175.105 -0.193 25302 1132 1 6 . 1 1 31 31 SER CA C 31 56.859 56.859 58.361 -1.502 25302 1133 1 6 . 1 1 31 31 SER CB C 31 64.760 64.760 64.197 0.563 25302 1134 1 6 . 1 1 31 31 SER H H 31 7.002 7.002 8.120 -1.118 25302 1135 1 6 . 1 1 32 32 SER N N 32 118.529 118.529 115.200 3.329 25302 1136 1 6 . 1 1 32 32 SER HA H 32 3.604 3.604 4.162 -0.558 25302 1137 1 6 . 1 1 32 32 SER C C 32 174.998 174.998 173.124 1.874 25302 1138 1 6 . 1 1 32 32 SER CA C 32 59.523 59.523 59.932 -0.409 25302 1139 1 6 . 1 1 32 32 SER CB C 32 62.111 62.111 61.432 0.679 25302 1140 1 6 . 1 1 32 32 SER H H 32 8.558 8.558 8.102 0.456 25302 1141 1 6 . 1 1 33 33 ARG N N 33 117.830 117.830 116.498 1.332 25302 1142 1 6 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.835 -0.011 25302 1143 1 6 . 1 1 33 33 ARG C C 33 175.115 175.115 176.165 -1.050 25302 1144 1 6 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.916 -0.496 25302 1145 1 6 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.143 1.393 25302 1146 1 6 . 1 1 33 33 ARG H H 33 7.215 7.215 7.437 -0.222 25302 1147 1 6 . 1 1 34 34 CYS N N 34 120.813 120.813 123.104 -2.291 25302 1148 1 6 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.448 0.612 25302 1149 1 6 . 1 1 34 34 CYS C C 34 175.041 175.041 174.270 0.771 25302 1150 1 6 . 1 1 34 34 CYS CA C 34 53.695 53.695 60.358 -6.662 25302 1151 1 6 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.965 16.144 25302 1152 1 6 . 1 1 34 34 CYS H H 34 8.284 8.284 8.685 -0.401 25302 1153 1 6 . 1 1 35 35 GLU N N 35 123.396 123.396 124.331 -0.935 25302 1154 1 6 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.411 0.344 25302 1155 1 6 . 1 1 35 35 GLU C C 35 175.069 175.069 174.276 0.793 25302 1156 1 6 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.707 -0.366 25302 1157 1 6 . 1 1 35 35 GLU CB C 35 33.163 33.163 31.768 1.395 25302 1158 1 6 . 1 1 35 35 GLU H H 35 9.226 9.226 8.390 0.836 25302 1159 1 6 . 1 1 36 36 ASN N N 36 118.081 118.081 117.247 0.834 25302 1160 1 6 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.178 -0.089 25302 1161 1 6 . 1 1 36 36 ASN C C 36 172.567 172.567 174.134 -1.567 25302 1162 1 6 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.855 -0.401 25302 1163 1 6 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.180 0.218 25302 1164 1 6 . 1 1 36 36 ASN H H 36 8.540 8.540 8.753 -0.213 25302 1165 1 7 . 1 1 2 2 GLY N N 2 109.171 109.171 108.826 0.345 25302 1166 1 7 . 1 1 2 2 GLY C C 2 173.848 173.848 174.297 -0.449 25302 1167 1 7 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.371 -0.192 25302 1168 1 7 . 1 1 2 2 GLY H H 2 8.599 8.599 8.611 -0.012 25302 1169 1 7 . 1 1 3 3 GLU N N 3 120.814 120.814 118.457 2.357 25302 1170 1 7 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.574 -0.459 25302 1171 1 7 . 1 1 3 3 GLU C C 3 175.221 175.221 175.163 0.058 25302 1172 1 7 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.326 1.822 25302 1173 1 7 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.476 -2.175 25302 1174 1 7 . 1 1 3 3 GLU H H 3 8.477 8.477 8.440 0.037 25302 1175 1 7 . 1 1 4 4 CYS N N 4 115.823 115.823 116.149 -0.326 25302 1176 1 7 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.157 -0.251 25302 1177 1 7 . 1 1 4 4 CYS C C 4 174.789 174.789 174.901 -0.112 25302 1178 1 7 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.441 -3.318 25302 1179 1 7 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.652 16.938 25302 1180 1 7 . 1 1 4 4 CYS H H 4 8.050 8.050 8.293 -0.243 25302 1181 1 7 . 1 1 5 5 GLY N N 5 105.602 105.602 112.138 -6.536 25302 1182 1 7 . 1 1 5 5 GLY C C 5 173.331 173.331 172.468 0.863 25302 1183 1 7 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.319 2.370 25302 1184 1 7 . 1 1 5 5 GLY H H 5 8.272 8.272 8.761 -0.489 25302 1185 1 7 . 1 1 6 6 ASP N N 6 119.525 119.525 118.503 1.022 25302 1186 1 7 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.984 0.192 25302 1187 1 7 . 1 1 6 6 ASP C C 6 174.303 174.303 175.295 -0.992 25302 1188 1 7 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.254 -0.430 25302 1189 1 7 . 1 1 6 6 ASP CB C 6 41.453 41.453 44.134 -2.681 25302 1190 1 7 . 1 1 6 6 ASP H H 6 7.399 7.399 7.789 -0.390 25302 1191 1 7 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.901 -1.511 25302 1192 1 7 . 1 1 7 7 LYS C C 7 176.491 176.491 176.195 0.296 25302 1193 1 7 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.785 0.123 25302 1194 1 7 . 1 1 7 7 LYS CB C 7 31.315 31.315 32.154 -0.839 25302 1195 1 7 . 1 1 8 8 ASP N N 8 118.123 118.123 119.069 -0.946 25302 1196 1 7 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.224 -0.251 25302 1197 1 7 . 1 1 8 8 ASP C C 8 174.603 174.603 174.992 -0.389 25302 1198 1 7 . 1 1 8 8 ASP CA C 8 56.600 56.600 56.007 0.593 25302 1199 1 7 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.594 -0.468 25302 1200 1 7 . 1 1 8 8 ASP H H 8 8.763 8.763 8.695 0.068 25302 1201 1 7 . 1 1 9 9 GLU N N 9 119.080 119.080 118.222 0.858 25302 1202 1 7 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.724 -0.257 25302 1203 1 7 . 1 1 9 9 GLU C C 9 172.723 172.723 174.300 -1.577 25302 1204 1 7 . 1 1 9 9 GLU CA C 9 53.456 53.456 53.292 0.164 25302 1205 1 7 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.008 -3.499 25302 1206 1 7 . 1 1 9 9 GLU H H 9 7.842 7.842 7.469 0.373 25302 1207 1 7 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.528 0.360 25302 1208 1 7 . 1 1 10 10 PRO C C 10 175.963 175.963 176.211 -0.248 25302 1209 1 7 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.864 -0.740 25302 1210 1 7 . 1 1 10 10 PRO CB C 10 32.371 32.371 32.096 0.275 25302 1211 1 7 . 1 1 11 11 CYS N N 11 117.256 117.256 118.887 -1.631 25302 1212 1 7 . 1 1 11 11 CYS HA H 11 4.394 4.394 5.143 -0.749 25302 1213 1 7 . 1 1 11 11 CYS C C 11 175.560 175.560 176.012 -0.452 25302 1214 1 7 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.141 -0.699 25302 1215 1 7 . 1 1 11 11 CYS CB C 11 40.671 40.671 26.755 13.916 25302 1216 1 7 . 1 1 11 11 CYS H H 11 7.440 7.440 7.971 -0.531 25302 1217 1 7 . 1 1 12 12 CYS N N 12 122.475 122.475 123.513 -1.038 25302 1218 1 7 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.731 -0.103 25302 1219 1 7 . 1 1 12 12 CYS C C 12 174.330 174.330 175.016 -0.686 25302 1220 1 7 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.224 -3.989 25302 1221 1 7 . 1 1 12 12 CYS CB C 12 40.251 40.251 28.145 12.106 25302 1222 1 7 . 1 1 12 12 CYS H H 12 9.249 9.249 8.605 0.644 25302 1223 1 7 . 1 1 13 13 GLY N N 13 110.237 110.237 111.141 -0.904 25302 1224 1 7 . 1 1 13 13 GLY C C 13 173.730 173.730 173.808 -0.078 25302 1225 1 7 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.399 0.376 25302 1226 1 7 . 1 1 13 13 GLY H H 13 8.676 8.676 8.491 0.185 25302 1227 1 7 . 1 1 14 14 ARG N N 14 123.065 123.065 122.328 0.737 25302 1228 1 7 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.751 -0.082 25302 1229 1 7 . 1 1 14 14 ARG C C 14 176.773 176.773 175.776 0.997 25302 1230 1 7 . 1 1 14 14 ARG CA C 14 53.641 53.641 52.857 0.784 25302 1231 1 7 . 1 1 14 14 ARG CB C 14 31.731 31.731 30.819 0.912 25302 1232 1 7 . 1 1 14 14 ARG H H 14 8.255 8.255 8.168 0.087 25302 1233 1 7 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.256 -0.033 25302 1234 1 7 . 1 1 15 15 PRO C C 15 176.628 176.628 176.463 0.165 25302 1235 1 7 . 1 1 15 15 PRO CA C 15 65.242 65.242 65.057 0.185 25302 1236 1 7 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.236 0.490 25302 1237 1 7 . 1 1 16 16 ASP N N 16 113.958 113.958 117.713 -3.755 25302 1238 1 7 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.476 -0.102 25302 1239 1 7 . 1 1 16 16 ASP C C 16 176.667 176.667 177.078 -0.411 25302 1240 1 7 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.165 -0.809 25302 1241 1 7 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.438 -0.880 25302 1242 1 7 . 1 1 16 16 ASP H H 16 7.732 7.732 8.067 -0.335 25302 1243 1 7 . 1 1 17 17 GLY N N 17 108.298 108.298 109.264 -0.966 25302 1244 1 7 . 1 1 17 17 GLY C C 17 174.120 174.120 173.240 0.880 25302 1245 1 7 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.750 -0.149 25302 1246 1 7 . 1 1 17 17 GLY H H 17 8.123 8.123 7.853 0.270 25302 1247 1 7 . 1 1 18 18 ALA N N 18 123.792 123.792 122.230 1.562 25302 1248 1 7 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.615 -0.465 25302 1249 1 7 . 1 1 18 18 ALA C C 18 176.098 176.098 176.279 -0.181 25302 1250 1 7 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.059 1.282 25302 1251 1 7 . 1 1 18 18 ALA CB C 18 19.226 19.226 20.991 -1.765 25302 1252 1 7 . 1 1 18 18 ALA H H 18 7.572 7.572 7.585 -0.013 25302 1253 1 7 . 1 1 19 19 LYS N N 19 119.628 119.628 122.836 -3.208 25302 1254 1 7 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.361 0.690 25302 1255 1 7 . 1 1 19 19 LYS C C 19 176.655 176.655 176.183 0.472 25302 1256 1 7 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.191 -0.686 25302 1257 1 7 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.624 3.191 25302 1258 1 7 . 1 1 19 19 LYS H H 19 7.970 7.970 8.517 -0.547 25302 1259 1 7 . 1 1 20 20 VAL N N 20 116.531 116.531 126.819 -10.288 25302 1260 1 7 . 1 1 20 20 VAL HA H 20 4.617 4.617 3.972 0.645 25302 1261 1 7 . 1 1 20 20 VAL C C 20 174.216 174.216 174.326 -0.110 25302 1262 1 7 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.908 -2.849 25302 1263 1 7 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.241 5.321 25302 1264 1 7 . 1 1 20 20 VAL H H 20 8.757 8.757 8.344 0.413 25302 1265 1 7 . 1 1 21 21 CYS N N 21 119.357 119.357 125.877 -6.520 25302 1266 1 7 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.748 0.104 25302 1267 1 7 . 1 1 21 21 CYS C C 21 172.912 172.912 173.594 -0.682 25302 1268 1 7 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.791 -2.780 25302 1269 1 7 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.710 15.614 25302 1270 1 7 . 1 1 21 21 CYS H H 21 8.386 8.386 8.109 0.277 25302 1271 1 7 . 1 1 22 22 ASN N N 22 121.561 121.561 122.545 -0.984 25302 1272 1 7 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.773 -0.260 25302 1273 1 7 . 1 1 22 22 ASN C C 22 174.084 174.084 174.821 -0.737 25302 1274 1 7 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.415 0.127 25302 1275 1 7 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.372 -1.429 25302 1276 1 7 . 1 1 22 22 ASN H H 22 9.693 9.693 8.749 0.944 25302 1277 1 7 . 1 1 23 23 ASP N N 23 121.712 121.712 119.530 2.182 25302 1278 1 7 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.593 -0.284 25302 1279 1 7 . 1 1 23 23 ASP C C 23 174.448 174.448 175.681 -1.233 25302 1280 1 7 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.847 0.483 25302 1281 1 7 . 1 1 23 23 ASP CB C 23 40.200 40.200 40.843 -0.643 25302 1282 1 7 . 1 1 23 23 ASP H H 23 8.321 8.321 8.557 -0.236 25302 1283 1 7 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.403 -0.038 25302 1284 1 7 . 1 1 24 24 PRO C C 24 174.513 174.513 175.504 -0.991 25302 1285 1 7 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.083 1.542 25302 1286 1 7 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.387 1.480 25302 1287 1 7 . 1 1 25 25 TRP N N 25 125.765 125.765 120.817 4.948 25302 1288 1 7 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.705 0.005 25302 1289 1 7 . 1 1 25 25 TRP C C 25 174.307 174.307 176.404 -2.097 25302 1290 1 7 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.718 0.015 25302 1291 1 7 . 1 1 25 25 TRP CB C 25 30.051 30.051 30.043 0.008 25302 1292 1 7 . 1 1 25 25 TRP H H 25 8.334 8.334 7.312 1.022 25302 1293 1 7 . 1 1 26 26 VAL N N 26 114.147 114.147 116.623 -2.476 25302 1294 1 7 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.709 -0.338 25302 1295 1 7 . 1 1 26 26 VAL C C 26 174.295 174.295 175.358 -1.063 25302 1296 1 7 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.553 -0.390 25302 1297 1 7 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.662 -0.384 25302 1298 1 7 . 1 1 26 26 VAL H H 26 8.952 8.952 8.487 0.465 25302 1299 1 7 . 1 1 27 27 CYS N N 27 122.366 122.366 123.642 -1.276 25302 1300 1 7 . 1 1 27 27 CYS HA H 27 4.365 4.365 5.036 -0.671 25302 1301 1 7 . 1 1 27 27 CYS C C 27 174.268 174.268 175.360 -1.092 25302 1302 1 7 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.344 -1.688 25302 1303 1 7 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.941 12.926 25302 1304 1 7 . 1 1 27 27 CYS H H 27 8.747 8.747 8.716 0.031 25302 1305 1 7 . 1 1 28 28 ILE N N 28 133.803 133.803 129.863 3.940 25302 1306 1 7 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.280 -0.148 25302 1307 1 7 . 1 1 28 28 ILE C C 28 177.492 177.492 176.142 1.350 25302 1308 1 7 . 1 1 28 28 ILE CA C 28 58.495 58.495 59.983 -1.488 25302 1309 1 7 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.900 -4.382 25302 1310 1 7 . 1 1 28 28 ILE H H 28 8.763 8.763 8.358 0.405 25302 1311 1 7 . 1 1 29 29 LEU N N 29 128.360 128.360 129.453 -1.093 25302 1312 1 7 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.169 -0.302 25302 1313 1 7 . 1 1 29 29 LEU C C 29 179.282 179.282 178.269 1.013 25302 1314 1 7 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.584 0.459 25302 1315 1 7 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.505 0.717 25302 1316 1 7 . 1 1 29 29 LEU H H 29 8.452 8.452 8.893 -0.441 25302 1317 1 7 . 1 1 30 30 THR N N 30 108.140 108.140 113.877 -5.737 25302 1318 1 7 . 1 1 30 30 THR HA H 30 3.929 3.929 4.115 -0.186 25302 1319 1 7 . 1 1 30 30 THR C C 30 175.393 175.393 175.293 0.100 25302 1320 1 7 . 1 1 30 30 THR CA C 30 64.119 64.119 64.634 -0.515 25302 1321 1 7 . 1 1 30 30 THR CB C 30 67.994 67.994 68.900 -0.906 25302 1322 1 7 . 1 1 30 30 THR H H 30 7.589 7.589 8.355 -0.766 25302 1323 1 7 . 1 1 31 31 SER N N 31 112.240 112.240 116.111 -3.871 25302 1324 1 7 . 1 1 31 31 SER HA H 31 4.446 4.446 4.544 -0.098 25302 1325 1 7 . 1 1 31 31 SER C C 31 174.912 174.912 174.998 -0.086 25302 1326 1 7 . 1 1 31 31 SER CA C 31 56.859 56.859 58.620 -1.761 25302 1327 1 7 . 1 1 31 31 SER CB C 31 64.760 64.760 64.050 0.710 25302 1328 1 7 . 1 1 31 31 SER H H 31 7.002 7.002 7.713 -0.711 25302 1329 1 7 . 1 1 32 32 SER N N 32 118.529 118.529 114.553 3.976 25302 1330 1 7 . 1 1 32 32 SER HA H 32 3.604 3.604 4.102 -0.498 25302 1331 1 7 . 1 1 32 32 SER C C 32 174.998 174.998 173.278 1.720 25302 1332 1 7 . 1 1 32 32 SER CA C 32 59.523 59.523 60.027 -0.504 25302 1333 1 7 . 1 1 32 32 SER CB C 32 62.111 62.111 61.362 0.749 25302 1334 1 7 . 1 1 32 32 SER H H 32 8.558 8.558 7.958 0.600 25302 1335 1 7 . 1 1 33 33 ARG N N 33 117.830 117.830 114.720 3.110 25302 1336 1 7 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.977 -0.153 25302 1337 1 7 . 1 1 33 33 ARG C C 33 175.115 175.115 175.216 -0.101 25302 1338 1 7 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.916 -0.496 25302 1339 1 7 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.446 1.090 25302 1340 1 7 . 1 1 33 33 ARG H H 33 7.215 7.215 7.395 -0.180 25302 1341 1 7 . 1 1 34 34 CYS N N 34 120.813 120.813 121.302 -0.489 25302 1342 1 7 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.561 0.499 25302 1343 1 7 . 1 1 34 34 CYS C C 34 175.041 175.041 174.362 0.679 25302 1344 1 7 . 1 1 34 34 CYS CA C 34 53.695 53.695 60.154 -6.459 25302 1345 1 7 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.638 15.471 25302 1346 1 7 . 1 1 34 34 CYS H H 34 8.284 8.284 8.558 -0.274 25302 1347 1 7 . 1 1 35 35 GLU N N 35 123.396 123.396 123.345 0.051 25302 1348 1 7 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.593 0.162 25302 1349 1 7 . 1 1 35 35 GLU C C 35 175.069 175.069 174.521 0.548 25302 1350 1 7 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.895 -0.554 25302 1351 1 7 . 1 1 35 35 GLU CB C 35 33.163 33.163 34.505 -1.342 25302 1352 1 7 . 1 1 35 35 GLU H H 35 9.226 9.226 8.827 0.399 25302 1353 1 7 . 1 1 36 36 ASN N N 36 118.081 118.081 118.011 0.070 25302 1354 1 7 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.200 -0.111 25302 1355 1 7 . 1 1 36 36 ASN C C 36 172.567 172.567 174.048 -1.481 25302 1356 1 7 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.414 0.040 25302 1357 1 7 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.249 0.149 25302 1358 1 7 . 1 1 36 36 ASN H H 36 8.540 8.540 8.771 -0.231 25302 1359 1 8 . 1 1 2 2 GLY N N 2 109.171 109.171 109.172 -0.001 25302 1360 1 8 . 1 1 2 2 GLY C C 2 173.848 173.848 174.254 -0.406 25302 1361 1 8 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.691 -0.512 25302 1362 1 8 . 1 1 2 2 GLY H H 2 8.599 8.599 8.663 -0.064 25302 1363 1 8 . 1 1 3 3 GLU N N 3 120.814 120.814 118.131 2.683 25302 1364 1 8 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.893 -0.778 25302 1365 1 8 . 1 1 3 3 GLU C C 3 175.221 175.221 175.117 0.104 25302 1366 1 8 . 1 1 3 3 GLU CA C 3 57.148 57.148 54.956 2.192 25302 1367 1 8 . 1 1 3 3 GLU CB C 3 29.301 29.301 32.294 -2.994 25302 1368 1 8 . 1 1 3 3 GLU H H 3 8.477 8.477 7.946 0.531 25302 1369 1 8 . 1 1 4 4 CYS N N 4 115.823 115.823 115.331 0.492 25302 1370 1 8 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.116 -0.210 25302 1371 1 8 . 1 1 4 4 CYS C C 4 174.789 174.789 174.732 0.057 25302 1372 1 8 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.696 -3.573 25302 1373 1 8 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.973 16.617 25302 1374 1 8 . 1 1 4 4 CYS H H 4 8.050 8.050 8.438 -0.388 25302 1375 1 8 . 1 1 5 5 GLY N N 5 105.602 105.602 112.819 -7.217 25302 1376 1 8 . 1 1 5 5 GLY C C 5 173.331 173.331 172.938 0.393 25302 1377 1 8 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.389 2.300 25302 1378 1 8 . 1 1 5 5 GLY H H 5 8.272 8.272 8.729 -0.457 25302 1379 1 8 . 1 1 6 6 ASP N N 6 119.525 119.525 117.898 1.627 25302 1380 1 8 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.876 0.300 25302 1381 1 8 . 1 1 6 6 ASP C C 6 174.303 174.303 174.577 -0.274 25302 1382 1 8 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.496 -0.672 25302 1383 1 8 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.916 -1.464 25302 1384 1 8 . 1 1 6 6 ASP H H 6 7.399 7.399 7.686 -0.287 25302 1385 1 8 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.772 -1.382 25302 1386 1 8 . 1 1 7 7 LYS C C 7 176.491 176.491 176.677 -0.186 25302 1387 1 8 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.240 0.667 25302 1388 1 8 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.721 -0.406 25302 1389 1 8 . 1 1 8 8 ASP N N 8 118.123 118.123 121.526 -3.403 25302 1390 1 8 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.219 -0.246 25302 1391 1 8 . 1 1 8 8 ASP C C 8 174.603 174.603 174.717 -0.114 25302 1392 1 8 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.870 0.730 25302 1393 1 8 . 1 1 8 8 ASP CB C 8 39.126 39.126 40.280 -1.154 25302 1394 1 8 . 1 1 8 8 ASP H H 8 8.763 8.763 8.226 0.537 25302 1395 1 8 . 1 1 9 9 GLU N N 9 119.080 119.080 118.602 0.478 25302 1396 1 8 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.822 -0.355 25302 1397 1 8 . 1 1 9 9 GLU C C 9 172.723 172.723 174.029 -1.306 25302 1398 1 8 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.667 0.789 25302 1399 1 8 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.882 -4.373 25302 1400 1 8 . 1 1 9 9 GLU H H 9 7.842 7.842 7.492 0.350 25302 1401 1 8 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.567 0.321 25302 1402 1 8 . 1 1 10 10 PRO C C 10 175.963 175.963 176.395 -0.432 25302 1403 1 8 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.958 -0.834 25302 1404 1 8 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.649 0.722 25302 1405 1 8 . 1 1 11 11 CYS N N 11 117.256 117.256 119.533 -2.277 25302 1406 1 8 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.978 -0.584 25302 1407 1 8 . 1 1 11 11 CYS C C 11 175.560 175.560 176.007 -0.447 25302 1408 1 8 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.719 -1.277 25302 1409 1 8 . 1 1 11 11 CYS CB C 11 40.671 40.671 26.837 13.834 25302 1410 1 8 . 1 1 11 11 CYS H H 11 7.440 7.440 7.881 -0.441 25302 1411 1 8 . 1 1 12 12 CYS N N 12 122.475 122.475 123.913 -1.438 25302 1412 1 8 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.619 0.009 25302 1413 1 8 . 1 1 12 12 CYS C C 12 174.330 174.330 175.225 -0.895 25302 1414 1 8 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.364 -4.129 25302 1415 1 8 . 1 1 12 12 CYS CB C 12 40.251 40.251 27.961 12.290 25302 1416 1 8 . 1 1 12 12 CYS H H 12 9.249 9.249 8.555 0.694 25302 1417 1 8 . 1 1 13 13 GLY N N 13 110.237 110.237 111.133 -0.896 25302 1418 1 8 . 1 1 13 13 GLY C C 13 173.730 173.730 174.316 -0.586 25302 1419 1 8 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.776 -0.001 25302 1420 1 8 . 1 1 13 13 GLY H H 13 8.676 8.676 8.449 0.227 25302 1421 1 8 . 1 1 14 14 ARG N N 14 123.065 123.065 125.671 -2.606 25302 1422 1 8 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.355 0.314 25302 1423 1 8 . 1 1 14 14 ARG C C 14 176.773 176.773 175.854 0.919 25302 1424 1 8 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.420 -0.779 25302 1425 1 8 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.471 2.260 25302 1426 1 8 . 1 1 14 14 ARG H H 14 8.255 8.255 8.239 0.016 25302 1427 1 8 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.313 -0.090 25302 1428 1 8 . 1 1 15 15 PRO C C 15 176.628 176.628 176.972 -0.344 25302 1429 1 8 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.454 0.788 25302 1430 1 8 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.806 -0.080 25302 1431 1 8 . 1 1 16 16 ASP N N 16 113.958 113.958 115.076 -1.118 25302 1432 1 8 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.525 -0.151 25302 1433 1 8 . 1 1 16 16 ASP C C 16 176.667 176.667 176.936 -0.269 25302 1434 1 8 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.316 -0.961 25302 1435 1 8 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.431 -0.874 25302 1436 1 8 . 1 1 16 16 ASP H H 16 7.732 7.732 8.353 -0.621 25302 1437 1 8 . 1 1 17 17 GLY N N 17 108.298 108.298 105.861 2.437 25302 1438 1 8 . 1 1 17 17 GLY C C 17 174.120 174.120 174.017 0.103 25302 1439 1 8 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.530 0.071 25302 1440 1 8 . 1 1 17 17 GLY H H 17 8.123 8.123 7.560 0.563 25302 1441 1 8 . 1 1 18 18 ALA N N 18 123.792 123.792 122.480 1.312 25302 1442 1 8 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.499 -0.349 25302 1443 1 8 . 1 1 18 18 ALA C C 18 176.098 176.098 176.382 -0.284 25302 1444 1 8 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.374 0.966 25302 1445 1 8 . 1 1 18 18 ALA CB C 18 19.226 19.226 20.239 -1.013 25302 1446 1 8 . 1 1 18 18 ALA H H 18 7.572 7.572 7.868 -0.296 25302 1447 1 8 . 1 1 19 19 LYS N N 19 119.628 119.628 120.313 -0.685 25302 1448 1 8 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.425 0.626 25302 1449 1 8 . 1 1 19 19 LYS C C 19 176.655 176.655 176.183 0.472 25302 1450 1 8 . 1 1 19 19 LYS CA C 19 54.505 54.505 54.521 -0.016 25302 1451 1 8 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.975 2.840 25302 1452 1 8 . 1 1 19 19 LYS H H 19 7.970 7.970 8.340 -0.370 25302 1453 1 8 . 1 1 20 20 VAL N N 20 116.531 116.531 126.162 -9.631 25302 1454 1 8 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.033 0.584 25302 1455 1 8 . 1 1 20 20 VAL C C 20 174.216 174.216 174.528 -0.312 25302 1456 1 8 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.413 -2.354 25302 1457 1 8 . 1 1 20 20 VAL CB C 20 36.562 36.562 30.788 5.774 25302 1458 1 8 . 1 1 20 20 VAL H H 20 8.757 8.757 8.386 0.371 25302 1459 1 8 . 1 1 21 21 CYS N N 21 119.357 119.357 123.478 -4.121 25302 1460 1 8 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.719 0.133 25302 1461 1 8 . 1 1 21 21 CYS C C 21 172.912 172.912 173.520 -0.608 25302 1462 1 8 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.985 -2.974 25302 1463 1 8 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.637 15.687 25302 1464 1 8 . 1 1 21 21 CYS H H 21 8.386 8.386 8.097 0.289 25302 1465 1 8 . 1 1 22 22 ASN N N 22 121.561 121.561 120.876 0.685 25302 1466 1 8 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.759 -0.246 25302 1467 1 8 . 1 1 22 22 ASN C C 22 174.084 174.084 174.901 -0.817 25302 1468 1 8 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.549 -0.007 25302 1469 1 8 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.358 -1.415 25302 1470 1 8 . 1 1 22 22 ASN H H 22 9.693 9.693 8.411 1.282 25302 1471 1 8 . 1 1 23 23 ASP N N 23 121.712 121.712 118.580 3.132 25302 1472 1 8 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.639 -0.330 25302 1473 1 8 . 1 1 23 23 ASP C C 23 174.448 174.448 175.719 -1.271 25302 1474 1 8 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.619 0.711 25302 1475 1 8 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.264 -1.064 25302 1476 1 8 . 1 1 23 23 ASP H H 23 8.321 8.321 8.536 -0.215 25302 1477 1 8 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.450 -0.085 25302 1478 1 8 . 1 1 24 24 PRO C C 24 174.513 174.513 175.626 -1.113 25302 1479 1 8 . 1 1 24 24 PRO CA C 24 63.625 63.625 61.891 1.734 25302 1480 1 8 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.394 1.473 25302 1481 1 8 . 1 1 25 25 TRP N N 25 125.765 125.765 120.165 5.600 25302 1482 1 8 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.654 0.056 25302 1483 1 8 . 1 1 25 25 TRP C C 25 174.307 174.307 176.308 -2.001 25302 1484 1 8 . 1 1 25 25 TRP CA C 25 56.733 56.733 57.090 -0.357 25302 1485 1 8 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.608 0.443 25302 1486 1 8 . 1 1 25 25 TRP H H 25 8.334 8.334 7.206 1.128 25302 1487 1 8 . 1 1 26 26 VAL N N 26 114.147 114.147 122.325 -8.178 25302 1488 1 8 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.412 -0.041 25302 1489 1 8 . 1 1 26 26 VAL C C 26 174.295 174.295 175.148 -0.853 25302 1490 1 8 . 1 1 26 26 VAL CA C 26 59.163 59.163 60.517 -1.354 25302 1491 1 8 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.509 -0.231 25302 1492 1 8 . 1 1 26 26 VAL H H 26 8.952 8.952 8.724 0.228 25302 1493 1 8 . 1 1 27 27 CYS N N 27 122.366 122.366 126.454 -4.088 25302 1494 1 8 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.667 -0.302 25302 1495 1 8 . 1 1 27 27 CYS C C 27 174.268 174.268 175.512 -1.244 25302 1496 1 8 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.645 -1.989 25302 1497 1 8 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.232 13.635 25302 1498 1 8 . 1 1 27 27 CYS H H 27 8.747 8.747 8.777 -0.030 25302 1499 1 8 . 1 1 28 28 ILE N N 28 133.803 133.803 130.773 3.030 25302 1500 1 8 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.129 0.003 25302 1501 1 8 . 1 1 28 28 ILE C C 28 177.492 177.492 176.592 0.900 25302 1502 1 8 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.957 -2.462 25302 1503 1 8 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.484 -3.966 25302 1504 1 8 . 1 1 28 28 ILE H H 28 8.763 8.763 8.292 0.471 25302 1505 1 8 . 1 1 29 29 LEU N N 29 128.360 128.360 130.306 -1.946 25302 1506 1 8 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.126 -0.259 25302 1507 1 8 . 1 1 29 29 LEU C C 29 179.282 179.282 177.960 1.322 25302 1508 1 8 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.397 0.647 25302 1509 1 8 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.207 1.015 25302 1510 1 8 . 1 1 29 29 LEU H H 29 8.452 8.452 8.897 -0.445 25302 1511 1 8 . 1 1 30 30 THR N N 30 108.140 108.140 114.223 -6.083 25302 1512 1 8 . 1 1 30 30 THR HA H 30 3.929 3.929 4.154 -0.225 25302 1513 1 8 . 1 1 30 30 THR C C 30 175.393 175.393 175.621 -0.228 25302 1514 1 8 . 1 1 30 30 THR CA C 30 64.119 64.119 64.737 -0.618 25302 1515 1 8 . 1 1 30 30 THR CB C 30 67.994 67.994 68.874 -0.880 25302 1516 1 8 . 1 1 30 30 THR H H 30 7.589 7.589 8.257 -0.668 25302 1517 1 8 . 1 1 31 31 SER N N 31 112.240 112.240 115.965 -3.725 25302 1518 1 8 . 1 1 31 31 SER HA H 31 4.446 4.446 4.524 -0.078 25302 1519 1 8 . 1 1 31 31 SER C C 31 174.912 174.912 174.747 0.165 25302 1520 1 8 . 1 1 31 31 SER CA C 31 56.859 56.859 58.845 -1.986 25302 1521 1 8 . 1 1 31 31 SER CB C 31 64.760 64.760 63.754 1.006 25302 1522 1 8 . 1 1 31 31 SER H H 31 7.002 7.002 7.725 -0.723 25302 1523 1 8 . 1 1 32 32 SER N N 32 118.529 118.529 115.116 3.413 25302 1524 1 8 . 1 1 32 32 SER HA H 32 3.604 3.604 4.048 -0.444 25302 1525 1 8 . 1 1 32 32 SER C C 32 174.998 174.998 173.299 1.699 25302 1526 1 8 . 1 1 32 32 SER CA C 32 59.523 59.523 59.875 -0.352 25302 1527 1 8 . 1 1 32 32 SER CB C 32 62.111 62.111 61.251 0.860 25302 1528 1 8 . 1 1 32 32 SER H H 32 8.558 8.558 8.432 0.126 25302 1529 1 8 . 1 1 33 33 ARG N N 33 117.830 117.830 113.879 3.951 25302 1530 1 8 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.951 -0.127 25302 1531 1 8 . 1 1 33 33 ARG C C 33 175.115 175.115 175.107 0.008 25302 1532 1 8 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.982 -0.562 25302 1533 1 8 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.434 1.102 25302 1534 1 8 . 1 1 33 33 ARG H H 33 7.215 7.215 7.432 -0.217 25302 1535 1 8 . 1 1 34 34 CYS N N 34 120.813 120.813 122.813 -2.000 25302 1536 1 8 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.916 0.144 25302 1537 1 8 . 1 1 34 34 CYS C C 34 175.041 175.041 174.855 0.186 25302 1538 1 8 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.332 -5.637 25302 1539 1 8 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.687 16.422 25302 1540 1 8 . 1 1 34 34 CYS H H 34 8.284 8.284 8.733 -0.449 25302 1541 1 8 . 1 1 35 35 GLU N N 35 123.396 123.396 124.722 -1.326 25302 1542 1 8 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.688 0.067 25302 1543 1 8 . 1 1 35 35 GLU C C 35 175.069 175.069 175.416 -0.347 25302 1544 1 8 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.701 -0.360 25302 1545 1 8 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.794 -0.631 25302 1546 1 8 . 1 1 35 35 GLU H H 35 9.226 9.226 8.523 0.703 25302 1547 1 8 . 1 1 36 36 ASN N N 36 118.081 118.081 117.998 0.083 25302 1548 1 8 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.083 0.006 25302 1549 1 8 . 1 1 36 36 ASN C C 36 172.567 172.567 173.785 -1.218 25302 1550 1 8 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.316 0.138 25302 1551 1 8 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.402 -0.004 25302 1552 1 8 . 1 1 36 36 ASN H H 36 8.540 8.540 8.892 -0.352 25302 1553 1 9 . 1 1 2 2 GLY N N 2 109.171 109.171 110.684 -1.513 25302 1554 1 9 . 1 1 2 2 GLY C C 2 173.848 173.848 174.478 -0.630 25302 1555 1 9 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.794 -0.615 25302 1556 1 9 . 1 1 2 2 GLY H H 2 8.599 8.599 8.863 -0.264 25302 1557 1 9 . 1 1 3 3 GLU N N 3 120.814 120.814 118.218 2.596 25302 1558 1 9 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.648 -0.533 25302 1559 1 9 . 1 1 3 3 GLU C C 3 175.221 175.221 175.134 0.087 25302 1560 1 9 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.251 1.897 25302 1561 1 9 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.786 -2.485 25302 1562 1 9 . 1 1 3 3 GLU H H 3 8.477 8.477 7.963 0.514 25302 1563 1 9 . 1 1 4 4 CYS N N 4 115.823 115.823 115.142 0.681 25302 1564 1 9 . 1 1 4 4 CYS HA H 4 4.906 4.906 4.946 -0.040 25302 1565 1 9 . 1 1 4 4 CYS C C 4 174.789 174.789 175.253 -0.464 25302 1566 1 9 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.486 -3.363 25302 1567 1 9 . 1 1 4 4 CYS CB C 4 46.590 46.590 30.039 16.551 25302 1568 1 9 . 1 1 4 4 CYS H H 4 8.050 8.050 8.227 -0.177 25302 1569 1 9 . 1 1 5 5 GLY N N 5 105.602 105.602 112.275 -6.673 25302 1570 1 9 . 1 1 5 5 GLY C C 5 173.331 173.331 173.029 0.302 25302 1571 1 9 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.482 2.207 25302 1572 1 9 . 1 1 5 5 GLY H H 5 8.272 8.272 8.714 -0.442 25302 1573 1 9 . 1 1 6 6 ASP N N 6 119.525 119.525 118.855 0.670 25302 1574 1 9 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.994 0.182 25302 1575 1 9 . 1 1 6 6 ASP C C 6 174.303 174.303 175.379 -1.076 25302 1576 1 9 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.328 -0.504 25302 1577 1 9 . 1 1 6 6 ASP CB C 6 41.453 41.453 43.691 -2.238 25302 1578 1 9 . 1 1 6 6 ASP H H 6 7.399 7.399 7.885 -0.486 25302 1579 1 9 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.480 -1.090 25302 1580 1 9 . 1 1 7 7 LYS C C 7 176.491 176.491 176.334 0.157 25302 1581 1 9 . 1 1 7 7 LYS CA C 7 57.908 57.908 56.932 0.976 25302 1582 1 9 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.256 0.059 25302 1583 1 9 . 1 1 8 8 ASP N N 8 118.123 118.123 121.160 -3.037 25302 1584 1 9 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.084 -0.111 25302 1585 1 9 . 1 1 8 8 ASP C C 8 174.603 174.603 175.398 -0.795 25302 1586 1 9 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.399 1.201 25302 1587 1 9 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.600 -0.474 25302 1588 1 9 . 1 1 8 8 ASP H H 8 8.763 8.763 8.267 0.496 25302 1589 1 9 . 1 1 9 9 GLU N N 9 119.080 119.080 119.482 -0.402 25302 1590 1 9 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.762 -0.295 25302 1591 1 9 . 1 1 9 9 GLU C C 9 172.723 172.723 174.329 -1.606 25302 1592 1 9 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.618 0.838 25302 1593 1 9 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.728 -4.219 25302 1594 1 9 . 1 1 9 9 GLU H H 9 7.842 7.842 7.787 0.055 25302 1595 1 9 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.611 0.277 25302 1596 1 9 . 1 1 10 10 PRO C C 10 175.963 175.963 176.885 -0.922 25302 1597 1 9 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.733 -0.609 25302 1598 1 9 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.886 0.485 25302 1599 1 9 . 1 1 11 11 CYS N N 11 117.256 117.256 119.818 -2.562 25302 1600 1 9 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.796 -0.402 25302 1601 1 9 . 1 1 11 11 CYS C C 11 175.560 175.560 175.748 -0.188 25302 1602 1 9 . 1 1 11 11 CYS CA C 11 55.442 55.442 57.208 -1.766 25302 1603 1 9 . 1 1 11 11 CYS CB C 11 40.671 40.671 26.794 13.877 25302 1604 1 9 . 1 1 11 11 CYS H H 11 7.440 7.440 8.090 -0.650 25302 1605 1 9 . 1 1 12 12 CYS N N 12 122.475 122.475 123.515 -1.040 25302 1606 1 9 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.746 -0.118 25302 1607 1 9 . 1 1 12 12 CYS C C 12 174.330 174.330 175.272 -0.942 25302 1608 1 9 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.510 -4.275 25302 1609 1 9 . 1 1 12 12 CYS CB C 12 40.251 40.251 28.317 11.934 25302 1610 1 9 . 1 1 12 12 CYS H H 12 9.249 9.249 8.591 0.658 25302 1611 1 9 . 1 1 13 13 GLY N N 13 110.237 110.237 109.466 0.771 25302 1612 1 9 . 1 1 13 13 GLY C C 13 173.730 173.730 174.177 -0.447 25302 1613 1 9 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.429 0.346 25302 1614 1 9 . 1 1 13 13 GLY H H 13 8.676 8.676 8.285 0.391 25302 1615 1 9 . 1 1 14 14 ARG N N 14 123.065 123.065 125.009 -1.944 25302 1616 1 9 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.373 0.296 25302 1617 1 9 . 1 1 14 14 ARG C C 14 176.773 176.773 176.005 0.768 25302 1618 1 9 . 1 1 14 14 ARG CA C 14 53.641 53.641 53.901 -0.260 25302 1619 1 9 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.514 2.217 25302 1620 1 9 . 1 1 14 14 ARG H H 14 8.255 8.255 8.124 0.131 25302 1621 1 9 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.289 -0.066 25302 1622 1 9 . 1 1 15 15 PRO C C 15 176.628 176.628 177.097 -0.469 25302 1623 1 9 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.607 0.635 25302 1624 1 9 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.794 -0.068 25302 1625 1 9 . 1 1 16 16 ASP N N 16 113.958 113.958 114.693 -0.735 25302 1626 1 9 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.519 -0.145 25302 1627 1 9 . 1 1 16 16 ASP C C 16 176.667 176.667 177.022 -0.355 25302 1628 1 9 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.355 -0.999 25302 1629 1 9 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.566 -1.008 25302 1630 1 9 . 1 1 16 16 ASP H H 16 7.732 7.732 8.396 -0.664 25302 1631 1 9 . 1 1 17 17 GLY N N 17 108.298 108.298 105.905 2.393 25302 1632 1 9 . 1 1 17 17 GLY C C 17 174.120 174.120 173.916 0.204 25302 1633 1 9 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.504 0.097 25302 1634 1 9 . 1 1 17 17 GLY H H 17 8.123 8.123 7.634 0.489 25302 1635 1 9 . 1 1 18 18 ALA N N 18 123.792 123.792 124.928 -1.136 25302 1636 1 9 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.306 -0.156 25302 1637 1 9 . 1 1 18 18 ALA C C 18 176.098 176.098 177.169 -1.071 25302 1638 1 9 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.976 0.364 25302 1639 1 9 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.251 -0.025 25302 1640 1 9 . 1 1 18 18 ALA H H 18 7.572 7.572 7.849 -0.277 25302 1641 1 9 . 1 1 19 19 LYS N N 19 119.628 119.628 125.868 -6.240 25302 1642 1 9 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.367 0.684 25302 1643 1 9 . 1 1 19 19 LYS C C 19 176.655 176.655 176.009 0.646 25302 1644 1 9 . 1 1 19 19 LYS CA C 19 54.505 54.505 56.278 -1.773 25302 1645 1 9 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.241 3.574 25302 1646 1 9 . 1 1 19 19 LYS H H 19 7.970 7.970 8.562 -0.592 25302 1647 1 9 . 1 1 20 20 VAL N N 20 116.531 116.531 127.191 -10.660 25302 1648 1 9 . 1 1 20 20 VAL HA H 20 4.617 4.617 3.991 0.626 25302 1649 1 9 . 1 1 20 20 VAL C C 20 174.216 174.216 174.515 -0.299 25302 1650 1 9 . 1 1 20 20 VAL CA C 20 60.059 60.059 63.047 -2.988 25302 1651 1 9 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.828 4.734 25302 1652 1 9 . 1 1 20 20 VAL H H 20 8.757 8.757 8.628 0.129 25302 1653 1 9 . 1 1 21 21 CYS N N 21 119.357 119.357 125.321 -5.964 25302 1654 1 9 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.944 -0.092 25302 1655 1 9 . 1 1 21 21 CYS C C 21 172.912 172.912 173.858 -0.946 25302 1656 1 9 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.747 -2.736 25302 1657 1 9 . 1 1 21 21 CYS CB C 21 46.324 46.324 31.220 15.104 25302 1658 1 9 . 1 1 21 21 CYS H H 21 8.386 8.386 8.511 -0.125 25302 1659 1 9 . 1 1 22 22 ASN N N 22 121.561 121.561 121.574 -0.013 25302 1660 1 9 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.808 -0.295 25302 1661 1 9 . 1 1 22 22 ASN C C 22 174.084 174.084 174.695 -0.611 25302 1662 1 9 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.876 -0.334 25302 1663 1 9 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.652 -1.709 25302 1664 1 9 . 1 1 22 22 ASN H H 22 9.693 9.693 8.975 0.718 25302 1665 1 9 . 1 1 23 23 ASP N N 23 121.712 121.712 120.535 1.177 25302 1666 1 9 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.529 -0.220 25302 1667 1 9 . 1 1 23 23 ASP C C 23 174.448 174.448 175.324 -0.876 25302 1668 1 9 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.646 0.684 25302 1669 1 9 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.098 -0.898 25302 1670 1 9 . 1 1 23 23 ASP H H 23 8.321 8.321 8.535 -0.214 25302 1671 1 9 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.452 -0.087 25302 1672 1 9 . 1 1 24 24 PRO C C 24 174.513 174.513 175.948 -1.435 25302 1673 1 9 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.301 1.324 25302 1674 1 9 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.651 1.216 25302 1675 1 9 . 1 1 25 25 TRP N N 25 125.765 125.765 120.562 5.203 25302 1676 1 9 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.580 0.130 25302 1677 1 9 . 1 1 25 25 TRP C C 25 174.307 174.307 176.386 -2.079 25302 1678 1 9 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.943 -0.210 25302 1679 1 9 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.427 0.624 25302 1680 1 9 . 1 1 25 25 TRP H H 25 8.334 8.334 7.066 1.268 25302 1681 1 9 . 1 1 26 26 VAL N N 26 114.147 114.147 123.189 -9.042 25302 1682 1 9 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.424 -0.053 25302 1683 1 9 . 1 1 26 26 VAL C C 26 174.295 174.295 175.634 -1.339 25302 1684 1 9 . 1 1 26 26 VAL CA C 26 59.163 59.163 60.630 -1.467 25302 1685 1 9 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.385 -0.107 25302 1686 1 9 . 1 1 26 26 VAL H H 26 8.952 8.952 8.862 0.090 25302 1687 1 9 . 1 1 27 27 CYS N N 27 122.366 122.366 128.733 -6.367 25302 1688 1 9 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.641 -0.277 25302 1689 1 9 . 1 1 27 27 CYS C C 27 174.268 174.268 175.294 -1.026 25302 1690 1 9 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.430 -1.774 25302 1691 1 9 . 1 1 27 27 CYS CB C 27 39.867 39.867 25.696 14.171 25302 1692 1 9 . 1 1 27 27 CYS H H 27 8.747 8.747 9.041 -0.294 25302 1693 1 9 . 1 1 28 28 ILE N N 28 133.803 133.803 129.930 3.873 25302 1694 1 9 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.246 -0.114 25302 1695 1 9 . 1 1 28 28 ILE C C 28 177.492 177.492 176.115 1.377 25302 1696 1 9 . 1 1 28 28 ILE CA C 28 58.495 58.495 59.922 -1.427 25302 1697 1 9 . 1 1 28 28 ILE CB C 28 34.518 34.518 36.353 -1.835 25302 1698 1 9 . 1 1 28 28 ILE H H 28 8.763 8.763 8.794 -0.031 25302 1699 1 9 . 1 1 29 29 LEU N N 29 128.360 128.360 130.503 -2.143 25302 1700 1 9 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.141 -0.274 25302 1701 1 9 . 1 1 29 29 LEU C C 29 179.282 179.282 178.395 0.887 25302 1702 1 9 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.672 0.372 25302 1703 1 9 . 1 1 29 29 LEU CB C 29 41.222 41.222 39.945 1.277 25302 1704 1 9 . 1 1 29 29 LEU H H 29 8.452 8.452 8.881 -0.429 25302 1705 1 9 . 1 1 30 30 THR N N 30 108.140 108.140 113.966 -5.826 25302 1706 1 9 . 1 1 30 30 THR HA H 30 3.929 3.929 4.124 -0.195 25302 1707 1 9 . 1 1 30 30 THR C C 30 175.393 175.393 175.305 0.088 25302 1708 1 9 . 1 1 30 30 THR CA C 30 64.119 64.119 64.977 -0.858 25302 1709 1 9 . 1 1 30 30 THR CB C 30 67.994 67.994 68.851 -0.857 25302 1710 1 9 . 1 1 30 30 THR H H 30 7.589 7.589 8.302 -0.713 25302 1711 1 9 . 1 1 31 31 SER N N 31 112.240 112.240 114.961 -2.721 25302 1712 1 9 . 1 1 31 31 SER HA H 31 4.446 4.446 4.627 -0.181 25302 1713 1 9 . 1 1 31 31 SER C C 31 174.912 174.912 174.440 0.472 25302 1714 1 9 . 1 1 31 31 SER CA C 31 56.859 56.859 58.262 -1.403 25302 1715 1 9 . 1 1 31 31 SER CB C 31 64.760 64.760 63.869 0.891 25302 1716 1 9 . 1 1 31 31 SER H H 31 7.002 7.002 7.696 -0.694 25302 1717 1 9 . 1 1 32 32 SER N N 32 118.529 118.529 115.304 3.225 25302 1718 1 9 . 1 1 32 32 SER HA H 32 3.604 3.604 4.055 -0.451 25302 1719 1 9 . 1 1 32 32 SER C C 32 174.998 174.998 173.171 1.827 25302 1720 1 9 . 1 1 32 32 SER CA C 32 59.523 59.523 59.807 -0.284 25302 1721 1 9 . 1 1 32 32 SER CB C 32 62.111 62.111 61.045 1.066 25302 1722 1 9 . 1 1 32 32 SER H H 32 8.558 8.558 8.181 0.377 25302 1723 1 9 . 1 1 33 33 ARG N N 33 117.830 117.830 114.197 3.633 25302 1724 1 9 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.778 0.046 25302 1725 1 9 . 1 1 33 33 ARG C C 33 175.115 175.115 175.077 0.038 25302 1726 1 9 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.799 -0.379 25302 1727 1 9 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.373 1.163 25302 1728 1 9 . 1 1 33 33 ARG H H 33 7.215 7.215 7.490 -0.275 25302 1729 1 9 . 1 1 34 34 CYS N N 34 120.813 120.813 121.604 -0.791 25302 1730 1 9 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.651 0.409 25302 1731 1 9 . 1 1 34 34 CYS C C 34 175.041 175.041 174.225 0.816 25302 1732 1 9 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.792 -6.097 25302 1733 1 9 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.870 16.239 25302 1734 1 9 . 1 1 34 34 CYS H H 34 8.284 8.284 8.714 -0.430 25302 1735 1 9 . 1 1 35 35 GLU N N 35 123.396 123.396 125.761 -2.365 25302 1736 1 9 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.570 0.185 25302 1737 1 9 . 1 1 35 35 GLU C C 35 175.069 175.069 174.782 0.287 25302 1738 1 9 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.126 0.215 25302 1739 1 9 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.863 -0.700 25302 1740 1 9 . 1 1 35 35 GLU H H 35 9.226 9.226 8.485 0.741 25302 1741 1 9 . 1 1 36 36 ASN N N 36 118.081 118.081 120.600 -2.519 25302 1742 1 9 . 1 1 36 36 ASN HA H 36 5.089 5.089 4.962 0.127 25302 1743 1 9 . 1 1 36 36 ASN C C 36 172.567 172.567 174.350 -1.783 25302 1744 1 9 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.913 -0.459 25302 1745 1 9 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.704 0.694 25302 1746 1 9 . 1 1 36 36 ASN H H 36 8.540 8.540 8.733 -0.193 25302 1747 1 10 . 1 1 2 2 GLY N N 2 109.171 109.171 110.142 -0.971 25302 1748 1 10 . 1 1 2 2 GLY C C 2 173.848 173.848 174.207 -0.359 25302 1749 1 10 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.498 -0.319 25302 1750 1 10 . 1 1 2 2 GLY H H 2 8.599 8.599 8.738 -0.139 25302 1751 1 10 . 1 1 3 3 GLU N N 3 120.814 120.814 118.633 2.181 25302 1752 1 10 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.731 -0.616 25302 1753 1 10 . 1 1 3 3 GLU C C 3 175.221 175.221 174.623 0.598 25302 1754 1 10 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.073 2.075 25302 1755 1 10 . 1 1 3 3 GLU CB C 3 29.301 29.301 32.465 -3.164 25302 1756 1 10 . 1 1 3 3 GLU H H 3 8.477 8.477 7.816 0.661 25302 1757 1 10 . 1 1 4 4 CYS N N 4 115.823 115.823 115.389 0.434 25302 1758 1 10 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.079 -0.173 25302 1759 1 10 . 1 1 4 4 CYS C C 4 174.789 174.789 174.489 0.300 25302 1760 1 10 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.601 -3.478 25302 1761 1 10 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.900 16.690 25302 1762 1 10 . 1 1 4 4 CYS H H 4 8.050 8.050 8.477 -0.427 25302 1763 1 10 . 1 1 5 5 GLY N N 5 105.602 105.602 111.392 -5.790 25302 1764 1 10 . 1 1 5 5 GLY C C 5 173.331 173.331 172.872 0.459 25302 1765 1 10 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.292 2.397 25302 1766 1 10 . 1 1 5 5 GLY H H 5 8.272 8.272 8.770 -0.498 25302 1767 1 10 . 1 1 6 6 ASP N N 6 119.525 119.525 118.098 1.427 25302 1768 1 10 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.966 0.210 25302 1769 1 10 . 1 1 6 6 ASP C C 6 174.303 174.303 175.272 -0.969 25302 1770 1 10 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.336 -0.512 25302 1771 1 10 . 1 1 6 6 ASP CB C 6 41.453 41.453 43.804 -2.351 25302 1772 1 10 . 1 1 6 6 ASP H H 6 7.399 7.399 7.494 -0.095 25302 1773 1 10 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.774 -1.384 25302 1774 1 10 . 1 1 7 7 LYS C C 7 176.491 176.491 176.270 0.221 25302 1775 1 10 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.908 -0.000 25302 1776 1 10 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.072 0.243 25302 1777 1 10 . 1 1 8 8 ASP N N 8 118.123 118.123 120.049 -1.926 25302 1778 1 10 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.173 -0.200 25302 1779 1 10 . 1 1 8 8 ASP C C 8 174.603 174.603 174.960 -0.357 25302 1780 1 10 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.861 0.739 25302 1781 1 10 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.668 -0.542 25302 1782 1 10 . 1 1 8 8 ASP H H 8 8.763 8.763 8.706 0.057 25302 1783 1 10 . 1 1 9 9 GLU N N 9 119.080 119.080 119.991 -0.911 25302 1784 1 10 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.680 -0.213 25302 1785 1 10 . 1 1 9 9 GLU C C 9 172.723 172.723 174.502 -1.779 25302 1786 1 10 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.658 0.798 25302 1787 1 10 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.158 -3.649 25302 1788 1 10 . 1 1 9 9 GLU H H 9 7.842 7.842 7.768 0.074 25302 1789 1 10 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.528 0.360 25302 1790 1 10 . 1 1 10 10 PRO C C 10 175.963 175.963 176.452 -0.489 25302 1791 1 10 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.986 -0.862 25302 1792 1 10 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.278 1.093 25302 1793 1 10 . 1 1 11 11 CYS N N 11 117.256 117.256 120.332 -3.076 25302 1794 1 10 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.698 -0.304 25302 1795 1 10 . 1 1 11 11 CYS C C 11 175.560 175.560 176.224 -0.664 25302 1796 1 10 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.903 -1.461 25302 1797 1 10 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.270 13.402 25302 1798 1 10 . 1 1 11 11 CYS H H 11 7.440 7.440 7.984 -0.544 25302 1799 1 10 . 1 1 12 12 CYS N N 12 122.475 122.475 123.838 -1.363 25302 1800 1 10 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.644 -0.016 25302 1801 1 10 . 1 1 12 12 CYS C C 12 174.330 174.330 175.187 -0.857 25302 1802 1 10 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.004 -3.769 25302 1803 1 10 . 1 1 12 12 CYS CB C 12 40.251 40.251 26.064 14.187 25302 1804 1 10 . 1 1 12 12 CYS H H 12 9.249 9.249 8.729 0.520 25302 1805 1 10 . 1 1 13 13 GLY N N 13 110.237 110.237 113.108 -2.871 25302 1806 1 10 . 1 1 13 13 GLY C C 13 173.730 173.730 173.984 -0.254 25302 1807 1 10 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.781 -0.006 25302 1808 1 10 . 1 1 13 13 GLY H H 13 8.676 8.676 8.468 0.208 25302 1809 1 10 . 1 1 14 14 ARG N N 14 123.065 123.065 125.975 -2.910 25302 1810 1 10 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.420 0.249 25302 1811 1 10 . 1 1 14 14 ARG C C 14 176.773 176.773 177.034 -0.261 25302 1812 1 10 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.571 -0.930 25302 1813 1 10 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.843 1.887 25302 1814 1 10 . 1 1 14 14 ARG H H 14 8.255 8.255 8.034 0.221 25302 1815 1 10 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.279 -0.056 25302 1816 1 10 . 1 1 15 15 PRO C C 15 176.628 176.628 176.817 -0.189 25302 1817 1 10 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.857 0.385 25302 1818 1 10 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.473 0.253 25302 1819 1 10 . 1 1 16 16 ASP N N 16 113.958 113.958 116.887 -2.929 25302 1820 1 10 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.473 -0.099 25302 1821 1 10 . 1 1 16 16 ASP C C 16 176.667 176.667 176.891 -0.224 25302 1822 1 10 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.356 -1.000 25302 1823 1 10 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.580 -1.022 25302 1824 1 10 . 1 1 16 16 ASP H H 16 7.732 7.732 8.179 -0.447 25302 1825 1 10 . 1 1 17 17 GLY N N 17 108.298 108.298 107.863 0.435 25302 1826 1 10 . 1 1 17 17 GLY C C 17 174.120 174.120 173.510 0.610 25302 1827 1 10 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.564 0.037 25302 1828 1 10 . 1 1 17 17 GLY H H 17 8.123 8.123 7.851 0.272 25302 1829 1 10 . 1 1 18 18 ALA N N 18 123.792 123.792 124.786 -0.994 25302 1830 1 10 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.359 -0.209 25302 1831 1 10 . 1 1 18 18 ALA C C 18 176.098 176.098 177.114 -1.016 25302 1832 1 10 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.635 0.705 25302 1833 1 10 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.069 0.157 25302 1834 1 10 . 1 1 18 18 ALA H H 18 7.572 7.572 7.795 -0.223 25302 1835 1 10 . 1 1 19 19 LYS N N 19 119.628 119.628 126.323 -6.695 25302 1836 1 10 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.207 0.844 25302 1837 1 10 . 1 1 19 19 LYS C C 19 176.655 176.655 175.792 0.863 25302 1838 1 10 . 1 1 19 19 LYS CA C 19 54.505 54.505 56.090 -1.585 25302 1839 1 10 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.600 3.215 25302 1840 1 10 . 1 1 19 19 LYS H H 19 7.970 7.970 8.543 -0.573 25302 1841 1 10 . 1 1 20 20 VAL N N 20 116.531 116.531 126.646 -10.115 25302 1842 1 10 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.026 0.591 25302 1843 1 10 . 1 1 20 20 VAL C C 20 174.216 174.216 174.817 -0.601 25302 1844 1 10 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.542 -2.483 25302 1845 1 10 . 1 1 20 20 VAL CB C 20 36.562 36.562 30.631 5.931 25302 1846 1 10 . 1 1 20 20 VAL H H 20 8.757 8.757 8.115 0.642 25302 1847 1 10 . 1 1 21 21 CYS N N 21 119.357 119.357 125.031 -5.674 25302 1848 1 10 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.724 0.128 25302 1849 1 10 . 1 1 21 21 CYS C C 21 172.912 172.912 173.526 -0.614 25302 1850 1 10 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.948 -2.937 25302 1851 1 10 . 1 1 21 21 CYS CB C 21 46.324 46.324 31.151 15.173 25302 1852 1 10 . 1 1 21 21 CYS H H 21 8.386 8.386 8.370 0.016 25302 1853 1 10 . 1 1 22 22 ASN N N 22 121.561 121.561 121.096 0.465 25302 1854 1 10 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.769 -0.256 25302 1855 1 10 . 1 1 22 22 ASN C C 22 174.084 174.084 174.557 -0.473 25302 1856 1 10 . 1 1 22 22 ASN CA C 22 52.542 52.542 53.116 -0.574 25302 1857 1 10 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.642 -1.699 25302 1858 1 10 . 1 1 22 22 ASN H H 22 9.693 9.693 8.913 0.780 25302 1859 1 10 . 1 1 23 23 ASP N N 23 121.712 121.712 120.063 1.649 25302 1860 1 10 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.626 -0.317 25302 1861 1 10 . 1 1 23 23 ASP C C 23 174.448 174.448 175.557 -1.109 25302 1862 1 10 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.322 1.008 25302 1863 1 10 . 1 1 23 23 ASP CB C 23 40.200 40.200 40.663 -0.463 25302 1864 1 10 . 1 1 23 23 ASP H H 23 8.321 8.321 8.428 -0.107 25302 1865 1 10 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.398 -0.033 25302 1866 1 10 . 1 1 24 24 PRO C C 24 174.513 174.513 175.990 -1.477 25302 1867 1 10 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.632 0.993 25302 1868 1 10 . 1 1 24 24 PRO CB C 24 32.867 32.867 32.093 0.774 25302 1869 1 10 . 1 1 25 25 TRP N N 25 125.765 125.765 121.124 4.641 25302 1870 1 10 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.610 0.100 25302 1871 1 10 . 1 1 25 25 TRP C C 25 174.307 174.307 177.055 -2.748 25302 1872 1 10 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.637 0.096 25302 1873 1 10 . 1 1 25 25 TRP CB C 25 30.051 30.051 28.721 1.329 25302 1874 1 10 . 1 1 25 25 TRP H H 25 8.334 8.334 6.946 1.388 25302 1875 1 10 . 1 1 26 26 VAL N N 26 114.147 114.147 117.410 -3.263 25302 1876 1 10 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.601 -0.230 25302 1877 1 10 . 1 1 26 26 VAL C C 26 174.295 174.295 175.571 -1.276 25302 1878 1 10 . 1 1 26 26 VAL CA C 26 59.163 59.163 60.096 -0.933 25302 1879 1 10 . 1 1 26 26 VAL CB C 26 35.278 35.278 34.294 0.984 25302 1880 1 10 . 1 1 26 26 VAL H H 26 8.952 8.952 8.465 0.487 25302 1881 1 10 . 1 1 27 27 CYS N N 27 122.366 122.366 125.888 -3.522 25302 1882 1 10 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.798 -0.433 25302 1883 1 10 . 1 1 27 27 CYS C C 27 174.268 174.268 175.194 -0.926 25302 1884 1 10 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.018 -1.362 25302 1885 1 10 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.318 13.549 25302 1886 1 10 . 1 1 27 27 CYS H H 27 8.747 8.747 8.945 -0.198 25302 1887 1 10 . 1 1 28 28 ILE N N 28 133.803 133.803 130.254 3.549 25302 1888 1 10 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.337 -0.205 25302 1889 1 10 . 1 1 28 28 ILE C C 28 177.492 177.492 175.719 1.773 25302 1890 1 10 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.395 -1.899 25302 1891 1 10 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.527 -4.009 25302 1892 1 10 . 1 1 28 28 ILE H H 28 8.763 8.763 8.619 0.144 25302 1893 1 10 . 1 1 29 29 LEU N N 29 128.360 128.360 128.708 -0.348 25302 1894 1 10 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.182 -0.315 25302 1895 1 10 . 1 1 29 29 LEU C C 29 179.282 179.282 177.698 1.584 25302 1896 1 10 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.166 0.878 25302 1897 1 10 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.808 0.414 25302 1898 1 10 . 1 1 29 29 LEU H H 29 8.452 8.452 8.869 -0.417 25302 1899 1 10 . 1 1 30 30 THR N N 30 108.140 108.140 111.611 -3.471 25302 1900 1 10 . 1 1 30 30 THR HA H 30 3.929 3.929 4.175 -0.246 25302 1901 1 10 . 1 1 30 30 THR C C 30 175.393 175.393 175.872 -0.479 25302 1902 1 10 . 1 1 30 30 THR CA C 30 64.119 64.119 64.539 -0.420 25302 1903 1 10 . 1 1 30 30 THR CB C 30 67.994 67.994 68.859 -0.865 25302 1904 1 10 . 1 1 30 30 THR H H 30 7.589 7.589 8.065 -0.476 25302 1905 1 10 . 1 1 31 31 SER N N 31 112.240 112.240 114.183 -1.943 25302 1906 1 10 . 1 1 31 31 SER HA H 31 4.446 4.446 4.559 -0.113 25302 1907 1 10 . 1 1 31 31 SER C C 31 174.912 174.912 175.198 -0.286 25302 1908 1 10 . 1 1 31 31 SER CA C 31 56.859 56.859 58.301 -1.442 25302 1909 1 10 . 1 1 31 31 SER CB C 31 64.760 64.760 64.346 0.414 25302 1910 1 10 . 1 1 31 31 SER H H 31 7.002 7.002 7.688 -0.686 25302 1911 1 10 . 1 1 32 32 SER N N 32 118.529 118.529 115.003 3.526 25302 1912 1 10 . 1 1 32 32 SER HA H 32 3.604 3.604 4.110 -0.506 25302 1913 1 10 . 1 1 32 32 SER C C 32 174.998 174.998 173.051 1.947 25302 1914 1 10 . 1 1 32 32 SER CA C 32 59.523 59.523 60.075 -0.552 25302 1915 1 10 . 1 1 32 32 SER CB C 32 62.111 62.111 61.932 0.179 25302 1916 1 10 . 1 1 32 32 SER H H 32 8.558 8.558 8.188 0.370 25302 1917 1 10 . 1 1 33 33 ARG N N 33 117.830 117.830 115.089 2.741 25302 1918 1 10 . 1 1 33 33 ARG HA H 33 4.824 4.824 5.010 -0.186 25302 1919 1 10 . 1 1 33 33 ARG C C 33 175.115 175.115 175.267 -0.152 25302 1920 1 10 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.744 -0.324 25302 1921 1 10 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.414 1.122 25302 1922 1 10 . 1 1 33 33 ARG H H 33 7.215 7.215 7.467 -0.252 25302 1923 1 10 . 1 1 34 34 CYS N N 34 120.813 120.813 120.504 0.309 25302 1924 1 10 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.741 0.319 25302 1925 1 10 . 1 1 34 34 CYS C C 34 175.041 175.041 174.245 0.796 25302 1926 1 10 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.631 -5.936 25302 1927 1 10 . 1 1 34 34 CYS CB C 34 41.109 41.109 26.102 15.007 25302 1928 1 10 . 1 1 34 34 CYS H H 34 8.284 8.284 8.548 -0.264 25302 1929 1 10 . 1 1 35 35 GLU N N 35 123.396 123.396 121.942 1.454 25302 1930 1 10 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.415 0.340 25302 1931 1 10 . 1 1 35 35 GLU C C 35 175.069 175.069 174.278 0.791 25302 1932 1 10 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.867 -0.526 25302 1933 1 10 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.859 -0.696 25302 1934 1 10 . 1 1 35 35 GLU H H 35 9.226 9.226 8.762 0.464 25302 1935 1 10 . 1 1 36 36 ASN N N 36 118.081 118.081 120.080 -1.999 25302 1936 1 10 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.197 -0.108 25302 1937 1 10 . 1 1 36 36 ASN C C 36 172.567 172.567 173.566 -0.999 25302 1938 1 10 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.879 -0.425 25302 1939 1 10 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.041 0.357 25302 1940 1 10 . 1 1 36 36 ASN H H 36 8.540 8.540 8.394 0.146 25302 1941 1 11 . 1 1 2 2 GLY N N 2 109.171 109.171 111.418 -2.247 25302 1942 1 11 . 1 1 2 2 GLY C C 2 173.848 173.848 174.194 -0.346 25302 1943 1 11 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.354 -0.175 25302 1944 1 11 . 1 1 2 2 GLY H H 2 8.599 8.599 8.648 -0.049 25302 1945 1 11 . 1 1 3 3 GLU N N 3 120.814 120.814 120.475 0.339 25302 1946 1 11 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.511 -0.396 25302 1947 1 11 . 1 1 3 3 GLU C C 3 175.221 175.221 175.974 -0.753 25302 1948 1 11 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.136 2.012 25302 1949 1 11 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.041 -1.740 25302 1950 1 11 . 1 1 3 3 GLU H H 3 8.477 8.477 7.965 0.512 25302 1951 1 11 . 1 1 4 4 CYS N N 4 115.823 115.823 116.501 -0.678 25302 1952 1 11 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.042 -0.136 25302 1953 1 11 . 1 1 4 4 CYS C C 4 174.789 174.789 175.898 -1.109 25302 1954 1 11 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.708 -3.585 25302 1955 1 11 . 1 1 4 4 CYS CB C 4 46.590 46.590 27.751 18.839 25302 1956 1 11 . 1 1 4 4 CYS H H 4 8.050 8.050 8.540 -0.490 25302 1957 1 11 . 1 1 5 5 GLY N N 5 105.602 105.602 113.324 -7.722 25302 1958 1 11 . 1 1 5 5 GLY C C 5 173.331 173.331 173.454 -0.123 25302 1959 1 11 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.144 2.545 25302 1960 1 11 . 1 1 5 5 GLY H H 5 8.272 8.272 8.655 -0.383 25302 1961 1 11 . 1 1 6 6 ASP N N 6 119.525 119.525 119.554 -0.029 25302 1962 1 11 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.802 0.374 25302 1963 1 11 . 1 1 6 6 ASP C C 6 174.303 174.303 175.562 -1.259 25302 1964 1 11 . 1 1 6 6 ASP CA C 6 51.824 51.824 53.100 -1.276 25302 1965 1 11 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.114 -0.661 25302 1966 1 11 . 1 1 6 6 ASP H H 6 7.399 7.399 7.957 -0.558 25302 1967 1 11 . 1 1 7 7 LYS HA H 7 2.390 2.390 4.003 -1.613 25302 1968 1 11 . 1 1 7 7 LYS C C 7 176.491 176.491 176.786 -0.295 25302 1969 1 11 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.316 0.593 25302 1970 1 11 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.609 -0.294 25302 1971 1 11 . 1 1 8 8 ASP N N 8 118.123 118.123 122.790 -4.667 25302 1972 1 11 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.265 -0.292 25302 1973 1 11 . 1 1 8 8 ASP C C 8 174.603 174.603 175.054 -0.451 25302 1974 1 11 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.784 0.816 25302 1975 1 11 . 1 1 8 8 ASP CB C 8 39.126 39.126 40.072 -0.946 25302 1976 1 11 . 1 1 8 8 ASP H H 8 8.763 8.763 8.169 0.594 25302 1977 1 11 . 1 1 9 9 GLU N N 9 119.080 119.080 119.747 -0.667 25302 1978 1 11 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.747 -0.280 25302 1979 1 11 . 1 1 9 9 GLU C C 9 172.723 172.723 174.259 -1.536 25302 1980 1 11 . 1 1 9 9 GLU CA C 9 53.456 53.456 53.340 0.116 25302 1981 1 11 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.120 -3.611 25302 1982 1 11 . 1 1 9 9 GLU H H 9 7.842 7.842 7.638 0.204 25302 1983 1 11 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.473 0.415 25302 1984 1 11 . 1 1 10 10 PRO C C 10 175.963 175.963 176.383 -0.420 25302 1985 1 11 . 1 1 10 10 PRO CA C 10 62.124 62.124 63.110 -0.986 25302 1986 1 11 . 1 1 10 10 PRO CB C 10 32.371 32.371 30.988 1.383 25302 1987 1 11 . 1 1 11 11 CYS N N 11 117.256 117.256 120.073 -2.817 25302 1988 1 11 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.614 -0.220 25302 1989 1 11 . 1 1 11 11 CYS C C 11 175.560 175.560 175.700 -0.140 25302 1990 1 11 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.990 -1.548 25302 1991 1 11 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.999 12.672 25302 1992 1 11 . 1 1 11 11 CYS H H 11 7.440 7.440 8.181 -0.741 25302 1993 1 11 . 1 1 12 12 CYS N N 12 122.475 122.475 122.274 0.201 25302 1994 1 11 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.722 -0.094 25302 1995 1 11 . 1 1 12 12 CYS C C 12 174.330 174.330 174.309 0.021 25302 1996 1 11 . 1 1 12 12 CYS CA C 12 53.235 53.235 56.522 -3.287 25302 1997 1 11 . 1 1 12 12 CYS CB C 12 40.251 40.251 29.230 11.021 25302 1998 1 11 . 1 1 12 12 CYS H H 12 9.249 9.249 8.719 0.530 25302 1999 1 11 . 1 1 13 13 GLY N N 13 110.237 110.237 109.600 0.637 25302 2000 1 11 . 1 1 13 13 GLY C C 13 173.730 173.730 173.624 0.106 25302 2001 1 11 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.340 0.436 25302 2002 1 11 . 1 1 13 13 GLY H H 13 8.676 8.676 8.477 0.199 25302 2003 1 11 . 1 1 14 14 ARG N N 14 123.065 123.065 123.816 -0.751 25302 2004 1 11 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.606 0.063 25302 2005 1 11 . 1 1 14 14 ARG C C 14 176.773 176.773 176.292 0.481 25302 2006 1 11 . 1 1 14 14 ARG CA C 14 53.641 53.641 53.344 0.297 25302 2007 1 11 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.405 2.326 25302 2008 1 11 . 1 1 14 14 ARG H H 14 8.255 8.255 8.581 -0.326 25302 2009 1 11 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.374 -0.151 25302 2010 1 11 . 1 1 15 15 PRO C C 15 176.628 176.628 176.733 -0.105 25302 2011 1 11 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.937 0.305 25302 2012 1 11 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.736 -0.010 25302 2013 1 11 . 1 1 16 16 ASP N N 16 113.958 113.958 115.632 -1.674 25302 2014 1 11 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.545 -0.171 25302 2015 1 11 . 1 1 16 16 ASP C C 16 176.667 176.667 176.885 -0.218 25302 2016 1 11 . 1 1 16 16 ASP CA C 16 53.356 53.356 53.867 -0.511 25302 2017 1 11 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.312 -0.754 25302 2018 1 11 . 1 1 16 16 ASP H H 16 7.732 7.732 8.188 -0.456 25302 2019 1 11 . 1 1 17 17 GLY N N 17 108.298 108.298 106.626 1.672 25302 2020 1 11 . 1 1 17 17 GLY C C 17 174.120 174.120 174.071 0.049 25302 2021 1 11 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.671 -0.070 25302 2022 1 11 . 1 1 17 17 GLY H H 17 8.123 8.123 7.773 0.350 25302 2023 1 11 . 1 1 18 18 ALA N N 18 123.792 123.792 124.159 -0.367 25302 2024 1 11 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.377 -0.227 25302 2025 1 11 . 1 1 18 18 ALA C C 18 176.098 176.098 176.888 -0.790 25302 2026 1 11 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.974 0.366 25302 2027 1 11 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.677 -0.451 25302 2028 1 11 . 1 1 18 18 ALA H H 18 7.572 7.572 7.666 -0.094 25302 2029 1 11 . 1 1 19 19 LYS N N 19 119.628 119.628 124.244 -4.616 25302 2030 1 11 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.354 0.697 25302 2031 1 11 . 1 1 19 19 LYS C C 19 176.655 176.655 176.373 0.282 25302 2032 1 11 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.156 -0.651 25302 2033 1 11 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.238 3.577 25302 2034 1 11 . 1 1 19 19 LYS H H 19 7.970 7.970 8.482 -0.512 25302 2035 1 11 . 1 1 20 20 VAL N N 20 116.531 116.531 126.483 -9.952 25302 2036 1 11 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.093 0.524 25302 2037 1 11 . 1 1 20 20 VAL C C 20 174.216 174.216 174.654 -0.438 25302 2038 1 11 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.569 -2.510 25302 2039 1 11 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.546 5.016 25302 2040 1 11 . 1 1 20 20 VAL H H 20 8.757 8.757 8.485 0.272 25302 2041 1 11 . 1 1 21 21 CYS N N 21 119.357 119.357 125.149 -5.792 25302 2042 1 11 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.748 0.104 25302 2043 1 11 . 1 1 21 21 CYS C C 21 172.912 172.912 173.551 -0.639 25302 2044 1 11 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.764 -2.753 25302 2045 1 11 . 1 1 21 21 CYS CB C 21 46.324 46.324 31.314 15.010 25302 2046 1 11 . 1 1 21 21 CYS H H 21 8.386 8.386 8.455 -0.069 25302 2047 1 11 . 1 1 22 22 ASN N N 22 121.561 121.561 120.960 0.601 25302 2048 1 11 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.780 -0.267 25302 2049 1 11 . 1 1 22 22 ASN C C 22 174.084 174.084 174.919 -0.835 25302 2050 1 11 . 1 1 22 22 ASN CA C 22 52.542 52.542 53.185 -0.644 25302 2051 1 11 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.422 -1.479 25302 2052 1 11 . 1 1 22 22 ASN H H 22 9.693 9.693 8.910 0.783 25302 2053 1 11 . 1 1 23 23 ASP N N 23 121.712 121.712 121.589 0.123 25302 2054 1 11 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.526 -0.217 25302 2055 1 11 . 1 1 23 23 ASP C C 23 174.448 174.448 175.557 -1.109 25302 2056 1 11 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.959 0.371 25302 2057 1 11 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.297 -1.097 25302 2058 1 11 . 1 1 23 23 ASP H H 23 8.321 8.321 8.610 -0.289 25302 2059 1 11 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.485 -0.120 25302 2060 1 11 . 1 1 24 24 PRO C C 24 174.513 174.513 175.942 -1.429 25302 2061 1 11 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.120 1.505 25302 2062 1 11 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.822 1.045 25302 2063 1 11 . 1 1 25 25 TRP N N 25 125.765 125.765 120.481 5.284 25302 2064 1 11 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.540 0.170 25302 2065 1 11 . 1 1 25 25 TRP C C 25 174.307 174.307 176.931 -2.624 25302 2066 1 11 . 1 1 25 25 TRP CA C 25 56.733 56.733 57.337 -0.604 25302 2067 1 11 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.467 0.584 25302 2068 1 11 . 1 1 25 25 TRP H H 25 8.334 8.334 7.145 1.189 25302 2069 1 11 . 1 1 26 26 VAL N N 26 114.147 114.147 116.813 -2.666 25302 2070 1 11 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.693 -0.322 25302 2071 1 11 . 1 1 26 26 VAL C C 26 174.295 174.295 174.973 -0.678 25302 2072 1 11 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.867 -0.704 25302 2073 1 11 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.054 0.224 25302 2074 1 11 . 1 1 26 26 VAL H H 26 8.952 8.952 8.560 0.392 25302 2075 1 11 . 1 1 27 27 CYS N N 27 122.366 122.366 125.346 -2.980 25302 2076 1 11 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.842 -0.477 25302 2077 1 11 . 1 1 27 27 CYS C C 27 174.268 174.268 175.403 -1.135 25302 2078 1 11 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.172 -1.516 25302 2079 1 11 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.043 13.824 25302 2080 1 11 . 1 1 27 27 CYS H H 27 8.747 8.747 8.783 -0.036 25302 2081 1 11 . 1 1 28 28 ILE N N 28 133.803 133.803 130.697 3.106 25302 2082 1 11 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.133 -0.001 25302 2083 1 11 . 1 1 28 28 ILE C C 28 177.492 177.492 176.561 0.931 25302 2084 1 11 . 1 1 28 28 ILE CA C 28 58.495 58.495 61.016 -2.521 25302 2085 1 11 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.482 -3.964 25302 2086 1 11 . 1 1 28 28 ILE H H 28 8.763 8.763 8.439 0.324 25302 2087 1 11 . 1 1 29 29 LEU N N 29 128.360 128.360 130.211 -1.851 25302 2088 1 11 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.157 -0.290 25302 2089 1 11 . 1 1 29 29 LEU C C 29 179.282 179.282 177.986 1.296 25302 2090 1 11 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.336 0.708 25302 2091 1 11 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.347 0.875 25302 2092 1 11 . 1 1 29 29 LEU H H 29 8.452 8.452 8.857 -0.405 25302 2093 1 11 . 1 1 30 30 THR N N 30 108.140 108.140 114.782 -6.642 25302 2094 1 11 . 1 1 30 30 THR HA H 30 3.929 3.929 4.133 -0.204 25302 2095 1 11 . 1 1 30 30 THR C C 30 175.393 175.393 175.701 -0.308 25302 2096 1 11 . 1 1 30 30 THR CA C 30 64.119 64.119 64.762 -0.643 25302 2097 1 11 . 1 1 30 30 THR CB C 30 67.994 67.994 68.814 -0.820 25302 2098 1 11 . 1 1 30 30 THR H H 30 7.589 7.589 8.234 -0.645 25302 2099 1 11 . 1 1 31 31 SER N N 31 112.240 112.240 115.664 -3.424 25302 2100 1 11 . 1 1 31 31 SER HA H 31 4.446 4.446 4.498 -0.052 25302 2101 1 11 . 1 1 31 31 SER C C 31 174.912 174.912 174.697 0.215 25302 2102 1 11 . 1 1 31 31 SER CA C 31 56.859 56.859 58.645 -1.786 25302 2103 1 11 . 1 1 31 31 SER CB C 31 64.760 64.760 63.812 0.948 25302 2104 1 11 . 1 1 31 31 SER H H 31 7.002 7.002 7.775 -0.773 25302 2105 1 11 . 1 1 32 32 SER N N 32 118.529 118.529 114.854 3.675 25302 2106 1 11 . 1 1 32 32 SER HA H 32 3.604 3.604 4.098 -0.494 25302 2107 1 11 . 1 1 32 32 SER C C 32 174.998 174.998 173.319 1.679 25302 2108 1 11 . 1 1 32 32 SER CA C 32 59.523 59.523 59.780 -0.257 25302 2109 1 11 . 1 1 32 32 SER CB C 32 62.111 62.111 61.184 0.927 25302 2110 1 11 . 1 1 32 32 SER H H 32 8.558 8.558 8.261 0.297 25302 2111 1 11 . 1 1 33 33 ARG N N 33 117.830 117.830 114.728 3.102 25302 2112 1 11 . 1 1 33 33 ARG HA H 33 4.824 4.824 5.059 -0.235 25302 2113 1 11 . 1 1 33 33 ARG C C 33 175.115 175.115 175.399 -0.284 25302 2114 1 11 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.639 -0.219 25302 2115 1 11 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.480 1.056 25302 2116 1 11 . 1 1 33 33 ARG H H 33 7.215 7.215 7.393 -0.178 25302 2117 1 11 . 1 1 34 34 CYS N N 34 120.813 120.813 122.171 -1.358 25302 2118 1 11 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.935 0.125 25302 2119 1 11 . 1 1 34 34 CYS C C 34 175.041 175.041 174.893 0.148 25302 2120 1 11 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.230 -5.535 25302 2121 1 11 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.023 16.087 25302 2122 1 11 . 1 1 34 34 CYS H H 34 8.284 8.284 8.618 -0.334 25302 2123 1 11 . 1 1 35 35 GLU N N 35 123.396 123.396 124.987 -1.591 25302 2124 1 11 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.582 0.173 25302 2125 1 11 . 1 1 35 35 GLU C C 35 175.069 175.069 175.022 0.047 25302 2126 1 11 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.700 -0.359 25302 2127 1 11 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.658 -0.495 25302 2128 1 11 . 1 1 35 35 GLU H H 35 9.226 9.226 8.851 0.375 25302 2129 1 11 . 1 1 36 36 ASN N N 36 118.081 118.081 117.543 0.538 25302 2130 1 11 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.186 -0.097 25302 2131 1 11 . 1 1 36 36 ASN C C 36 172.567 172.567 173.559 -0.992 25302 2132 1 11 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.725 -0.271 25302 2133 1 11 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.239 0.159 25302 2134 1 11 . 1 1 36 36 ASN H H 36 8.540 8.540 8.773 -0.233 25302 2135 1 12 . 1 1 2 2 GLY N N 2 109.171 109.171 110.967 -1.796 25302 2136 1 12 . 1 1 2 2 GLY C C 2 173.848 173.848 174.814 -0.966 25302 2137 1 12 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.028 0.151 25302 2138 1 12 . 1 1 2 2 GLY H H 2 8.599 8.599 8.563 0.036 25302 2139 1 12 . 1 1 3 3 GLU N N 3 120.814 120.814 120.344 0.470 25302 2140 1 12 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.738 -0.623 25302 2141 1 12 . 1 1 3 3 GLU C C 3 175.221 175.221 175.449 -0.228 25302 2142 1 12 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.669 1.479 25302 2143 1 12 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.200 -1.899 25302 2144 1 12 . 1 1 3 3 GLU H H 3 8.477 8.477 8.106 0.371 25302 2145 1 12 . 1 1 4 4 CYS N N 4 115.823 115.823 114.243 1.580 25302 2146 1 12 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.212 -0.306 25302 2147 1 12 . 1 1 4 4 CYS C C 4 174.789 174.789 174.826 -0.037 25302 2148 1 12 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.577 -3.454 25302 2149 1 12 . 1 1 4 4 CYS CB C 4 46.590 46.590 30.107 16.483 25302 2150 1 12 . 1 1 4 4 CYS H H 4 8.050 8.050 8.303 -0.253 25302 2151 1 12 . 1 1 5 5 GLY N N 5 105.602 105.602 112.114 -6.512 25302 2152 1 12 . 1 1 5 5 GLY C C 5 173.331 173.331 173.397 -0.066 25302 2153 1 12 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.313 2.376 25302 2154 1 12 . 1 1 5 5 GLY H H 5 8.272 8.272 8.698 -0.426 25302 2155 1 12 . 1 1 6 6 ASP N N 6 119.525 119.525 119.903 -0.378 25302 2156 1 12 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.902 0.274 25302 2157 1 12 . 1 1 6 6 ASP C C 6 174.303 174.303 175.762 -1.459 25302 2158 1 12 . 1 1 6 6 ASP CA C 6 51.824 51.824 53.076 -1.252 25302 2159 1 12 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.478 -1.025 25302 2160 1 12 . 1 1 6 6 ASP H H 6 7.399 7.399 8.001 -0.602 25302 2161 1 12 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.690 -1.300 25302 2162 1 12 . 1 1 7 7 LYS C C 7 176.491 176.491 176.069 0.422 25302 2163 1 12 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.347 0.561 25302 2164 1 12 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.353 -0.038 25302 2165 1 12 . 1 1 8 8 ASP N N 8 118.123 118.123 121.641 -3.518 25302 2166 1 12 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.154 -0.181 25302 2167 1 12 . 1 1 8 8 ASP C C 8 174.603 174.603 175.047 -0.444 25302 2168 1 12 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.476 1.124 25302 2169 1 12 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.670 -0.544 25302 2170 1 12 . 1 1 8 8 ASP H H 8 8.763 8.763 8.315 0.448 25302 2171 1 12 . 1 1 9 9 GLU N N 9 119.080 119.080 118.603 0.477 25302 2172 1 12 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.780 -0.313 25302 2173 1 12 . 1 1 9 9 GLU C C 9 172.723 172.723 174.158 -1.435 25302 2174 1 12 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.663 0.793 25302 2175 1 12 . 1 1 9 9 GLU CB C 9 27.509 27.509 32.143 -4.634 25302 2176 1 12 . 1 1 9 9 GLU H H 9 7.842 7.842 7.683 0.159 25302 2177 1 12 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.638 0.250 25302 2178 1 12 . 1 1 10 10 PRO C C 10 175.963 175.963 176.874 -0.911 25302 2179 1 12 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.845 -0.721 25302 2180 1 12 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.634 0.737 25302 2181 1 12 . 1 1 11 11 CYS N N 11 117.256 117.256 119.781 -2.525 25302 2182 1 12 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.659 -0.265 25302 2183 1 12 . 1 1 11 11 CYS C C 11 175.560 175.560 175.760 -0.200 25302 2184 1 12 . 1 1 11 11 CYS CA C 11 55.442 55.442 57.055 -1.613 25302 2185 1 12 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.620 13.051 25302 2186 1 12 . 1 1 11 11 CYS H H 11 7.440 7.440 8.016 -0.576 25302 2187 1 12 . 1 1 12 12 CYS N N 12 122.475 122.475 122.297 0.178 25302 2188 1 12 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.710 -0.082 25302 2189 1 12 . 1 1 12 12 CYS C C 12 174.330 174.330 174.695 -0.365 25302 2190 1 12 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.295 -4.060 25302 2191 1 12 . 1 1 12 12 CYS CB C 12 40.251 40.251 27.514 12.738 25302 2192 1 12 . 1 1 12 12 CYS H H 12 9.249 9.249 8.497 0.752 25302 2193 1 12 . 1 1 13 13 GLY N N 13 110.237 110.237 110.941 -0.704 25302 2194 1 12 . 1 1 13 13 GLY C C 13 173.730 173.730 174.255 -0.525 25302 2195 1 12 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.606 0.169 25302 2196 1 12 . 1 1 13 13 GLY H H 13 8.676 8.676 8.411 0.265 25302 2197 1 12 . 1 1 14 14 ARG N N 14 123.065 123.065 125.161 -2.096 25302 2198 1 12 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.542 0.127 25302 2199 1 12 . 1 1 14 14 ARG C C 14 176.773 176.773 176.986 -0.213 25302 2200 1 12 . 1 1 14 14 ARG CA C 14 53.641 53.641 53.562 0.078 25302 2201 1 12 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.166 2.565 25302 2202 1 12 . 1 1 14 14 ARG H H 14 8.255 8.255 8.424 -0.169 25302 2203 1 12 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.293 -0.070 25302 2204 1 12 . 1 1 15 15 PRO C C 15 176.628 176.628 176.704 -0.076 25302 2205 1 12 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.855 0.387 25302 2206 1 12 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.834 -0.108 25302 2207 1 12 . 1 1 16 16 ASP N N 16 113.958 113.958 115.178 -1.220 25302 2208 1 12 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.552 -0.178 25302 2209 1 12 . 1 1 16 16 ASP C C 16 176.667 176.667 176.934 -0.267 25302 2210 1 12 . 1 1 16 16 ASP CA C 16 53.356 53.356 53.836 -0.480 25302 2211 1 12 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.416 -0.858 25302 2212 1 12 . 1 1 16 16 ASP H H 16 7.732 7.732 8.142 -0.410 25302 2213 1 12 . 1 1 17 17 GLY N N 17 108.298 108.298 106.582 1.716 25302 2214 1 12 . 1 1 17 17 GLY C C 17 174.120 174.120 174.299 -0.179 25302 2215 1 12 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.630 -0.028 25302 2216 1 12 . 1 1 17 17 GLY H H 17 8.123 8.123 7.914 0.209 25302 2217 1 12 . 1 1 18 18 ALA N N 18 123.792 123.792 123.504 0.288 25302 2218 1 12 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.343 -0.193 25302 2219 1 12 . 1 1 18 18 ALA C C 18 176.098 176.098 176.530 -0.432 25302 2220 1 12 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.963 0.377 25302 2221 1 12 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.865 -0.639 25302 2222 1 12 . 1 1 18 18 ALA H H 18 7.572 7.572 7.726 -0.154 25302 2223 1 12 . 1 1 19 19 LYS N N 19 119.628 119.628 122.313 -2.685 25302 2224 1 12 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.439 0.612 25302 2225 1 12 . 1 1 19 19 LYS C C 19 176.655 176.655 176.437 0.218 25302 2226 1 12 . 1 1 19 19 LYS CA C 19 54.505 54.505 54.949 -0.444 25302 2227 1 12 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.639 3.176 25302 2228 1 12 . 1 1 19 19 LYS H H 19 7.970 7.970 8.401 -0.431 25302 2229 1 12 . 1 1 20 20 VAL N N 20 116.531 116.531 126.876 -10.345 25302 2230 1 12 . 1 1 20 20 VAL HA H 20 4.617 4.617 3.984 0.633 25302 2231 1 12 . 1 1 20 20 VAL C C 20 174.216 174.216 174.570 -0.354 25302 2232 1 12 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.773 -2.714 25302 2233 1 12 . 1 1 20 20 VAL CB C 20 36.562 36.562 30.799 5.763 25302 2234 1 12 . 1 1 20 20 VAL H H 20 8.757 8.757 8.451 0.306 25302 2235 1 12 . 1 1 21 21 CYS N N 21 119.357 119.357 125.085 -5.728 25302 2236 1 12 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.817 0.035 25302 2237 1 12 . 1 1 21 21 CYS C C 21 172.912 172.912 174.145 -1.233 25302 2238 1 12 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.455 -2.444 25302 2239 1 12 . 1 1 21 21 CYS CB C 21 46.324 46.324 29.937 16.387 25302 2240 1 12 . 1 1 21 21 CYS H H 21 8.386 8.386 8.076 0.310 25302 2241 1 12 . 1 1 22 22 ASN N N 22 121.561 121.561 121.877 -0.316 25302 2242 1 12 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.764 -0.251 25302 2243 1 12 . 1 1 22 22 ASN C C 22 174.084 174.084 174.830 -0.746 25302 2244 1 12 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.891 -0.349 25302 2245 1 12 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.431 -1.488 25302 2246 1 12 . 1 1 22 22 ASN H H 22 9.693 9.693 8.914 0.779 25302 2247 1 12 . 1 1 23 23 ASP N N 23 121.712 121.712 120.548 1.164 25302 2248 1 12 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.383 -0.074 25302 2249 1 12 . 1 1 23 23 ASP C C 23 174.448 174.448 175.203 -0.755 25302 2250 1 12 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.965 0.365 25302 2251 1 12 . 1 1 23 23 ASP CB C 23 40.200 40.200 40.928 -0.728 25302 2252 1 12 . 1 1 23 23 ASP H H 23 8.321 8.321 8.548 -0.227 25302 2253 1 12 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.417 -0.052 25302 2254 1 12 . 1 1 24 24 PRO C C 24 174.513 174.513 175.642 -1.129 25302 2255 1 12 . 1 1 24 24 PRO CA C 24 63.625 63.625 61.919 1.706 25302 2256 1 12 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.359 1.508 25302 2257 1 12 . 1 1 25 25 TRP N N 25 125.765 125.765 119.979 5.786 25302 2258 1 12 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.561 0.149 25302 2259 1 12 . 1 1 25 25 TRP C C 25 174.307 174.307 176.442 -2.135 25302 2260 1 12 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.716 0.017 25302 2261 1 12 . 1 1 25 25 TRP CB C 25 30.051 30.051 30.121 -0.070 25302 2262 1 12 . 1 1 25 25 TRP H H 25 8.334 8.334 7.112 1.222 25302 2263 1 12 . 1 1 26 26 VAL N N 26 114.147 114.147 115.144 -0.997 25302 2264 1 12 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.749 -0.378 25302 2265 1 12 . 1 1 26 26 VAL C C 26 174.295 174.295 175.128 -0.833 25302 2266 1 12 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.841 -0.678 25302 2267 1 12 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.256 0.022 25302 2268 1 12 . 1 1 26 26 VAL H H 26 8.952 8.952 8.603 0.349 25302 2269 1 12 . 1 1 27 27 CYS N N 27 122.366 122.366 125.539 -3.173 25302 2270 1 12 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.988 -0.623 25302 2271 1 12 . 1 1 27 27 CYS C C 27 174.268 174.268 175.477 -1.209 25302 2272 1 12 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.356 -1.700 25302 2273 1 12 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.511 13.356 25302 2274 1 12 . 1 1 27 27 CYS H H 27 8.747 8.747 8.779 -0.032 25302 2275 1 12 . 1 1 28 28 ILE N N 28 133.803 133.803 130.411 3.392 25302 2276 1 12 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.161 -0.029 25302 2277 1 12 . 1 1 28 28 ILE C C 28 177.492 177.492 176.670 0.822 25302 2278 1 12 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.991 -2.496 25302 2279 1 12 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.427 -3.909 25302 2280 1 12 . 1 1 28 28 ILE H H 28 8.763 8.763 8.476 0.287 25302 2281 1 12 . 1 1 29 29 LEU N N 29 128.360 128.360 129.182 -0.822 25302 2282 1 12 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.111 -0.244 25302 2283 1 12 . 1 1 29 29 LEU C C 29 179.282 179.282 178.096 1.186 25302 2284 1 12 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.961 0.083 25302 2285 1 12 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.302 0.920 25302 2286 1 12 . 1 1 29 29 LEU H H 29 8.452 8.452 8.728 -0.276 25302 2287 1 12 . 1 1 30 30 THR N N 30 108.140 108.140 113.354 -5.214 25302 2288 1 12 . 1 1 30 30 THR HA H 30 3.929 3.929 4.188 -0.259 25302 2289 1 12 . 1 1 30 30 THR C C 30 175.393 175.393 175.846 -0.453 25302 2290 1 12 . 1 1 30 30 THR CA C 30 64.119 64.119 64.566 -0.447 25302 2291 1 12 . 1 1 30 30 THR CB C 30 67.994 67.994 68.730 -0.736 25302 2292 1 12 . 1 1 30 30 THR H H 30 7.589 7.589 8.139 -0.550 25302 2293 1 12 . 1 1 31 31 SER N N 31 112.240 112.240 116.265 -4.025 25302 2294 1 12 . 1 1 31 31 SER HA H 31 4.446 4.446 4.479 -0.033 25302 2295 1 12 . 1 1 31 31 SER C C 31 174.912 174.912 174.706 0.206 25302 2296 1 12 . 1 1 31 31 SER CA C 31 56.859 56.859 58.688 -1.829 25302 2297 1 12 . 1 1 31 31 SER CB C 31 64.760 64.760 63.688 1.072 25302 2298 1 12 . 1 1 31 31 SER H H 31 7.002 7.002 7.776 -0.774 25302 2299 1 12 . 1 1 32 32 SER N N 32 118.529 118.529 115.011 3.518 25302 2300 1 12 . 1 1 32 32 SER HA H 32 3.604 3.604 4.089 -0.485 25302 2301 1 12 . 1 1 32 32 SER C C 32 174.998 174.998 173.368 1.630 25302 2302 1 12 . 1 1 32 32 SER CA C 32 59.523 59.523 59.957 -0.434 25302 2303 1 12 . 1 1 32 32 SER CB C 32 62.111 62.111 61.312 0.799 25302 2304 1 12 . 1 1 32 32 SER H H 32 8.558 8.558 7.861 0.697 25302 2305 1 12 . 1 1 33 33 ARG N N 33 117.830 117.830 114.907 2.923 25302 2306 1 12 . 1 1 33 33 ARG HA H 33 4.824 4.824 5.064 -0.240 25302 2307 1 12 . 1 1 33 33 ARG C C 33 175.115 175.115 175.068 0.047 25302 2308 1 12 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.887 -0.467 25302 2309 1 12 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.382 1.154 25302 2310 1 12 . 1 1 33 33 ARG H H 33 7.215 7.215 7.491 -0.276 25302 2311 1 12 . 1 1 34 34 CYS N N 34 120.813 120.813 122.632 -1.819 25302 2312 1 12 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.645 0.415 25302 2313 1 12 . 1 1 34 34 CYS C C 34 175.041 175.041 174.049 0.992 25302 2314 1 12 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.696 -6.001 25302 2315 1 12 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.851 15.258 25302 2316 1 12 . 1 1 34 34 CYS H H 34 8.284 8.284 8.741 -0.457 25302 2317 1 12 . 1 1 35 35 GLU N N 35 123.396 123.396 124.363 -0.967 25302 2318 1 12 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.518 0.237 25302 2319 1 12 . 1 1 35 35 GLU C C 35 175.069 175.069 174.337 0.732 25302 2320 1 12 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.754 -0.413 25302 2321 1 12 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.942 -0.779 25302 2322 1 12 . 1 1 35 35 GLU H H 35 9.226 9.226 8.701 0.525 25302 2323 1 12 . 1 1 36 36 ASN N N 36 118.081 118.081 119.364 -1.283 25302 2324 1 12 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.178 -0.089 25302 2325 1 12 . 1 1 36 36 ASN C C 36 172.567 172.567 173.989 -1.422 25302 2326 1 12 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.506 -0.052 25302 2327 1 12 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.954 0.444 25302 2328 1 12 . 1 1 36 36 ASN H H 36 8.540 8.540 8.720 -0.180 25302 2329 1 13 . 1 1 2 2 GLY N N 2 109.171 109.171 108.776 0.395 25302 2330 1 13 . 1 1 2 2 GLY C C 2 173.848 173.848 174.714 -0.866 25302 2331 1 13 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.711 -0.531 25302 2332 1 13 . 1 1 2 2 GLY H H 2 8.599 8.599 8.692 -0.093 25302 2333 1 13 . 1 1 3 3 GLU N N 3 120.814 120.814 120.189 0.625 25302 2334 1 13 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.465 -0.350 25302 2335 1 13 . 1 1 3 3 GLU C C 3 175.221 175.221 175.453 -0.232 25302 2336 1 13 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.742 1.405 25302 2337 1 13 . 1 1 3 3 GLU CB C 3 29.301 29.301 30.849 -1.548 25302 2338 1 13 . 1 1 3 3 GLU H H 3 8.477 8.477 8.391 0.086 25302 2339 1 13 . 1 1 4 4 CYS N N 4 115.823 115.823 115.041 0.782 25302 2340 1 13 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.054 -0.148 25302 2341 1 13 . 1 1 4 4 CYS C C 4 174.789 174.789 175.085 -0.296 25302 2342 1 13 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.393 -3.270 25302 2343 1 13 . 1 1 4 4 CYS CB C 4 46.590 46.590 30.046 16.544 25302 2344 1 13 . 1 1 4 4 CYS H H 4 8.050 8.050 8.166 -0.116 25302 2345 1 13 . 1 1 5 5 GLY N N 5 105.602 105.602 111.924 -6.322 25302 2346 1 13 . 1 1 5 5 GLY C C 5 173.331 173.331 173.675 -0.344 25302 2347 1 13 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.349 2.340 25302 2348 1 13 . 1 1 5 5 GLY H H 5 8.272 8.272 8.796 -0.524 25302 2349 1 13 . 1 1 6 6 ASP N N 6 119.525 119.525 119.496 0.029 25302 2350 1 13 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.709 0.467 25302 2351 1 13 . 1 1 6 6 ASP C C 6 174.303 174.303 175.825 -1.522 25302 2352 1 13 . 1 1 6 6 ASP CA C 6 51.824 51.824 53.019 -1.195 25302 2353 1 13 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.357 -0.904 25302 2354 1 13 . 1 1 6 6 ASP H H 6 7.399 7.399 7.914 -0.515 25302 2355 1 13 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.731 -1.341 25302 2356 1 13 . 1 1 7 7 LYS C C 7 176.491 176.491 176.210 0.281 25302 2357 1 13 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.266 0.642 25302 2358 1 13 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.135 0.180 25302 2359 1 13 . 1 1 8 8 ASP N N 8 118.123 118.123 122.466 -4.343 25302 2360 1 13 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.124 -0.151 25302 2361 1 13 . 1 1 8 8 ASP C C 8 174.603 174.603 175.163 -0.560 25302 2362 1 13 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.757 0.843 25302 2363 1 13 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.618 -0.492 25302 2364 1 13 . 1 1 8 8 ASP H H 8 8.763 8.763 8.639 0.124 25302 2365 1 13 . 1 1 9 9 GLU N N 9 119.080 119.080 118.793 0.287 25302 2366 1 13 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.681 -0.214 25302 2367 1 13 . 1 1 9 9 GLU C C 9 172.723 172.723 174.589 -1.866 25302 2368 1 13 . 1 1 9 9 GLU CA C 9 53.456 53.456 53.183 0.273 25302 2369 1 13 . 1 1 9 9 GLU CB C 9 27.509 27.509 30.295 -2.786 25302 2370 1 13 . 1 1 9 9 GLU H H 9 7.842 7.842 7.561 0.281 25302 2371 1 13 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.559 0.329 25302 2372 1 13 . 1 1 10 10 PRO C C 10 175.963 175.963 176.489 -0.526 25302 2373 1 13 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.745 -0.620 25302 2374 1 13 . 1 1 10 10 PRO CB C 10 32.371 32.371 32.035 0.336 25302 2375 1 13 . 1 1 11 11 CYS N N 11 117.256 117.256 118.713 -1.457 25302 2376 1 13 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.720 -0.326 25302 2377 1 13 . 1 1 11 11 CYS C C 11 175.560 175.560 176.268 -0.708 25302 2378 1 13 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.827 -1.385 25302 2379 1 13 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.056 13.615 25302 2380 1 13 . 1 1 11 11 CYS H H 11 7.440 7.440 7.929 -0.489 25302 2381 1 13 . 1 1 12 12 CYS N N 12 122.475 122.475 122.377 0.098 25302 2382 1 13 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.688 -0.060 25302 2383 1 13 . 1 1 12 12 CYS C C 12 174.330 174.330 176.018 -1.688 25302 2384 1 13 . 1 1 12 12 CYS CA C 12 53.235 53.235 56.957 -3.722 25302 2385 1 13 . 1 1 12 12 CYS CB C 12 40.251 40.251 26.023 14.228 25302 2386 1 13 . 1 1 12 12 CYS H H 12 9.249 9.249 8.459 0.790 25302 2387 1 13 . 1 1 13 13 GLY N N 13 110.237 110.237 112.898 -2.661 25302 2388 1 13 . 1 1 13 13 GLY C C 13 173.730 173.730 174.150 -0.420 25302 2389 1 13 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.856 -0.081 25302 2390 1 13 . 1 1 13 13 GLY H H 13 8.676 8.676 8.427 0.249 25302 2391 1 13 . 1 1 14 14 ARG N N 14 123.065 123.065 126.215 -3.150 25302 2392 1 13 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.408 0.261 25302 2393 1 13 . 1 1 14 14 ARG C C 14 176.773 176.773 176.936 -0.163 25302 2394 1 13 . 1 1 14 14 ARG CA C 14 53.641 53.641 53.440 0.201 25302 2395 1 13 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.158 2.573 25302 2396 1 13 . 1 1 14 14 ARG H H 14 8.255 8.255 8.207 0.049 25302 2397 1 13 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.203 0.020 25302 2398 1 13 . 1 1 15 15 PRO C C 15 176.628 176.628 177.050 -0.422 25302 2399 1 13 . 1 1 15 15 PRO CA C 15 65.242 65.242 65.317 -0.075 25302 2400 1 13 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.754 -0.028 25302 2401 1 13 . 1 1 16 16 ASP N N 16 113.958 113.958 115.980 -2.022 25302 2402 1 13 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.477 -0.103 25302 2403 1 13 . 1 1 16 16 ASP C C 16 176.667 176.667 177.154 -0.487 25302 2404 1 13 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.175 -0.819 25302 2405 1 13 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.663 -1.105 25302 2406 1 13 . 1 1 16 16 ASP H H 16 7.732 7.732 8.247 -0.515 25302 2407 1 13 . 1 1 17 17 GLY N N 17 108.298 108.298 107.543 0.755 25302 2408 1 13 . 1 1 17 17 GLY C C 17 174.120 174.120 173.561 0.559 25302 2409 1 13 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.628 -0.027 25302 2410 1 13 . 1 1 17 17 GLY H H 17 8.123 8.123 8.066 0.057 25302 2411 1 13 . 1 1 18 18 ALA N N 18 123.792 123.792 123.752 0.040 25302 2412 1 13 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.382 -0.232 25302 2413 1 13 . 1 1 18 18 ALA C C 18 176.098 176.098 176.665 -0.567 25302 2414 1 13 . 1 1 18 18 ALA CA C 18 52.340 52.340 52.040 0.300 25302 2415 1 13 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.596 -0.370 25302 2416 1 13 . 1 1 18 18 ALA H H 18 7.572 7.572 7.696 -0.124 25302 2417 1 13 . 1 1 19 19 LYS N N 19 119.628 119.628 123.401 -3.773 25302 2418 1 13 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.353 0.698 25302 2419 1 13 . 1 1 19 19 LYS C C 19 176.655 176.655 175.602 1.053 25302 2420 1 13 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.040 -0.535 25302 2421 1 13 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.357 3.458 25302 2422 1 13 . 1 1 19 19 LYS H H 19 7.970 7.970 8.460 -0.490 25302 2423 1 13 . 1 1 20 20 VAL N N 20 116.531 116.531 126.461 -9.930 25302 2424 1 13 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.209 0.408 25302 2425 1 13 . 1 1 20 20 VAL C C 20 174.216 174.216 174.484 -0.268 25302 2426 1 13 . 1 1 20 20 VAL CA C 20 60.059 60.059 61.880 -1.821 25302 2427 1 13 . 1 1 20 20 VAL CB C 20 36.562 36.562 33.060 3.502 25302 2428 1 13 . 1 1 20 20 VAL H H 20 8.757 8.757 8.066 0.691 25302 2429 1 13 . 1 1 21 21 CYS N N 21 119.357 119.357 125.082 -5.725 25302 2430 1 13 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.813 0.039 25302 2431 1 13 . 1 1 21 21 CYS C C 21 172.912 172.912 173.639 -0.727 25302 2432 1 13 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.617 -2.606 25302 2433 1 13 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.645 15.679 25302 2434 1 13 . 1 1 21 21 CYS H H 21 8.386 8.386 8.696 -0.310 25302 2435 1 13 . 1 1 22 22 ASN N N 22 121.561 121.561 120.195 1.366 25302 2436 1 13 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.790 -0.277 25302 2437 1 13 . 1 1 22 22 ASN C C 22 174.084 174.084 174.599 -0.515 25302 2438 1 13 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.712 -0.170 25302 2439 1 13 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.516 -1.573 25302 2440 1 13 . 1 1 22 22 ASN H H 22 9.693 9.693 8.339 1.354 25302 2441 1 13 . 1 1 23 23 ASP N N 23 121.712 121.712 119.255 2.457 25302 2442 1 13 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.513 -0.204 25302 2443 1 13 . 1 1 23 23 ASP C C 23 174.448 174.448 175.609 -1.161 25302 2444 1 13 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.300 1.030 25302 2445 1 13 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.004 -0.804 25302 2446 1 13 . 1 1 23 23 ASP H H 23 8.321 8.321 8.523 -0.202 25302 2447 1 13 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.371 -0.006 25302 2448 1 13 . 1 1 24 24 PRO C C 24 174.513 174.513 175.799 -1.286 25302 2449 1 13 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.146 1.479 25302 2450 1 13 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.593 1.274 25302 2451 1 13 . 1 1 25 25 TRP N N 25 125.765 125.765 120.591 5.174 25302 2452 1 13 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.887 -0.177 25302 2453 1 13 . 1 1 25 25 TRP C C 25 174.307 174.307 176.369 -2.062 25302 2454 1 13 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.076 0.657 25302 2455 1 13 . 1 1 25 25 TRP CB C 25 30.051 30.051 30.418 -0.367 25302 2456 1 13 . 1 1 25 25 TRP H H 25 8.334 8.334 7.144 1.190 25302 2457 1 13 . 1 1 26 26 VAL N N 26 114.147 114.147 115.825 -1.678 25302 2458 1 13 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.751 -0.380 25302 2459 1 13 . 1 1 26 26 VAL C C 26 174.295 174.295 174.708 -0.413 25302 2460 1 13 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.456 -0.294 25302 2461 1 13 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.651 -0.373 25302 2462 1 13 . 1 1 26 26 VAL H H 26 8.952 8.952 8.970 -0.018 25302 2463 1 13 . 1 1 27 27 CYS N N 27 122.366 122.366 126.133 -3.767 25302 2464 1 13 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.533 -0.168 25302 2465 1 13 . 1 1 27 27 CYS C C 27 174.268 174.268 175.590 -1.322 25302 2466 1 13 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.616 -1.960 25302 2467 1 13 . 1 1 27 27 CYS CB C 27 39.867 39.867 25.865 14.002 25302 2468 1 13 . 1 1 27 27 CYS H H 27 8.747 8.747 8.903 -0.156 25302 2469 1 13 . 1 1 28 28 ILE N N 28 133.803 133.803 130.949 2.854 25302 2470 1 13 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.091 0.041 25302 2471 1 13 . 1 1 28 28 ILE C C 28 177.492 177.492 176.462 1.030 25302 2472 1 13 . 1 1 28 28 ILE CA C 28 58.495 58.495 61.426 -2.931 25302 2473 1 13 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.185 -3.667 25302 2474 1 13 . 1 1 28 28 ILE H H 28 8.763 8.763 8.702 0.061 25302 2475 1 13 . 1 1 29 29 LEU N N 29 128.360 128.360 129.567 -1.207 25302 2476 1 13 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.196 -0.329 25302 2477 1 13 . 1 1 29 29 LEU C C 29 179.282 179.282 178.513 0.769 25302 2478 1 13 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.536 0.508 25302 2479 1 13 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.265 0.957 25302 2480 1 13 . 1 1 29 29 LEU H H 29 8.452 8.452 8.956 -0.504 25302 2481 1 13 . 1 1 30 30 THR N N 30 108.140 108.140 114.013 -5.873 25302 2482 1 13 . 1 1 30 30 THR HA H 30 3.929 3.929 4.120 -0.191 25302 2483 1 13 . 1 1 30 30 THR C C 30 175.393 175.393 175.268 0.125 25302 2484 1 13 . 1 1 30 30 THR CA C 30 64.119 64.119 64.670 -0.551 25302 2485 1 13 . 1 1 30 30 THR CB C 30 67.994 67.994 68.935 -0.941 25302 2486 1 13 . 1 1 30 30 THR H H 30 7.589 7.589 8.335 -0.746 25302 2487 1 13 . 1 1 31 31 SER N N 31 112.240 112.240 114.989 -2.749 25302 2488 1 13 . 1 1 31 31 SER HA H 31 4.446 4.446 4.575 -0.129 25302 2489 1 13 . 1 1 31 31 SER C C 31 174.912 174.912 174.505 0.407 25302 2490 1 13 . 1 1 31 31 SER CA C 31 56.859 56.859 58.180 -1.321 25302 2491 1 13 . 1 1 31 31 SER CB C 31 64.760 64.760 64.028 0.732 25302 2492 1 13 . 1 1 31 31 SER H H 31 7.002 7.002 7.722 -0.720 25302 2493 1 13 . 1 1 32 32 SER N N 32 118.529 118.529 113.559 4.970 25302 2494 1 13 . 1 1 32 32 SER HA H 32 3.604 3.604 4.037 -0.433 25302 2495 1 13 . 1 1 32 32 SER C C 32 174.998 174.998 173.365 1.633 25302 2496 1 13 . 1 1 32 32 SER CA C 32 59.523 59.523 59.997 -0.474 25302 2497 1 13 . 1 1 32 32 SER CB C 32 62.111 62.111 61.539 0.572 25302 2498 1 13 . 1 1 32 32 SER H H 32 8.558 8.558 7.959 0.599 25302 2499 1 13 . 1 1 33 33 ARG N N 33 117.830 117.830 114.293 3.537 25302 2500 1 13 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.976 -0.152 25302 2501 1 13 . 1 1 33 33 ARG C C 33 175.115 175.115 175.105 0.010 25302 2502 1 13 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.726 -0.306 25302 2503 1 13 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.496 1.040 25302 2504 1 13 . 1 1 33 33 ARG H H 33 7.215 7.215 7.453 -0.238 25302 2505 1 13 . 1 1 34 34 CYS N N 34 120.813 120.813 121.686 -0.873 25302 2506 1 13 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.783 0.277 25302 2507 1 13 . 1 1 34 34 CYS C C 34 175.041 175.041 174.652 0.389 25302 2508 1 13 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.372 -5.677 25302 2509 1 13 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.413 15.696 25302 2510 1 13 . 1 1 34 34 CYS H H 34 8.284 8.284 8.649 -0.365 25302 2511 1 13 . 1 1 35 35 GLU N N 35 123.396 123.396 123.051 0.345 25302 2512 1 13 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.574 0.181 25302 2513 1 13 . 1 1 35 35 GLU C C 35 175.069 175.069 174.709 0.360 25302 2514 1 13 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.401 -0.060 25302 2515 1 13 . 1 1 35 35 GLU CB C 35 33.163 33.163 34.152 -0.989 25302 2516 1 13 . 1 1 35 35 GLU H H 35 9.226 9.226 8.893 0.333 25302 2517 1 13 . 1 1 36 36 ASN N N 36 118.081 118.081 118.714 -0.633 25302 2518 1 13 . 1 1 36 36 ASN HA H 36 5.089 5.089 4.994 0.095 25302 2519 1 13 . 1 1 36 36 ASN C C 36 172.567 172.567 174.403 -1.836 25302 2520 1 13 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.295 0.159 25302 2521 1 13 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.324 0.074 25302 2522 1 13 . 1 1 36 36 ASN H H 36 8.540 8.540 8.609 -0.069 25302 2523 1 14 . 1 1 2 2 GLY N N 2 109.171 109.171 108.384 0.787 25302 2524 1 14 . 1 1 2 2 GLY C C 2 173.848 173.848 174.164 -0.316 25302 2525 1 14 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.291 -0.112 25302 2526 1 14 . 1 1 2 2 GLY H H 2 8.599 8.599 8.743 -0.144 25302 2527 1 14 . 1 1 3 3 GLU N N 3 120.814 120.814 119.141 1.673 25302 2528 1 14 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.765 -0.650 25302 2529 1 14 . 1 1 3 3 GLU C C 3 175.221 175.221 174.748 0.473 25302 2530 1 14 . 1 1 3 3 GLU CA C 3 57.148 57.148 54.709 2.439 25302 2531 1 14 . 1 1 3 3 GLU CB C 3 29.301 29.301 32.207 -2.906 25302 2532 1 14 . 1 1 3 3 GLU H H 3 8.477 8.477 7.712 0.765 25302 2533 1 14 . 1 1 4 4 CYS N N 4 115.823 115.823 115.013 0.810 25302 2534 1 14 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.092 -0.186 25302 2535 1 14 . 1 1 4 4 CYS C C 4 174.789 174.789 174.635 0.154 25302 2536 1 14 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.534 -3.411 25302 2537 1 14 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.837 16.753 25302 2538 1 14 . 1 1 4 4 CYS H H 4 8.050 8.050 8.517 -0.467 25302 2539 1 14 . 1 1 5 5 GLY N N 5 105.602 105.602 112.113 -6.511 25302 2540 1 14 . 1 1 5 5 GLY C C 5 173.331 173.331 172.930 0.401 25302 2541 1 14 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.364 2.325 25302 2542 1 14 . 1 1 5 5 GLY H H 5 8.272 8.272 8.596 -0.324 25302 2543 1 14 . 1 1 6 6 ASP N N 6 119.525 119.525 118.595 0.930 25302 2544 1 14 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.618 0.558 25302 2545 1 14 . 1 1 6 6 ASP C C 6 174.303 174.303 175.308 -1.005 25302 2546 1 14 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.158 -0.334 25302 2547 1 14 . 1 1 6 6 ASP CB C 6 41.453 41.453 43.328 -1.875 25302 2548 1 14 . 1 1 6 6 ASP H H 6 7.399 7.399 7.791 -0.392 25302 2549 1 14 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.745 -1.355 25302 2550 1 14 . 1 1 7 7 LYS C C 7 176.491 176.491 176.436 0.055 25302 2551 1 14 . 1 1 7 7 LYS CA C 7 57.908 57.908 56.704 1.204 25302 2552 1 14 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.333 -0.018 25302 2553 1 14 . 1 1 8 8 ASP N N 8 118.123 118.123 119.813 -1.690 25302 2554 1 14 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.233 -0.260 25302 2555 1 14 . 1 1 8 8 ASP C C 8 174.603 174.603 174.745 -0.142 25302 2556 1 14 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.755 0.845 25302 2557 1 14 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.011 0.115 25302 2558 1 14 . 1 1 8 8 ASP H H 8 8.763 8.763 8.590 0.173 25302 2559 1 14 . 1 1 9 9 GLU N N 9 119.080 119.080 118.924 0.156 25302 2560 1 14 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.736 -0.269 25302 2561 1 14 . 1 1 9 9 GLU C C 9 172.723 172.723 174.112 -1.389 25302 2562 1 14 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.367 1.089 25302 2563 1 14 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.744 -4.235 25302 2564 1 14 . 1 1 9 9 GLU H H 9 7.842 7.842 7.668 0.174 25302 2565 1 14 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.565 0.323 25302 2566 1 14 . 1 1 10 10 PRO C C 10 175.963 175.963 177.000 -1.037 25302 2567 1 14 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.891 -0.767 25302 2568 1 14 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.201 1.170 25302 2569 1 14 . 1 1 11 11 CYS N N 11 117.256 117.256 121.338 -4.082 25302 2570 1 14 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.775 -0.381 25302 2571 1 14 . 1 1 11 11 CYS C C 11 175.560 175.560 175.773 -0.213 25302 2572 1 14 . 1 1 11 11 CYS CA C 11 55.442 55.442 57.097 -1.655 25302 2573 1 14 . 1 1 11 11 CYS CB C 11 40.671 40.671 26.905 13.766 25302 2574 1 14 . 1 1 11 11 CYS H H 11 7.440 7.440 7.971 -0.530 25302 2575 1 14 . 1 1 12 12 CYS N N 12 122.475 122.475 123.335 -0.860 25302 2576 1 14 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.807 -0.179 25302 2577 1 14 . 1 1 12 12 CYS C C 12 174.330 174.330 175.317 -0.987 25302 2578 1 14 . 1 1 12 12 CYS CA C 12 53.235 53.235 56.242 -3.007 25302 2579 1 14 . 1 1 12 12 CYS CB C 12 40.251 40.251 28.105 12.146 25302 2580 1 14 . 1 1 12 12 CYS H H 12 9.249 9.249 8.745 0.504 25302 2581 1 14 . 1 1 13 13 GLY N N 13 110.237 110.237 109.272 0.965 25302 2582 1 14 . 1 1 13 13 GLY C C 13 173.730 173.730 174.014 -0.284 25302 2583 1 14 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.722 0.053 25302 2584 1 14 . 1 1 13 13 GLY H H 13 8.676 8.676 8.359 0.317 25302 2585 1 14 . 1 1 14 14 ARG N N 14 123.065 123.065 124.499 -1.434 25302 2586 1 14 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.385 0.284 25302 2587 1 14 . 1 1 14 14 ARG C C 14 176.773 176.773 176.360 0.413 25302 2588 1 14 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.078 -0.437 25302 2589 1 14 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.353 2.378 25302 2590 1 14 . 1 1 14 14 ARG H H 14 8.255 8.255 8.288 -0.033 25302 2591 1 14 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.279 -0.056 25302 2592 1 14 . 1 1 15 15 PRO C C 15 176.628 176.628 177.100 -0.472 25302 2593 1 14 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.721 0.521 25302 2594 1 14 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.780 -0.054 25302 2595 1 14 . 1 1 16 16 ASP N N 16 113.958 113.958 115.139 -1.181 25302 2596 1 14 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.571 -0.197 25302 2597 1 14 . 1 1 16 16 ASP C C 16 176.667 176.667 177.050 -0.383 25302 2598 1 14 . 1 1 16 16 ASP CA C 16 53.356 53.356 55.584 -2.228 25302 2599 1 14 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.504 -0.946 25302 2600 1 14 . 1 1 16 16 ASP H H 16 7.732 7.732 8.336 -0.604 25302 2601 1 14 . 1 1 17 17 GLY N N 17 108.298 108.298 105.293 3.005 25302 2602 1 14 . 1 1 17 17 GLY C C 17 174.120 174.120 173.918 0.202 25302 2603 1 14 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.523 0.078 25302 2604 1 14 . 1 1 17 17 GLY H H 17 8.123 8.123 7.930 0.193 25302 2605 1 14 . 1 1 18 18 ALA N N 18 123.792 123.792 123.643 0.149 25302 2606 1 14 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.354 -0.204 25302 2607 1 14 . 1 1 18 18 ALA C C 18 176.098 176.098 176.978 -0.880 25302 2608 1 14 . 1 1 18 18 ALA CA C 18 52.340 52.340 52.190 0.150 25302 2609 1 14 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.875 -0.649 25302 2610 1 14 . 1 1 18 18 ALA H H 18 7.572 7.572 7.925 -0.353 25302 2611 1 14 . 1 1 19 19 LYS N N 19 119.628 119.628 122.023 -2.395 25302 2612 1 14 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.435 0.616 25302 2613 1 14 . 1 1 19 19 LYS C C 19 176.655 176.655 176.628 0.027 25302 2614 1 14 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.021 -0.516 25302 2615 1 14 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.413 3.402 25302 2616 1 14 . 1 1 19 19 LYS H H 19 7.970 7.970 8.293 -0.323 25302 2617 1 14 . 1 1 20 20 VAL N N 20 116.531 116.531 126.682 -10.151 25302 2618 1 14 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.001 0.616 25302 2619 1 14 . 1 1 20 20 VAL C C 20 174.216 174.216 174.487 -0.271 25302 2620 1 14 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.858 -2.799 25302 2621 1 14 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.402 5.160 25302 2622 1 14 . 1 1 20 20 VAL H H 20 8.757 8.757 8.628 0.129 25302 2623 1 14 . 1 1 21 21 CYS N N 21 119.357 119.357 125.063 -5.706 25302 2624 1 14 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.905 -0.053 25302 2625 1 14 . 1 1 21 21 CYS C C 21 172.912 172.912 174.287 -1.375 25302 2626 1 14 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.410 -2.400 25302 2627 1 14 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.359 15.965 25302 2628 1 14 . 1 1 21 21 CYS H H 21 8.386 8.386 8.240 0.146 25302 2629 1 14 . 1 1 22 22 ASN N N 22 121.561 121.561 121.761 -0.200 25302 2630 1 14 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.827 -0.314 25302 2631 1 14 . 1 1 22 22 ASN C C 22 174.084 174.084 174.823 -0.739 25302 2632 1 14 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.941 -0.399 25302 2633 1 14 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.679 -1.736 25302 2634 1 14 . 1 1 22 22 ASN H H 22 9.693 9.693 8.989 0.704 25302 2635 1 14 . 1 1 23 23 ASP N N 23 121.712 121.712 119.040 2.672 25302 2636 1 14 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.551 -0.242 25302 2637 1 14 . 1 1 23 23 ASP C C 23 174.448 174.448 175.723 -1.275 25302 2638 1 14 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.822 0.509 25302 2639 1 14 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.357 -1.157 25302 2640 1 14 . 1 1 23 23 ASP H H 23 8.321 8.321 8.544 -0.223 25302 2641 1 14 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.541 -0.176 25302 2642 1 14 . 1 1 24 24 PRO C C 24 174.513 174.513 175.563 -1.050 25302 2643 1 14 . 1 1 24 24 PRO CA C 24 63.625 63.625 61.927 1.698 25302 2644 1 14 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.643 1.224 25302 2645 1 14 . 1 1 25 25 TRP N N 25 125.765 125.765 119.596 6.169 25302 2646 1 14 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.561 0.149 25302 2647 1 14 . 1 1 25 25 TRP C C 25 174.307 174.307 176.701 -2.394 25302 2648 1 14 . 1 1 25 25 TRP CA C 25 56.733 56.733 57.563 -0.830 25302 2649 1 14 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.611 0.440 25302 2650 1 14 . 1 1 25 25 TRP H H 25 8.334 8.334 7.260 1.074 25302 2651 1 14 . 1 1 26 26 VAL N N 26 114.147 114.147 115.274 -1.127 25302 2652 1 14 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.702 -0.331 25302 2653 1 14 . 1 1 26 26 VAL C C 26 174.295 174.295 174.856 -0.561 25302 2654 1 14 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.821 -0.658 25302 2655 1 14 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.327 -0.049 25302 2656 1 14 . 1 1 26 26 VAL H H 26 8.952 8.952 8.552 0.400 25302 2657 1 14 . 1 1 27 27 CYS N N 27 122.366 122.366 125.666 -3.300 25302 2658 1 14 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.711 -0.346 25302 2659 1 14 . 1 1 27 27 CYS C C 27 174.268 174.268 175.328 -1.060 25302 2660 1 14 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.599 -1.943 25302 2661 1 14 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.117 13.750 25302 2662 1 14 . 1 1 27 27 CYS H H 27 8.747 8.747 8.841 -0.094 25302 2663 1 14 . 1 1 28 28 ILE N N 28 133.803 133.803 130.919 2.884 25302 2664 1 14 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.121 0.011 25302 2665 1 14 . 1 1 28 28 ILE C C 28 177.492 177.492 176.351 1.141 25302 2666 1 14 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.692 -2.197 25302 2667 1 14 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.404 -3.886 25302 2668 1 14 . 1 1 28 28 ILE H H 28 8.763 8.763 8.418 0.345 25302 2669 1 14 . 1 1 29 29 LEU N N 29 128.360 128.360 130.164 -1.804 25302 2670 1 14 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.156 -0.289 25302 2671 1 14 . 1 1 29 29 LEU C C 29 179.282 179.282 178.293 0.989 25302 2672 1 14 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.724 0.320 25302 2673 1 14 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.457 0.765 25302 2674 1 14 . 1 1 29 29 LEU H H 29 8.452 8.452 8.882 -0.430 25302 2675 1 14 . 1 1 30 30 THR N N 30 108.140 108.140 114.680 -6.540 25302 2676 1 14 . 1 1 30 30 THR HA H 30 3.929 3.929 4.113 -0.184 25302 2677 1 14 . 1 1 30 30 THR C C 30 175.393 175.393 175.466 -0.073 25302 2678 1 14 . 1 1 30 30 THR CA C 30 64.119 64.119 64.656 -0.537 25302 2679 1 14 . 1 1 30 30 THR CB C 30 67.994 67.994 68.828 -0.834 25302 2680 1 14 . 1 1 30 30 THR H H 30 7.589 7.589 8.243 -0.654 25302 2681 1 14 . 1 1 31 31 SER N N 31 112.240 112.240 115.352 -3.112 25302 2682 1 14 . 1 1 31 31 SER HA H 31 4.446 4.446 4.565 -0.119 25302 2683 1 14 . 1 1 31 31 SER C C 31 174.912 174.912 174.685 0.227 25302 2684 1 14 . 1 1 31 31 SER CA C 31 56.859 56.859 58.308 -1.449 25302 2685 1 14 . 1 1 31 31 SER CB C 31 64.760 64.760 63.859 0.901 25302 2686 1 14 . 1 1 31 31 SER H H 31 7.002 7.002 7.763 -0.761 25302 2687 1 14 . 1 1 32 32 SER N N 32 118.529 118.529 115.749 2.780 25302 2688 1 14 . 1 1 32 32 SER HA H 32 3.604 3.604 4.180 -0.576 25302 2689 1 14 . 1 1 32 32 SER C C 32 174.998 174.998 173.342 1.656 25302 2690 1 14 . 1 1 32 32 SER CA C 32 59.523 59.523 60.076 -0.553 25302 2691 1 14 . 1 1 32 32 SER CB C 32 62.111 62.111 61.658 0.453 25302 2692 1 14 . 1 1 32 32 SER H H 32 8.558 8.558 8.072 0.486 25302 2693 1 14 . 1 1 33 33 ARG N N 33 117.830 117.830 114.075 3.755 25302 2694 1 14 . 1 1 33 33 ARG HA H 33 4.824 4.824 5.002 -0.178 25302 2695 1 14 . 1 1 33 33 ARG C C 33 175.115 175.115 174.887 0.228 25302 2696 1 14 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.771 -0.351 25302 2697 1 14 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.524 1.012 25302 2698 1 14 . 1 1 33 33 ARG H H 33 7.215 7.215 7.494 -0.279 25302 2699 1 14 . 1 1 34 34 CYS N N 34 120.813 120.813 122.248 -1.435 25302 2700 1 14 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.977 0.083 25302 2701 1 14 . 1 1 34 34 CYS C C 34 175.041 175.041 174.978 0.063 25302 2702 1 14 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.320 -5.625 25302 2703 1 14 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.479 15.630 25302 2704 1 14 . 1 1 34 34 CYS H H 34 8.284 8.284 8.670 -0.386 25302 2705 1 14 . 1 1 35 35 GLU N N 35 123.396 123.396 125.122 -1.726 25302 2706 1 14 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.706 0.049 25302 2707 1 14 . 1 1 35 35 GLU C C 35 175.069 175.069 176.042 -0.973 25302 2708 1 14 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.612 -0.271 25302 2709 1 14 . 1 1 35 35 GLU CB C 35 33.163 33.163 32.616 0.547 25302 2710 1 14 . 1 1 35 35 GLU H H 35 9.226 9.226 8.575 0.651 25302 2711 1 14 . 1 1 36 36 ASN N N 36 118.081 118.081 118.194 -0.113 25302 2712 1 14 . 1 1 36 36 ASN HA H 36 5.089 5.089 4.963 0.126 25302 2713 1 14 . 1 1 36 36 ASN C C 36 172.567 172.567 173.809 -1.242 25302 2714 1 14 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.132 0.322 25302 2715 1 14 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.946 0.452 25302 2716 1 14 . 1 1 36 36 ASN H H 36 8.540 8.540 8.787 -0.247 25302 2717 1 15 . 1 1 2 2 GLY N N 2 109.171 109.171 108.868 0.303 25302 2718 1 15 . 1 1 2 2 GLY C C 2 173.848 173.848 173.979 -0.131 25302 2719 1 15 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.074 0.105 25302 2720 1 15 . 1 1 2 2 GLY H H 2 8.599 8.599 8.376 0.223 25302 2721 1 15 . 1 1 3 3 GLU N N 3 120.814 120.814 120.450 0.364 25302 2722 1 15 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.581 -0.466 25302 2723 1 15 . 1 1 3 3 GLU C C 3 175.221 175.221 176.045 -0.824 25302 2724 1 15 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.098 2.050 25302 2725 1 15 . 1 1 3 3 GLU CB C 3 29.301 29.301 30.776 -1.474 25302 2726 1 15 . 1 1 3 3 GLU H H 3 8.477 8.477 7.857 0.620 25302 2727 1 15 . 1 1 4 4 CYS N N 4 115.823 115.823 119.668 -3.845 25302 2728 1 15 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.144 -0.238 25302 2729 1 15 . 1 1 4 4 CYS C C 4 174.789 174.789 176.034 -1.245 25302 2730 1 15 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.660 -3.537 25302 2731 1 15 . 1 1 4 4 CYS CB C 4 46.590 46.590 27.620 18.970 25302 2732 1 15 . 1 1 4 4 CYS H H 4 8.050 8.050 8.627 -0.577 25302 2733 1 15 . 1 1 5 5 GLY N N 5 105.602 105.602 115.378 -9.776 25302 2734 1 15 . 1 1 5 5 GLY C C 5 173.331 173.331 173.616 -0.285 25302 2735 1 15 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.339 2.350 25302 2736 1 15 . 1 1 5 5 GLY H H 5 8.272 8.272 8.667 -0.395 25302 2737 1 15 . 1 1 6 6 ASP N N 6 119.525 119.525 120.303 -0.778 25302 2738 1 15 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.888 0.288 25302 2739 1 15 . 1 1 6 6 ASP C C 6 174.303 174.303 175.723 -1.420 25302 2740 1 15 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.793 -0.969 25302 2741 1 15 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.405 -0.952 25302 2742 1 15 . 1 1 6 6 ASP H H 6 7.399 7.399 7.685 -0.286 25302 2743 1 15 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.612 -1.222 25302 2744 1 15 . 1 1 7 7 LYS C C 7 176.491 176.491 176.122 0.369 25302 2745 1 15 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.180 0.728 25302 2746 1 15 . 1 1 7 7 LYS CB C 7 31.315 31.315 30.977 0.338 25302 2747 1 15 . 1 1 8 8 ASP N N 8 118.123 118.123 122.898 -4.775 25302 2748 1 15 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.093 -0.120 25302 2749 1 15 . 1 1 8 8 ASP C C 8 174.603 174.603 175.040 -0.437 25302 2750 1 15 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.900 0.700 25302 2751 1 15 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.779 -0.653 25302 2752 1 15 . 1 1 8 8 ASP H H 8 8.763 8.763 8.508 0.255 25302 2753 1 15 . 1 1 9 9 GLU N N 9 119.080 119.080 117.765 1.315 25302 2754 1 15 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.809 -0.342 25302 2755 1 15 . 1 1 9 9 GLU C C 9 172.723 172.723 174.372 -1.649 25302 2756 1 15 . 1 1 9 9 GLU CA C 9 53.456 53.456 53.367 0.089 25302 2757 1 15 . 1 1 9 9 GLU CB C 9 27.509 27.509 30.872 -3.363 25302 2758 1 15 . 1 1 9 9 GLU H H 9 7.842 7.842 7.642 0.200 25302 2759 1 15 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.741 0.147 25302 2760 1 15 . 1 1 10 10 PRO C C 10 175.963 175.963 176.796 -0.833 25302 2761 1 15 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.846 -0.722 25302 2762 1 15 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.265 1.106 25302 2763 1 15 . 1 1 11 11 CYS N N 11 117.256 117.256 120.145 -2.889 25302 2764 1 15 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.647 -0.253 25302 2765 1 15 . 1 1 11 11 CYS C C 11 175.560 175.560 175.894 -0.334 25302 2766 1 15 . 1 1 11 11 CYS CA C 11 55.442 55.442 57.154 -1.712 25302 2767 1 15 . 1 1 11 11 CYS CB C 11 40.671 40.671 26.693 13.978 25302 2768 1 15 . 1 1 11 11 CYS H H 11 7.440 7.440 7.917 -0.477 25302 2769 1 15 . 1 1 12 12 CYS N N 12 122.475 122.475 123.388 -0.913 25302 2770 1 15 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.721 -0.093 25302 2771 1 15 . 1 1 12 12 CYS C C 12 174.330 174.330 175.641 -1.311 25302 2772 1 15 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.357 -4.122 25302 2773 1 15 . 1 1 12 12 CYS CB C 12 40.251 40.251 26.762 13.489 25302 2774 1 15 . 1 1 12 12 CYS H H 12 9.249 9.249 8.460 0.789 25302 2775 1 15 . 1 1 13 13 GLY N N 13 110.237 110.237 111.606 -1.369 25302 2776 1 15 . 1 1 13 13 GLY C C 13 173.730 173.730 174.221 -0.491 25302 2777 1 15 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.598 0.177 25302 2778 1 15 . 1 1 13 13 GLY H H 13 8.676 8.676 8.387 0.289 25302 2779 1 15 . 1 1 14 14 ARG N N 14 123.065 123.065 125.287 -2.222 25302 2780 1 15 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.444 0.225 25302 2781 1 15 . 1 1 14 14 ARG C C 14 176.773 176.773 177.077 -0.304 25302 2782 1 15 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.161 -0.520 25302 2783 1 15 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.406 2.325 25302 2784 1 15 . 1 1 14 14 ARG H H 14 8.255 8.255 8.366 -0.111 25302 2785 1 15 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.349 -0.126 25302 2786 1 15 . 1 1 15 15 PRO C C 15 176.628 176.628 176.599 0.029 25302 2787 1 15 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.562 0.680 25302 2788 1 15 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.682 0.044 25302 2789 1 15 . 1 1 16 16 ASP N N 16 113.958 113.958 115.079 -1.121 25302 2790 1 15 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.568 -0.194 25302 2791 1 15 . 1 1 16 16 ASP C C 16 176.667 176.667 176.886 -0.219 25302 2792 1 15 . 1 1 16 16 ASP CA C 16 53.356 53.356 53.784 -0.428 25302 2793 1 15 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.602 -1.044 25302 2794 1 15 . 1 1 16 16 ASP H H 16 7.732 7.732 8.281 -0.549 25302 2795 1 15 . 1 1 17 17 GLY N N 17 108.298 108.298 106.623 1.675 25302 2796 1 15 . 1 1 17 17 GLY C C 17 174.120 174.120 174.055 0.065 25302 2797 1 15 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.738 -0.137 25302 2798 1 15 . 1 1 17 17 GLY H H 17 8.123 8.123 7.896 0.227 25302 2799 1 15 . 1 1 18 18 ALA N N 18 123.792 123.792 123.427 0.365 25302 2800 1 15 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.324 -0.174 25302 2801 1 15 . 1 1 18 18 ALA C C 18 176.098 176.098 176.595 -0.497 25302 2802 1 15 . 1 1 18 18 ALA CA C 18 52.340 52.340 52.261 0.079 25302 2803 1 15 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.630 -0.404 25302 2804 1 15 . 1 1 18 18 ALA H H 18 7.572 7.572 7.583 -0.011 25302 2805 1 15 . 1 1 19 19 LYS N N 19 119.628 119.628 122.529 -2.901 25302 2806 1 15 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.363 0.688 25302 2807 1 15 . 1 1 19 19 LYS C C 19 176.655 176.655 176.028 0.627 25302 2808 1 15 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.119 -0.614 25302 2809 1 15 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.776 3.039 25302 2810 1 15 . 1 1 19 19 LYS H H 19 7.970 7.970 8.311 -0.341 25302 2811 1 15 . 1 1 20 20 VAL N N 20 116.531 116.531 127.074 -10.543 25302 2812 1 15 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.083 0.534 25302 2813 1 15 . 1 1 20 20 VAL C C 20 174.216 174.216 174.443 -0.227 25302 2814 1 15 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.377 -2.318 25302 2815 1 15 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.709 4.853 25302 2816 1 15 . 1 1 20 20 VAL H H 20 8.757 8.757 8.254 0.503 25302 2817 1 15 . 1 1 21 21 CYS N N 21 119.357 119.357 125.815 -6.458 25302 2818 1 15 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.879 -0.027 25302 2819 1 15 . 1 1 21 21 CYS C C 21 172.912 172.912 173.832 -0.920 25302 2820 1 15 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.550 -2.539 25302 2821 1 15 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.234 16.090 25302 2822 1 15 . 1 1 21 21 CYS H H 21 8.386 8.386 8.392 -0.006 25302 2823 1 15 . 1 1 22 22 ASN N N 22 121.561 121.561 121.303 0.258 25302 2824 1 15 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.815 -0.302 25302 2825 1 15 . 1 1 22 22 ASN C C 22 174.084 174.084 174.574 -0.490 25302 2826 1 15 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.774 -0.232 25302 2827 1 15 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.912 -1.969 25302 2828 1 15 . 1 1 22 22 ASN H H 22 9.693 9.693 8.848 0.845 25302 2829 1 15 . 1 1 23 23 ASP N N 23 121.712 121.712 118.716 2.996 25302 2830 1 15 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.495 -0.186 25302 2831 1 15 . 1 1 23 23 ASP C C 23 174.448 174.448 175.250 -0.802 25302 2832 1 15 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.516 0.814 25302 2833 1 15 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.135 -0.935 25302 2834 1 15 . 1 1 23 23 ASP H H 23 8.321 8.321 8.498 -0.177 25302 2835 1 15 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.403 -0.038 25302 2836 1 15 . 1 1 24 24 PRO C C 24 174.513 174.513 175.858 -1.345 25302 2837 1 15 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.031 1.594 25302 2838 1 15 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.574 1.293 25302 2839 1 15 . 1 1 25 25 TRP N N 25 125.765 125.765 120.212 5.553 25302 2840 1 15 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.574 0.136 25302 2841 1 15 . 1 1 25 25 TRP C C 25 174.307 174.307 176.716 -2.409 25302 2842 1 15 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.938 -0.205 25302 2843 1 15 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.721 0.330 25302 2844 1 15 . 1 1 25 25 TRP H H 25 8.334 8.334 7.069 1.265 25302 2845 1 15 . 1 1 26 26 VAL N N 26 114.147 114.147 116.369 -2.222 25302 2846 1 15 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.663 -0.292 25302 2847 1 15 . 1 1 26 26 VAL C C 26 174.295 174.295 174.911 -0.616 25302 2848 1 15 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.876 -0.713 25302 2849 1 15 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.150 0.128 25302 2850 1 15 . 1 1 26 26 VAL H H 26 8.952 8.952 8.906 0.046 25302 2851 1 15 . 1 1 27 27 CYS N N 27 122.366 122.366 124.944 -2.578 25302 2852 1 15 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.773 -0.408 25302 2853 1 15 . 1 1 27 27 CYS C C 27 174.268 174.268 175.658 -1.390 25302 2854 1 15 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.542 -1.886 25302 2855 1 15 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.156 13.711 25302 2856 1 15 . 1 1 27 27 CYS H H 27 8.747 8.747 8.587 0.160 25302 2857 1 15 . 1 1 28 28 ILE N N 28 133.803 133.803 130.896 2.907 25302 2858 1 15 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.169 -0.037 25302 2859 1 15 . 1 1 28 28 ILE C C 28 177.492 177.492 176.288 1.204 25302 2860 1 15 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.654 -2.159 25302 2861 1 15 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.354 -3.836 25302 2862 1 15 . 1 1 28 28 ILE H H 28 8.763 8.763 8.637 0.126 25302 2863 1 15 . 1 1 29 29 LEU N N 29 128.360 128.360 130.481 -2.121 25302 2864 1 15 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.182 -0.315 25302 2865 1 15 . 1 1 29 29 LEU C C 29 179.282 179.282 178.097 1.185 25302 2866 1 15 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.560 0.484 25302 2867 1 15 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.388 0.834 25302 2868 1 15 . 1 1 29 29 LEU H H 29 8.452 8.452 8.889 -0.437 25302 2869 1 15 . 1 1 30 30 THR N N 30 108.140 108.140 114.528 -6.388 25302 2870 1 15 . 1 1 30 30 THR HA H 30 3.929 3.929 4.133 -0.204 25302 2871 1 15 . 1 1 30 30 THR C C 30 175.393 175.393 175.464 -0.071 25302 2872 1 15 . 1 1 30 30 THR CA C 30 64.119 64.119 64.701 -0.582 25302 2873 1 15 . 1 1 30 30 THR CB C 30 67.994 67.994 68.739 -0.745 25302 2874 1 15 . 1 1 30 30 THR H H 30 7.589 7.589 8.275 -0.686 25302 2875 1 15 . 1 1 31 31 SER N N 31 112.240 112.240 115.240 -3.000 25302 2876 1 15 . 1 1 31 31 SER HA H 31 4.446 4.446 4.572 -0.126 25302 2877 1 15 . 1 1 31 31 SER C C 31 174.912 174.912 174.585 0.327 25302 2878 1 15 . 1 1 31 31 SER CA C 31 56.859 56.859 58.478 -1.619 25302 2879 1 15 . 1 1 31 31 SER CB C 31 64.760 64.760 63.865 0.895 25302 2880 1 15 . 1 1 31 31 SER H H 31 7.002 7.002 7.598 -0.596 25302 2881 1 15 . 1 1 32 32 SER N N 32 118.529 118.529 116.289 2.240 25302 2882 1 15 . 1 1 32 32 SER HA H 32 3.604 3.604 4.071 -0.467 25302 2883 1 15 . 1 1 32 32 SER C C 32 174.998 174.998 173.151 1.847 25302 2884 1 15 . 1 1 32 32 SER CA C 32 59.523 59.523 59.904 -0.381 25302 2885 1 15 . 1 1 32 32 SER CB C 32 62.111 62.111 61.084 1.027 25302 2886 1 15 . 1 1 32 32 SER H H 32 8.558 8.558 8.146 0.412 25302 2887 1 15 . 1 1 33 33 ARG N N 33 117.830 117.830 113.810 4.020 25302 2888 1 15 . 1 1 33 33 ARG HA H 33 4.824 4.824 5.081 -0.257 25302 2889 1 15 . 1 1 33 33 ARG C C 33 175.115 175.115 174.851 0.264 25302 2890 1 15 . 1 1 33 33 ARG CA C 33 53.420 53.420 54.043 -0.623 25302 2891 1 15 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.595 0.941 25302 2892 1 15 . 1 1 33 33 ARG H H 33 7.215 7.215 7.609 -0.394 25302 2893 1 15 . 1 1 34 34 CYS N N 34 120.813 120.813 122.262 -1.449 25302 2894 1 15 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.950 0.110 25302 2895 1 15 . 1 1 34 34 CYS C C 34 175.041 175.041 174.873 0.168 25302 2896 1 15 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.171 -5.476 25302 2897 1 15 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.223 15.886 25302 2898 1 15 . 1 1 34 34 CYS H H 34 8.284 8.284 8.680 -0.396 25302 2899 1 15 . 1 1 35 35 GLU N N 35 123.396 123.396 125.011 -1.615 25302 2900 1 15 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.569 0.186 25302 2901 1 15 . 1 1 35 35 GLU C C 35 175.069 175.069 175.267 -0.198 25302 2902 1 15 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.485 -0.144 25302 2903 1 15 . 1 1 35 35 GLU CB C 35 33.163 33.163 34.001 -0.838 25302 2904 1 15 . 1 1 35 35 GLU H H 35 9.226 9.226 8.796 0.430 25302 2905 1 15 . 1 1 36 36 ASN N N 36 118.081 118.081 117.837 0.244 25302 2906 1 15 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.049 0.040 25302 2907 1 15 . 1 1 36 36 ASN C C 36 172.567 172.567 174.022 -1.455 25302 2908 1 15 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.524 -0.070 25302 2909 1 15 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.931 0.467 25302 2910 1 15 . 1 1 36 36 ASN H H 36 8.540 8.540 8.832 -0.292 25302 2911 1 16 . 1 1 2 2 GLY N N 2 109.171 109.171 108.941 0.230 25302 2912 1 16 . 1 1 2 2 GLY C C 2 173.848 173.848 174.162 -0.314 25302 2913 1 16 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.632 -0.453 25302 2914 1 16 . 1 1 2 2 GLY H H 2 8.599 8.599 8.725 -0.126 25302 2915 1 16 . 1 1 3 3 GLU N N 3 120.814 120.814 117.575 3.239 25302 2916 1 16 . 1 1 3 3 GLU HA H 3 4.115 4.115 5.027 -0.912 25302 2917 1 16 . 1 1 3 3 GLU C C 3 175.221 175.221 174.953 0.268 25302 2918 1 16 . 1 1 3 3 GLU CA C 3 57.148 57.148 54.935 2.213 25302 2919 1 16 . 1 1 3 3 GLU CB C 3 29.301 29.301 32.489 -3.188 25302 2920 1 16 . 1 1 3 3 GLU H H 3 8.477 8.477 7.666 0.811 25302 2921 1 16 . 1 1 4 4 CYS N N 4 115.823 115.823 116.575 -0.752 25302 2922 1 16 . 1 1 4 4 CYS HA H 4 4.906 4.906 4.889 0.017 25302 2923 1 16 . 1 1 4 4 CYS C C 4 174.789 174.789 174.745 0.044 25302 2924 1 16 . 1 1 4 4 CYS CA C 4 54.123 54.123 58.258 -4.135 25302 2925 1 16 . 1 1 4 4 CYS CB C 4 46.590 46.590 30.180 16.410 25302 2926 1 16 . 1 1 4 4 CYS H H 4 8.050 8.050 8.497 -0.447 25302 2927 1 16 . 1 1 5 5 GLY N N 5 105.602 105.602 110.941 -5.339 25302 2928 1 16 . 1 1 5 5 GLY C C 5 173.331 173.331 173.590 -0.259 25302 2929 1 16 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.453 2.236 25302 2930 1 16 . 1 1 5 5 GLY H H 5 8.272 8.272 8.690 -0.418 25302 2931 1 16 . 1 1 6 6 ASP N N 6 119.525 119.525 119.360 0.165 25302 2932 1 16 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.974 0.202 25302 2933 1 16 . 1 1 6 6 ASP C C 6 174.303 174.303 175.627 -1.324 25302 2934 1 16 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.974 -1.150 25302 2935 1 16 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.811 -1.358 25302 2936 1 16 . 1 1 6 6 ASP H H 6 7.399 7.399 8.004 -0.605 25302 2937 1 16 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.732 -1.342 25302 2938 1 16 . 1 1 7 7 LYS C C 7 176.491 176.491 176.308 0.183 25302 2939 1 16 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.175 0.733 25302 2940 1 16 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.194 0.121 25302 2941 1 16 . 1 1 8 8 ASP N N 8 118.123 118.123 122.096 -3.973 25302 2942 1 16 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.123 -0.150 25302 2943 1 16 . 1 1 8 8 ASP C C 8 174.603 174.603 174.843 -0.240 25302 2944 1 16 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.643 0.957 25302 2945 1 16 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.464 -0.338 25302 2946 1 16 . 1 1 8 8 ASP H H 8 8.763 8.763 8.625 0.138 25302 2947 1 16 . 1 1 9 9 GLU N N 9 119.080 119.080 118.411 0.669 25302 2948 1 16 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.715 -0.248 25302 2949 1 16 . 1 1 9 9 GLU C C 9 172.723 172.723 174.373 -1.650 25302 2950 1 16 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.526 0.930 25302 2951 1 16 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.731 -4.222 25302 2952 1 16 . 1 1 9 9 GLU H H 9 7.842 7.842 7.628 0.214 25302 2953 1 16 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.450 0.438 25302 2954 1 16 . 1 1 10 10 PRO C C 10 175.963 175.963 176.837 -0.874 25302 2955 1 16 . 1 1 10 10 PRO CA C 10 62.124 62.124 63.057 -0.933 25302 2956 1 16 . 1 1 10 10 PRO CB C 10 32.371 32.371 30.946 1.425 25302 2957 1 16 . 1 1 11 11 CYS N N 11 117.256 117.256 121.208 -3.952 25302 2958 1 16 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.842 -0.448 25302 2959 1 16 . 1 1 11 11 CYS C C 11 175.560 175.560 176.004 -0.444 25302 2960 1 16 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.866 -1.424 25302 2961 1 16 . 1 1 11 11 CYS CB C 11 40.671 40.671 26.396 14.275 25302 2962 1 16 . 1 1 11 11 CYS H H 11 7.440 7.440 7.961 -0.521 25302 2963 1 16 . 1 1 12 12 CYS N N 12 122.475 122.475 123.871 -1.396 25302 2964 1 16 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.632 -0.004 25302 2965 1 16 . 1 1 12 12 CYS C C 12 174.330 174.330 175.671 -1.341 25302 2966 1 16 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.108 -3.873 25302 2967 1 16 . 1 1 12 12 CYS CB C 12 40.251 40.251 26.500 13.751 25302 2968 1 16 . 1 1 12 12 CYS H H 12 9.249 9.249 8.442 0.807 25302 2969 1 16 . 1 1 13 13 GLY N N 13 110.237 110.237 112.757 -2.520 25302 2970 1 16 . 1 1 13 13 GLY C C 13 173.730 173.730 174.016 -0.286 25302 2971 1 16 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.732 0.043 25302 2972 1 16 . 1 1 13 13 GLY H H 13 8.676 8.676 8.441 0.235 25302 2973 1 16 . 1 1 14 14 ARG N N 14 123.065 123.065 126.044 -2.979 25302 2974 1 16 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.273 0.396 25302 2975 1 16 . 1 1 14 14 ARG C C 14 176.773 176.773 176.481 0.292 25302 2976 1 16 . 1 1 14 14 ARG CA C 14 53.641 53.641 55.406 -1.765 25302 2977 1 16 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.706 2.025 25302 2978 1 16 . 1 1 14 14 ARG H H 14 8.255 8.255 8.174 0.081 25302 2979 1 16 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.229 -0.006 25302 2980 1 16 . 1 1 15 15 PRO C C 15 176.628 176.628 176.863 -0.235 25302 2981 1 16 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.779 0.463 25302 2982 1 16 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.538 0.188 25302 2983 1 16 . 1 1 16 16 ASP N N 16 113.958 113.958 114.346 -0.388 25302 2984 1 16 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.526 -0.152 25302 2985 1 16 . 1 1 16 16 ASP C C 16 176.667 176.667 177.214 -0.547 25302 2986 1 16 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.320 -0.964 25302 2987 1 16 . 1 1 16 16 ASP CB C 16 39.558 39.558 41.018 -1.460 25302 2988 1 16 . 1 1 16 16 ASP H H 16 7.732 7.732 8.340 -0.608 25302 2989 1 16 . 1 1 17 17 GLY N N 17 108.298 108.298 108.135 0.163 25302 2990 1 16 . 1 1 17 17 GLY C C 17 174.120 174.120 173.472 0.648 25302 2991 1 16 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.644 -0.043 25302 2992 1 16 . 1 1 17 17 GLY H H 17 8.123 8.123 7.990 0.133 25302 2993 1 16 . 1 1 18 18 ALA N N 18 123.792 123.792 124.319 -0.527 25302 2994 1 16 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.318 -0.168 25302 2995 1 16 . 1 1 18 18 ALA C C 18 176.098 176.098 176.709 -0.611 25302 2996 1 16 . 1 1 18 18 ALA CA C 18 52.340 52.340 52.152 0.188 25302 2997 1 16 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.472 -0.246 25302 2998 1 16 . 1 1 18 18 ALA H H 18 7.572 7.572 7.633 -0.061 25302 2999 1 16 . 1 1 19 19 LYS N N 19 119.628 119.628 124.611 -4.983 25302 3000 1 16 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.299 0.752 25302 3001 1 16 . 1 1 19 19 LYS C C 19 176.655 176.655 175.448 1.207 25302 3002 1 16 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.129 -0.624 25302 3003 1 16 . 1 1 19 19 LYS CB C 19 35.815 35.815 31.901 3.913 25302 3004 1 16 . 1 1 19 19 LYS H H 19 7.970 7.970 8.585 -0.615 25302 3005 1 16 . 1 1 20 20 VAL N N 20 116.531 116.531 126.488 -9.957 25302 3006 1 16 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.049 0.568 25302 3007 1 16 . 1 1 20 20 VAL C C 20 174.216 174.216 174.770 -0.554 25302 3008 1 16 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.404 -2.345 25302 3009 1 16 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.021 5.541 25302 3010 1 16 . 1 1 20 20 VAL H H 20 8.757 8.757 7.996 0.761 25302 3011 1 16 . 1 1 21 21 CYS N N 21 119.357 119.357 125.270 -5.913 25302 3012 1 16 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.794 0.058 25302 3013 1 16 . 1 1 21 21 CYS C C 21 172.912 172.912 173.802 -0.890 25302 3014 1 16 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.879 -2.868 25302 3015 1 16 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.921 15.403 25302 3016 1 16 . 1 1 21 21 CYS H H 21 8.386 8.386 8.459 -0.073 25302 3017 1 16 . 1 1 22 22 ASN N N 22 121.561 121.561 121.533 0.028 25302 3018 1 16 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.730 -0.217 25302 3019 1 16 . 1 1 22 22 ASN C C 22 174.084 174.084 174.532 -0.448 25302 3020 1 16 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.937 -0.395 25302 3021 1 16 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.465 -1.522 25302 3022 1 16 . 1 1 22 22 ASN H H 22 9.693 9.693 8.798 0.895 25302 3023 1 16 . 1 1 23 23 ASP N N 23 121.712 121.712 121.903 -0.191 25302 3024 1 16 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.587 -0.278 25302 3025 1 16 . 1 1 23 23 ASP C C 23 174.448 174.448 175.636 -1.188 25302 3026 1 16 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.495 0.835 25302 3027 1 16 . 1 1 23 23 ASP CB C 23 40.200 40.200 40.668 -0.468 25302 3028 1 16 . 1 1 23 23 ASP H H 23 8.321 8.321 8.538 -0.217 25302 3029 1 16 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.429 -0.064 25302 3030 1 16 . 1 1 24 24 PRO C C 24 174.513 174.513 175.924 -1.411 25302 3031 1 16 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.383 1.242 25302 3032 1 16 . 1 1 24 24 PRO CB C 24 32.867 32.867 32.155 0.712 25302 3033 1 16 . 1 1 25 25 TRP N N 25 125.765 125.765 120.215 5.550 25302 3034 1 16 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.570 0.140 25302 3035 1 16 . 1 1 25 25 TRP C C 25 174.307 174.307 176.893 -2.586 25302 3036 1 16 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.662 0.071 25302 3037 1 16 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.553 0.498 25302 3038 1 16 . 1 1 25 25 TRP H H 25 8.334 8.334 6.969 1.365 25302 3039 1 16 . 1 1 26 26 VAL N N 26 114.147 114.147 117.135 -2.988 25302 3040 1 16 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.715 -0.344 25302 3041 1 16 . 1 1 26 26 VAL C C 26 174.295 174.295 174.988 -0.693 25302 3042 1 16 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.919 -0.756 25302 3043 1 16 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.041 0.237 25302 3044 1 16 . 1 1 26 26 VAL H H 26 8.952 8.952 8.562 0.390 25302 3045 1 16 . 1 1 27 27 CYS N N 27 122.366 122.366 125.748 -3.382 25302 3046 1 16 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.759 -0.394 25302 3047 1 16 . 1 1 27 27 CYS C C 27 174.268 174.268 175.486 -1.218 25302 3048 1 16 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.570 -1.914 25302 3049 1 16 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.058 13.809 25302 3050 1 16 . 1 1 27 27 CYS H H 27 8.747 8.747 8.862 -0.115 25302 3051 1 16 . 1 1 28 28 ILE N N 28 133.803 133.803 131.213 2.590 25302 3052 1 16 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.102 0.030 25302 3053 1 16 . 1 1 28 28 ILE C C 28 177.492 177.492 176.246 1.246 25302 3054 1 16 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.872 -2.377 25302 3055 1 16 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.077 -3.559 25302 3056 1 16 . 1 1 28 28 ILE H H 28 8.763 8.763 8.565 0.198 25302 3057 1 16 . 1 1 29 29 LEU N N 29 128.360 128.360 130.240 -1.880 25302 3058 1 16 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.157 -0.290 25302 3059 1 16 . 1 1 29 29 LEU C C 29 179.282 179.282 178.093 1.189 25302 3060 1 16 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.277 0.767 25302 3061 1 16 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.196 1.026 25302 3062 1 16 . 1 1 29 29 LEU H H 29 8.452 8.452 8.872 -0.420 25302 3063 1 16 . 1 1 30 30 THR N N 30 108.140 108.140 115.086 -6.946 25302 3064 1 16 . 1 1 30 30 THR HA H 30 3.929 3.929 4.120 -0.191 25302 3065 1 16 . 1 1 30 30 THR C C 30 175.393 175.393 175.783 -0.390 25302 3066 1 16 . 1 1 30 30 THR CA C 30 64.119 64.119 64.745 -0.626 25302 3067 1 16 . 1 1 30 30 THR CB C 30 67.994 67.994 68.733 -0.739 25302 3068 1 16 . 1 1 30 30 THR H H 30 7.589 7.589 8.219 -0.630 25302 3069 1 16 . 1 1 31 31 SER N N 31 112.240 112.240 116.200 -3.960 25302 3070 1 16 . 1 1 31 31 SER HA H 31 4.446 4.446 4.477 -0.031 25302 3071 1 16 . 1 1 31 31 SER C C 31 174.912 174.912 174.687 0.225 25302 3072 1 16 . 1 1 31 31 SER CA C 31 56.859 56.859 58.699 -1.840 25302 3073 1 16 . 1 1 31 31 SER CB C 31 64.760 64.760 63.714 1.046 25302 3074 1 16 . 1 1 31 31 SER H H 31 7.002 7.002 7.845 -0.843 25302 3075 1 16 . 1 1 32 32 SER N N 32 118.529 118.529 114.799 3.730 25302 3076 1 16 . 1 1 32 32 SER HA H 32 3.604 3.604 4.108 -0.504 25302 3077 1 16 . 1 1 32 32 SER C C 32 174.998 174.998 173.384 1.614 25302 3078 1 16 . 1 1 32 32 SER CA C 32 59.523 59.523 59.956 -0.433 25302 3079 1 16 . 1 1 32 32 SER CB C 32 62.111 62.111 61.443 0.668 25302 3080 1 16 . 1 1 32 32 SER H H 32 8.558 8.558 7.991 0.567 25302 3081 1 16 . 1 1 33 33 ARG N N 33 117.830 117.830 114.313 3.517 25302 3082 1 16 . 1 1 33 33 ARG HA H 33 4.824 4.824 5.038 -0.214 25302 3083 1 16 . 1 1 33 33 ARG C C 33 175.115 175.115 174.925 0.190 25302 3084 1 16 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.702 -0.282 25302 3085 1 16 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.705 0.831 25302 3086 1 16 . 1 1 33 33 ARG H H 33 7.215 7.215 7.505 -0.290 25302 3087 1 16 . 1 1 34 34 CYS N N 34 120.813 120.813 122.051 -1.238 25302 3088 1 16 . 1 1 34 34 CYS HA H 34 5.060 5.060 5.012 0.048 25302 3089 1 16 . 1 1 34 34 CYS C C 34 175.041 175.041 174.930 0.111 25302 3090 1 16 . 1 1 34 34 CYS CA C 34 53.695 53.695 58.991 -5.296 25302 3091 1 16 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.363 15.746 25302 3092 1 16 . 1 1 34 34 CYS H H 34 8.284 8.284 8.697 -0.413 25302 3093 1 16 . 1 1 35 35 GLU N N 35 123.396 123.396 124.041 -0.645 25302 3094 1 16 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.627 0.128 25302 3095 1 16 . 1 1 35 35 GLU C C 35 175.069 175.069 175.493 -0.424 25302 3096 1 16 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.573 -0.232 25302 3097 1 16 . 1 1 35 35 GLU CB C 35 33.163 33.163 34.277 -1.114 25302 3098 1 16 . 1 1 35 35 GLU H H 35 9.226 9.226 8.842 0.384 25302 3099 1 16 . 1 1 36 36 ASN N N 36 118.081 118.081 118.522 -0.441 25302 3100 1 16 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.113 -0.024 25302 3101 1 16 . 1 1 36 36 ASN C C 36 172.567 172.567 173.979 -1.412 25302 3102 1 16 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.025 0.429 25302 3103 1 16 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.892 0.506 25302 3104 1 16 . 1 1 36 36 ASN H H 36 8.540 8.540 8.679 -0.139 25302 3105 1 17 . 1 1 2 2 GLY N N 2 109.171 109.171 109.063 0.108 25302 3106 1 17 . 1 1 2 2 GLY C C 2 173.848 173.848 174.229 -0.381 25302 3107 1 17 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.341 -0.162 25302 3108 1 17 . 1 1 2 2 GLY H H 2 8.599 8.599 8.722 -0.123 25302 3109 1 17 . 1 1 3 3 GLU N N 3 120.814 120.814 120.116 0.698 25302 3110 1 17 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.656 -0.541 25302 3111 1 17 . 1 1 3 3 GLU C C 3 175.221 175.221 174.862 0.359 25302 3112 1 17 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.385 1.763 25302 3113 1 17 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.593 -2.292 25302 3114 1 17 . 1 1 3 3 GLU H H 3 8.477 8.477 8.207 0.270 25302 3115 1 17 . 1 1 4 4 CYS N N 4 115.823 115.823 115.586 0.237 25302 3116 1 17 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.382 -0.476 25302 3117 1 17 . 1 1 4 4 CYS C C 4 174.789 174.789 175.051 -0.262 25302 3118 1 17 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.088 -2.965 25302 3119 1 17 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.882 16.708 25302 3120 1 17 . 1 1 4 4 CYS H H 4 8.050 8.050 8.359 -0.309 25302 3121 1 17 . 1 1 5 5 GLY N N 5 105.602 105.602 113.594 -7.992 25302 3122 1 17 . 1 1 5 5 GLY C C 5 173.331 173.331 173.375 -0.044 25302 3123 1 17 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.276 2.413 25302 3124 1 17 . 1 1 5 5 GLY H H 5 8.272 8.272 8.889 -0.617 25302 3125 1 17 . 1 1 6 6 ASP N N 6 119.525 119.525 119.291 0.234 25302 3126 1 17 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.889 0.287 25302 3127 1 17 . 1 1 6 6 ASP C C 6 174.303 174.303 175.229 -0.926 25302 3128 1 17 . 1 1 6 6 ASP CA C 6 51.824 51.824 53.061 -1.237 25302 3129 1 17 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.221 -0.768 25302 3130 1 17 . 1 1 6 6 ASP H H 6 7.399 7.399 7.982 -0.583 25302 3131 1 17 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.820 -1.430 25302 3132 1 17 . 1 1 7 7 LYS C C 7 176.491 176.491 176.062 0.429 25302 3133 1 17 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.653 0.255 25302 3134 1 17 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.194 0.121 25302 3135 1 17 . 1 1 8 8 ASP N N 8 118.123 118.123 121.680 -3.557 25302 3136 1 17 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.147 -0.174 25302 3137 1 17 . 1 1 8 8 ASP C C 8 174.603 174.603 175.130 -0.527 25302 3138 1 17 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.541 1.059 25302 3139 1 17 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.700 -0.575 25302 3140 1 17 . 1 1 8 8 ASP H H 8 8.763 8.763 8.294 0.469 25302 3141 1 17 . 1 1 9 9 GLU N N 9 119.080 119.080 118.670 0.410 25302 3142 1 17 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.758 -0.291 25302 3143 1 17 . 1 1 9 9 GLU C C 9 172.723 172.723 174.291 -1.568 25302 3144 1 17 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.601 0.855 25302 3145 1 17 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.828 -4.319 25302 3146 1 17 . 1 1 9 9 GLU H H 9 7.842 7.842 7.704 0.138 25302 3147 1 17 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.610 0.278 25302 3148 1 17 . 1 1 10 10 PRO C C 10 175.963 175.963 176.800 -0.837 25302 3149 1 17 . 1 1 10 10 PRO CA C 10 62.124 62.124 63.005 -0.881 25302 3150 1 17 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.463 0.908 25302 3151 1 17 . 1 1 11 11 CYS N N 11 117.256 117.256 119.690 -2.434 25302 3152 1 17 . 1 1 11 11 CYS HA H 11 4.394 4.394 5.022 -0.628 25302 3153 1 17 . 1 1 11 11 CYS C C 11 175.560 175.560 176.044 -0.484 25302 3154 1 17 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.389 -0.947 25302 3155 1 17 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.785 12.886 25302 3156 1 17 . 1 1 11 11 CYS H H 11 7.440 7.440 8.137 -0.697 25302 3157 1 17 . 1 1 12 12 CYS N N 12 122.475 122.475 122.723 -0.248 25302 3158 1 17 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.794 -0.166 25302 3159 1 17 . 1 1 12 12 CYS C C 12 174.330 174.330 175.787 -1.457 25302 3160 1 17 . 1 1 12 12 CYS CA C 12 53.235 53.235 56.627 -3.392 25302 3161 1 17 . 1 1 12 12 CYS CB C 12 40.251 40.251 26.021 14.230 25302 3162 1 17 . 1 1 12 12 CYS H H 12 9.249 9.249 8.796 0.453 25302 3163 1 17 . 1 1 13 13 GLY N N 13 110.237 110.237 112.878 -2.641 25302 3164 1 17 . 1 1 13 13 GLY C C 13 173.730 173.730 173.871 -0.141 25302 3165 1 17 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.590 0.185 25302 3166 1 17 . 1 1 13 13 GLY H H 13 8.676 8.676 8.348 0.328 25302 3167 1 17 . 1 1 14 14 ARG N N 14 123.065 123.065 126.081 -3.016 25302 3168 1 17 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.249 0.420 25302 3169 1 17 . 1 1 14 14 ARG C C 14 176.773 176.773 176.901 -0.128 25302 3170 1 17 . 1 1 14 14 ARG CA C 14 53.641 53.641 55.385 -1.744 25302 3171 1 17 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.644 2.087 25302 3172 1 17 . 1 1 14 14 ARG H H 14 8.255 8.255 8.077 0.178 25302 3173 1 17 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.257 -0.034 25302 3174 1 17 . 1 1 15 15 PRO C C 15 176.628 176.628 176.518 0.110 25302 3175 1 17 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.922 0.320 25302 3176 1 17 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.314 0.412 25302 3177 1 17 . 1 1 16 16 ASP N N 16 113.958 113.958 116.933 -2.975 25302 3178 1 17 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.532 -0.158 25302 3179 1 17 . 1 1 16 16 ASP C C 16 176.667 176.667 176.954 -0.287 25302 3180 1 17 . 1 1 16 16 ASP CA C 16 53.356 53.356 53.690 -0.334 25302 3181 1 17 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.047 -0.489 25302 3182 1 17 . 1 1 16 16 ASP H H 16 7.732 7.732 7.931 -0.199 25302 3183 1 17 . 1 1 17 17 GLY N N 17 108.298 108.298 109.561 -1.263 25302 3184 1 17 . 1 1 17 17 GLY C C 17 174.120 174.120 173.441 0.679 25302 3185 1 17 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.992 -0.391 25302 3186 1 17 . 1 1 17 17 GLY H H 17 8.123 8.123 8.066 0.057 25302 3187 1 17 . 1 1 18 18 ALA N N 18 123.792 123.792 122.745 1.047 25302 3188 1 17 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.574 -0.424 25302 3189 1 17 . 1 1 18 18 ALA C C 18 176.098 176.098 176.501 -0.403 25302 3190 1 17 . 1 1 18 18 ALA CA C 18 52.340 52.340 50.764 1.576 25302 3191 1 17 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.918 -0.692 25302 3192 1 17 . 1 1 18 18 ALA H H 18 7.572 7.572 7.480 0.092 25302 3193 1 17 . 1 1 19 19 LYS N N 19 119.628 119.628 125.753 -6.125 25302 3194 1 17 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.251 0.800 25302 3195 1 17 . 1 1 19 19 LYS C C 19 176.655 176.655 175.669 0.986 25302 3196 1 17 . 1 1 19 19 LYS CA C 19 54.505 54.505 56.196 -1.691 25302 3197 1 17 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.255 3.560 25302 3198 1 17 . 1 1 19 19 LYS H H 19 7.970 7.970 8.588 -0.618 25302 3199 1 17 . 1 1 20 20 VAL N N 20 116.531 116.531 127.084 -10.553 25302 3200 1 17 . 1 1 20 20 VAL HA H 20 4.617 4.617 3.967 0.650 25302 3201 1 17 . 1 1 20 20 VAL C C 20 174.216 174.216 174.659 -0.443 25302 3202 1 17 . 1 1 20 20 VAL CA C 20 60.059 60.059 63.143 -3.084 25302 3203 1 17 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.849 4.713 25302 3204 1 17 . 1 1 20 20 VAL H H 20 8.757 8.757 8.038 0.719 25302 3205 1 17 . 1 1 21 21 CYS N N 21 119.357 119.357 125.448 -6.091 25302 3206 1 17 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.755 0.097 25302 3207 1 17 . 1 1 21 21 CYS C C 21 172.912 172.912 173.543 -0.631 25302 3208 1 17 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.700 -2.689 25302 3209 1 17 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.585 15.739 25302 3210 1 17 . 1 1 21 21 CYS H H 21 8.386 8.386 8.474 -0.088 25302 3211 1 17 . 1 1 22 22 ASN N N 22 121.561 121.561 121.702 -0.141 25302 3212 1 17 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.810 -0.297 25302 3213 1 17 . 1 1 22 22 ASN C C 22 174.084 174.084 174.742 -0.658 25302 3214 1 17 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.948 -0.406 25302 3215 1 17 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.771 -1.828 25302 3216 1 17 . 1 1 22 22 ASN H H 22 9.693 9.693 9.003 0.690 25302 3217 1 17 . 1 1 23 23 ASP N N 23 121.712 121.712 119.625 2.087 25302 3218 1 17 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.541 -0.232 25302 3219 1 17 . 1 1 23 23 ASP C C 23 174.448 174.448 175.107 -0.659 25302 3220 1 17 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.292 1.038 25302 3221 1 17 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.278 -1.077 25302 3222 1 17 . 1 1 23 23 ASP H H 23 8.321 8.321 8.479 -0.158 25302 3223 1 17 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.429 -0.064 25302 3224 1 17 . 1 1 24 24 PRO C C 24 174.513 174.513 175.519 -1.006 25302 3225 1 17 . 1 1 24 24 PRO CA C 24 63.625 63.625 61.958 1.667 25302 3226 1 17 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.134 1.733 25302 3227 1 17 . 1 1 25 25 TRP N N 25 125.765 125.765 121.352 4.413 25302 3228 1 17 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.787 -0.077 25302 3229 1 17 . 1 1 25 25 TRP C C 25 174.307 174.307 176.804 -2.497 25302 3230 1 17 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.178 0.555 25302 3231 1 17 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.646 0.405 25302 3232 1 17 . 1 1 25 25 TRP H H 25 8.334 8.334 7.155 1.179 25302 3233 1 17 . 1 1 26 26 VAL N N 26 114.147 114.147 117.882 -3.735 25302 3234 1 17 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.634 -0.263 25302 3235 1 17 . 1 1 26 26 VAL C C 26 174.295 174.295 175.107 -0.812 25302 3236 1 17 . 1 1 26 26 VAL CA C 26 59.163 59.163 60.218 -1.055 25302 3237 1 17 . 1 1 26 26 VAL CB C 26 35.278 35.278 34.136 1.142 25302 3238 1 17 . 1 1 26 26 VAL H H 26 8.952 8.952 8.610 0.342 25302 3239 1 17 . 1 1 27 27 CYS N N 27 122.366 122.366 126.925 -4.559 25302 3240 1 17 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.753 -0.388 25302 3241 1 17 . 1 1 27 27 CYS C C 27 174.268 174.268 175.712 -1.444 25302 3242 1 17 . 1 1 27 27 CYS CA C 27 56.656 56.656 57.799 -1.143 25302 3243 1 17 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.092 13.775 25302 3244 1 17 . 1 1 27 27 CYS H H 27 8.747 8.747 8.962 -0.215 25302 3245 1 17 . 1 1 28 28 ILE N N 28 133.803 133.803 130.397 3.406 25302 3246 1 17 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.149 -0.017 25302 3247 1 17 . 1 1 28 28 ILE C C 28 177.492 177.492 176.691 0.801 25302 3248 1 17 . 1 1 28 28 ILE CA C 28 58.495 58.495 61.578 -3.083 25302 3249 1 17 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.532 -4.014 25302 3250 1 17 . 1 1 28 28 ILE H H 28 8.763 8.763 8.376 0.387 25302 3251 1 17 . 1 1 29 29 LEU N N 29 128.360 128.360 129.174 -0.814 25302 3252 1 17 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.134 -0.267 25302 3253 1 17 . 1 1 29 29 LEU C C 29 179.282 179.282 178.292 0.990 25302 3254 1 17 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.821 0.223 25302 3255 1 17 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.167 1.055 25302 3256 1 17 . 1 1 29 29 LEU H H 29 8.452 8.452 8.822 -0.370 25302 3257 1 17 . 1 1 30 30 THR N N 30 108.140 108.140 114.732 -6.592 25302 3258 1 17 . 1 1 30 30 THR HA H 30 3.929 3.929 4.125 -0.196 25302 3259 1 17 . 1 1 30 30 THR C C 30 175.393 175.393 175.555 -0.162 25302 3260 1 17 . 1 1 30 30 THR CA C 30 64.119 64.119 64.720 -0.601 25302 3261 1 17 . 1 1 30 30 THR CB C 30 67.994 67.994 68.700 -0.706 25302 3262 1 17 . 1 1 30 30 THR H H 30 7.589 7.589 8.270 -0.681 25302 3263 1 17 . 1 1 31 31 SER N N 31 112.240 112.240 115.124 -2.884 25302 3264 1 17 . 1 1 31 31 SER HA H 31 4.446 4.446 4.566 -0.120 25302 3265 1 17 . 1 1 31 31 SER C C 31 174.912 174.912 174.573 0.339 25302 3266 1 17 . 1 1 31 31 SER CA C 31 56.859 56.859 58.458 -1.599 25302 3267 1 17 . 1 1 31 31 SER CB C 31 64.760 64.760 63.938 0.822 25302 3268 1 17 . 1 1 31 31 SER H H 31 7.002 7.002 7.657 -0.655 25302 3269 1 17 . 1 1 32 32 SER N N 32 118.529 118.529 115.226 3.303 25302 3270 1 17 . 1 1 32 32 SER HA H 32 3.604 3.604 4.075 -0.471 25302 3271 1 17 . 1 1 32 32 SER C C 32 174.998 174.998 173.197 1.801 25302 3272 1 17 . 1 1 32 32 SER CA C 32 59.523 59.523 59.877 -0.354 25302 3273 1 17 . 1 1 32 32 SER CB C 32 62.111 62.111 61.031 1.080 25302 3274 1 17 . 1 1 32 32 SER H H 32 8.558 8.558 8.159 0.399 25302 3275 1 17 . 1 1 33 33 ARG N N 33 117.830 117.830 114.475 3.355 25302 3276 1 17 . 1 1 33 33 ARG HA H 33 4.824 4.824 5.003 -0.179 25302 3277 1 17 . 1 1 33 33 ARG C C 33 175.115 175.115 174.969 0.146 25302 3278 1 17 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.923 -0.503 25302 3279 1 17 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.553 0.982 25302 3280 1 17 . 1 1 33 33 ARG H H 33 7.215 7.215 7.472 -0.257 25302 3281 1 17 . 1 1 34 34 CYS N N 34 120.813 120.813 122.580 -1.767 25302 3282 1 17 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.800 0.260 25302 3283 1 17 . 1 1 34 34 CYS C C 34 175.041 175.041 174.960 0.081 25302 3284 1 17 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.293 -5.598 25302 3285 1 17 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.854 16.255 25302 3286 1 17 . 1 1 34 34 CYS H H 34 8.284 8.284 8.702 -0.418 25302 3287 1 17 . 1 1 35 35 GLU N N 35 123.396 123.396 124.788 -1.392 25302 3288 1 17 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.620 0.135 25302 3289 1 17 . 1 1 35 35 GLU C C 35 175.069 175.069 175.898 -0.829 25302 3290 1 17 . 1 1 35 35 GLU CA C 35 54.341 54.341 55.122 -0.781 25302 3291 1 17 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.197 -0.034 25302 3292 1 17 . 1 1 35 35 GLU H H 35 9.226 9.226 8.383 0.843 25302 3293 1 17 . 1 1 36 36 ASN N N 36 118.081 118.081 117.295 0.786 25302 3294 1 17 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.081 0.008 25302 3295 1 17 . 1 1 36 36 ASN C C 36 172.567 172.567 174.030 -1.463 25302 3296 1 17 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.456 -0.002 25302 3297 1 17 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.816 0.581 25302 3298 1 17 . 1 1 36 36 ASN H H 36 8.540 8.540 8.713 -0.173 25302 3299 1 18 . 1 1 2 2 GLY N N 2 109.171 109.171 110.163 -0.992 25302 3300 1 18 . 1 1 2 2 GLY C C 2 173.848 173.848 173.799 0.049 25302 3301 1 18 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.101 0.078 25302 3302 1 18 . 1 1 2 2 GLY H H 2 8.599 8.599 8.763 -0.164 25302 3303 1 18 . 1 1 3 3 GLU N N 3 120.814 120.814 119.670 1.144 25302 3304 1 18 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.659 -0.544 25302 3305 1 18 . 1 1 3 3 GLU C C 3 175.221 175.221 174.569 0.652 25302 3306 1 18 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.139 2.009 25302 3307 1 18 . 1 1 3 3 GLU CB C 3 29.301 29.301 32.268 -2.967 25302 3308 1 18 . 1 1 3 3 GLU H H 3 8.477 8.477 7.989 0.488 25302 3309 1 18 . 1 1 4 4 CYS N N 4 115.823 115.823 115.826 -0.003 25302 3310 1 18 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.411 -0.505 25302 3311 1 18 . 1 1 4 4 CYS C C 4 174.789 174.789 174.763 0.026 25302 3312 1 18 . 1 1 4 4 CYS CA C 4 54.123 54.123 56.959 -2.836 25302 3313 1 18 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.871 16.719 25302 3314 1 18 . 1 1 4 4 CYS H H 4 8.050 8.050 8.397 -0.347 25302 3315 1 18 . 1 1 5 5 GLY N N 5 105.602 105.602 112.448 -6.846 25302 3316 1 18 . 1 1 5 5 GLY C C 5 173.331 173.331 172.997 0.334 25302 3317 1 18 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.311 2.378 25302 3318 1 18 . 1 1 5 5 GLY H H 5 8.272 8.272 8.679 -0.407 25302 3319 1 18 . 1 1 6 6 ASP N N 6 119.525 119.525 118.475 1.050 25302 3320 1 18 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.908 0.268 25302 3321 1 18 . 1 1 6 6 ASP C C 6 174.303 174.303 174.769 -0.466 25302 3322 1 18 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.539 -0.715 25302 3323 1 18 . 1 1 6 6 ASP CB C 6 41.453 41.453 43.068 -1.615 25302 3324 1 18 . 1 1 6 6 ASP H H 6 7.399 7.399 7.857 -0.458 25302 3325 1 18 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.767 -1.377 25302 3326 1 18 . 1 1 7 7 LYS C C 7 176.491 176.491 176.628 -0.137 25302 3327 1 18 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.381 0.527 25302 3328 1 18 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.410 -0.095 25302 3329 1 18 . 1 1 8 8 ASP N N 8 118.123 118.123 122.261 -4.138 25302 3330 1 18 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.224 -0.251 25302 3331 1 18 . 1 1 8 8 ASP C C 8 174.603 174.603 174.876 -0.273 25302 3332 1 18 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.787 0.813 25302 3333 1 18 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.997 -0.871 25302 3334 1 18 . 1 1 8 8 ASP H H 8 8.763 8.763 8.491 0.272 25302 3335 1 18 . 1 1 9 9 GLU N N 9 119.080 119.080 118.711 0.369 25302 3336 1 18 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.839 -0.372 25302 3337 1 18 . 1 1 9 9 GLU C C 9 172.723 172.723 174.025 -1.302 25302 3338 1 18 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.785 0.671 25302 3339 1 18 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.837 -4.328 25302 3340 1 18 . 1 1 9 9 GLU H H 9 7.842 7.842 7.494 0.348 25302 3341 1 18 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.529 0.359 25302 3342 1 18 . 1 1 10 10 PRO C C 10 175.963 175.963 176.298 -0.335 25302 3343 1 18 . 1 1 10 10 PRO CA C 10 62.124 62.124 63.057 -0.933 25302 3344 1 18 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.969 0.402 25302 3345 1 18 . 1 1 11 11 CYS N N 11 117.256 117.256 117.439 -0.183 25302 3346 1 18 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.995 -0.601 25302 3347 1 18 . 1 1 11 11 CYS C C 11 175.560 175.560 176.361 -0.801 25302 3348 1 18 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.109 -0.667 25302 3349 1 18 . 1 1 11 11 CYS CB C 11 40.671 40.671 28.439 12.232 25302 3350 1 18 . 1 1 11 11 CYS H H 11 7.440 7.440 8.096 -0.656 25302 3351 1 18 . 1 1 12 12 CYS N N 12 122.475 122.475 123.521 -1.046 25302 3352 1 18 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.638 -0.010 25302 3353 1 18 . 1 1 12 12 CYS C C 12 174.330 174.330 175.211 -0.881 25302 3354 1 18 . 1 1 12 12 CYS CA C 12 53.235 53.235 56.861 -3.626 25302 3355 1 18 . 1 1 12 12 CYS CB C 12 40.251 40.251 25.285 14.966 25302 3356 1 18 . 1 1 12 12 CYS H H 12 9.249 9.249 8.870 0.379 25302 3357 1 18 . 1 1 13 13 GLY N N 13 110.237 110.237 112.250 -2.013 25302 3358 1 18 . 1 1 13 13 GLY C C 13 173.730 173.730 173.772 -0.042 25302 3359 1 18 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.499 0.276 25302 3360 1 18 . 1 1 13 13 GLY H H 13 8.676 8.676 8.256 0.420 25302 3361 1 18 . 1 1 14 14 ARG N N 14 123.065 123.065 125.119 -2.054 25302 3362 1 18 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.539 0.130 25302 3363 1 18 . 1 1 14 14 ARG C C 14 176.773 176.773 175.937 0.836 25302 3364 1 18 . 1 1 14 14 ARG CA C 14 53.641 53.641 53.344 0.297 25302 3365 1 18 . 1 1 14 14 ARG CB C 14 31.731 31.731 30.559 1.171 25302 3366 1 18 . 1 1 14 14 ARG H H 14 8.255 8.255 8.032 0.223 25302 3367 1 18 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.369 -0.146 25302 3368 1 18 . 1 1 15 15 PRO C C 15 176.628 176.628 176.277 0.351 25302 3369 1 18 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.897 0.345 25302 3370 1 18 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.276 0.450 25302 3371 1 18 . 1 1 16 16 ASP N N 16 113.958 113.958 116.609 -2.651 25302 3372 1 18 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.492 -0.118 25302 3373 1 18 . 1 1 16 16 ASP C C 16 176.667 176.667 177.362 -0.695 25302 3374 1 18 . 1 1 16 16 ASP CA C 16 53.356 53.356 53.745 -0.389 25302 3375 1 18 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.725 -1.167 25302 3376 1 18 . 1 1 16 16 ASP H H 16 7.732 7.732 8.012 -0.280 25302 3377 1 18 . 1 1 17 17 GLY N N 17 108.298 108.298 106.365 1.933 25302 3378 1 18 . 1 1 17 17 GLY C C 17 174.120 174.120 173.956 0.164 25302 3379 1 18 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.637 -0.036 25302 3380 1 18 . 1 1 17 17 GLY H H 17 8.123 8.123 7.948 0.175 25302 3381 1 18 . 1 1 18 18 ALA N N 18 123.792 123.792 125.619 -1.827 25302 3382 1 18 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.383 -0.233 25302 3383 1 18 . 1 1 18 18 ALA C C 18 176.098 176.098 176.996 -0.898 25302 3384 1 18 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.600 0.740 25302 3385 1 18 . 1 1 18 18 ALA CB C 18 19.226 19.226 18.630 0.596 25302 3386 1 18 . 1 1 18 18 ALA H H 18 7.572 7.572 7.838 -0.266 25302 3387 1 18 . 1 1 19 19 LYS N N 19 119.628 119.628 126.594 -6.966 25302 3388 1 18 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.306 0.746 25302 3389 1 18 . 1 1 19 19 LYS C C 19 176.655 176.655 175.837 0.818 25302 3390 1 18 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.614 -1.109 25302 3391 1 18 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.889 2.926 25302 3392 1 18 . 1 1 19 19 LYS H H 19 7.970 7.970 8.208 -0.238 25302 3393 1 18 . 1 1 20 20 VAL N N 20 116.531 116.531 127.176 -10.645 25302 3394 1 18 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.013 0.604 25302 3395 1 18 . 1 1 20 20 VAL C C 20 174.216 174.216 174.916 -0.700 25302 3396 1 18 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.415 -2.356 25302 3397 1 18 . 1 1 20 20 VAL CB C 20 36.562 36.562 29.882 6.680 25302 3398 1 18 . 1 1 20 20 VAL H H 20 8.757 8.757 8.040 0.717 25302 3399 1 18 . 1 1 21 21 CYS N N 21 119.357 119.357 125.800 -6.443 25302 3400 1 18 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.738 0.114 25302 3401 1 18 . 1 1 21 21 CYS C C 21 172.912 172.912 173.742 -0.830 25302 3402 1 18 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.642 -2.631 25302 3403 1 18 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.936 15.388 25302 3404 1 18 . 1 1 21 21 CYS H H 21 8.386 8.386 7.999 0.387 25302 3405 1 18 . 1 1 22 22 ASN N N 22 121.561 121.561 119.912 1.649 25302 3406 1 18 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.738 -0.225 25302 3407 1 18 . 1 1 22 22 ASN C C 22 174.084 174.084 174.816 -0.732 25302 3408 1 18 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.634 -0.092 25302 3409 1 18 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.012 -1.069 25302 3410 1 18 . 1 1 22 22 ASN H H 22 9.693 9.693 8.575 1.118 25302 3411 1 18 . 1 1 23 23 ASP N N 23 121.712 121.712 119.186 2.526 25302 3412 1 18 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.692 -0.383 25302 3413 1 18 . 1 1 23 23 ASP C C 23 174.448 174.448 175.618 -1.170 25302 3414 1 18 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.538 0.792 25302 3415 1 18 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.148 -0.948 25302 3416 1 18 . 1 1 23 23 ASP H H 23 8.321 8.321 8.569 -0.248 25302 3417 1 18 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.432 -0.067 25302 3418 1 18 . 1 1 24 24 PRO C C 24 174.513 174.513 175.402 -0.889 25302 3419 1 18 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.002 1.623 25302 3420 1 18 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.385 1.482 25302 3421 1 18 . 1 1 25 25 TRP N N 25 125.765 125.765 120.858 4.907 25302 3422 1 18 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.627 0.083 25302 3423 1 18 . 1 1 25 25 TRP C C 25 174.307 174.307 176.604 -2.297 25302 3424 1 18 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.929 -0.196 25302 3425 1 18 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.671 0.380 25302 3426 1 18 . 1 1 25 25 TRP H H 25 8.334 8.334 7.219 1.115 25302 3427 1 18 . 1 1 26 26 VAL N N 26 114.147 114.147 117.508 -3.361 25302 3428 1 18 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.642 -0.271 25302 3429 1 18 . 1 1 26 26 VAL C C 26 174.295 174.295 175.018 -0.723 25302 3430 1 18 . 1 1 26 26 VAL CA C 26 59.163 59.163 59.870 -0.708 25302 3431 1 18 . 1 1 26 26 VAL CB C 26 35.278 35.278 35.194 0.084 25302 3432 1 18 . 1 1 26 26 VAL H H 26 8.952 8.952 8.335 0.617 25302 3433 1 18 . 1 1 27 27 CYS N N 27 122.366 122.366 125.447 -3.081 25302 3434 1 18 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.840 -0.475 25302 3435 1 18 . 1 1 27 27 CYS C C 27 174.268 174.268 175.285 -1.017 25302 3436 1 18 . 1 1 27 27 CYS CA C 27 56.656 56.656 57.511 -0.855 25302 3437 1 18 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.191 13.677 25302 3438 1 18 . 1 1 27 27 CYS H H 27 8.747 8.747 8.858 -0.111 25302 3439 1 18 . 1 1 28 28 ILE N N 28 133.803 133.803 130.648 3.155 25302 3440 1 18 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.226 -0.094 25302 3441 1 18 . 1 1 28 28 ILE C C 28 177.492 177.492 176.430 1.062 25302 3442 1 18 . 1 1 28 28 ILE CA C 28 58.495 58.495 61.165 -2.670 25302 3443 1 18 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.038 -3.521 25302 3444 1 18 . 1 1 28 28 ILE H H 28 8.763 8.763 8.245 0.518 25302 3445 1 18 . 1 1 29 29 LEU N N 29 128.360 128.360 130.456 -2.096 25302 3446 1 18 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.132 -0.265 25302 3447 1 18 . 1 1 29 29 LEU C C 29 179.282 179.282 178.138 1.144 25302 3448 1 18 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.511 0.533 25302 3449 1 18 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.223 0.999 25302 3450 1 18 . 1 1 29 29 LEU H H 29 8.452 8.452 8.944 -0.492 25302 3451 1 18 . 1 1 30 30 THR N N 30 108.140 108.140 114.095 -5.955 25302 3452 1 18 . 1 1 30 30 THR HA H 30 3.929 3.929 4.131 -0.202 25302 3453 1 18 . 1 1 30 30 THR C C 30 175.393 175.393 175.367 0.026 25302 3454 1 18 . 1 1 30 30 THR CA C 30 64.119 64.119 65.096 -0.977 25302 3455 1 18 . 1 1 30 30 THR CB C 30 67.994 67.994 68.893 -0.899 25302 3456 1 18 . 1 1 30 30 THR H H 30 7.589 7.589 8.260 -0.671 25302 3457 1 18 . 1 1 31 31 SER N N 31 112.240 112.240 116.122 -3.882 25302 3458 1 18 . 1 1 31 31 SER HA H 31 4.446 4.446 4.525 -0.079 25302 3459 1 18 . 1 1 31 31 SER C C 31 174.912 174.912 174.734 0.178 25302 3460 1 18 . 1 1 31 31 SER CA C 31 56.859 56.859 58.694 -1.835 25302 3461 1 18 . 1 1 31 31 SER CB C 31 64.760 64.760 63.884 0.876 25302 3462 1 18 . 1 1 31 31 SER H H 31 7.002 7.002 7.752 -0.750 25302 3463 1 18 . 1 1 32 32 SER N N 32 118.529 118.529 115.581 2.948 25302 3464 1 18 . 1 1 32 32 SER HA H 32 3.604 3.604 4.172 -0.568 25302 3465 1 18 . 1 1 32 32 SER C C 32 174.998 174.998 173.218 1.780 25302 3466 1 18 . 1 1 32 32 SER CA C 32 59.523 59.523 59.884 -0.361 25302 3467 1 18 . 1 1 32 32 SER CB C 32 62.111 62.111 61.219 0.892 25302 3468 1 18 . 1 1 32 32 SER H H 32 8.558 8.558 8.191 0.367 25302 3469 1 18 . 1 1 33 33 ARG N N 33 117.830 117.830 114.463 3.367 25302 3470 1 18 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.946 -0.122 25302 3471 1 18 . 1 1 33 33 ARG C C 33 175.115 175.115 175.713 -0.598 25302 3472 1 18 . 1 1 33 33 ARG CA C 33 53.420 53.420 54.089 -0.669 25302 3473 1 18 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.313 1.223 25302 3474 1 18 . 1 1 33 33 ARG H H 33 7.215 7.215 7.466 -0.251 25302 3475 1 18 . 1 1 34 34 CYS N N 34 120.813 120.813 123.540 -2.727 25302 3476 1 18 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.748 0.312 25302 3477 1 18 . 1 1 34 34 CYS C C 34 175.041 175.041 174.769 0.272 25302 3478 1 18 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.452 -5.757 25302 3479 1 18 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.723 16.386 25302 3480 1 18 . 1 1 34 34 CYS H H 34 8.284 8.284 8.933 -0.649 25302 3481 1 18 . 1 1 35 35 GLU N N 35 123.396 123.396 124.091 -0.695 25302 3482 1 18 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.709 0.046 25302 3483 1 18 . 1 1 35 35 GLU C C 35 175.069 175.069 176.059 -0.990 25302 3484 1 18 . 1 1 35 35 GLU CA C 35 54.341 54.341 55.045 -0.704 25302 3485 1 18 . 1 1 35 35 GLU CB C 35 33.163 33.163 32.854 0.309 25302 3486 1 18 . 1 1 35 35 GLU H H 35 9.226 9.226 8.180 1.046 25302 3487 1 18 . 1 1 36 36 ASN N N 36 118.081 118.081 117.813 0.268 25302 3488 1 18 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.131 -0.042 25302 3489 1 18 . 1 1 36 36 ASN C C 36 172.567 172.567 173.870 -1.303 25302 3490 1 18 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.516 -0.062 25302 3491 1 18 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.300 0.098 25302 3492 1 18 . 1 1 36 36 ASN H H 36 8.540 8.540 8.798 -0.258 25302 3493 1 19 . 1 1 2 2 GLY N N 2 109.171 109.171 110.661 -1.490 25302 3494 1 19 . 1 1 2 2 GLY C C 2 173.848 173.848 174.302 -0.454 25302 3495 1 19 . 1 1 2 2 GLY CA C 2 45.179 45.179 46.279 -1.100 25302 3496 1 19 . 1 1 2 2 GLY H H 2 8.599 8.599 8.773 -0.174 25302 3497 1 19 . 1 1 3 3 GLU N N 3 120.814 120.814 118.340 2.474 25302 3498 1 19 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.503 -0.388 25302 3499 1 19 . 1 1 3 3 GLU C C 3 175.221 175.221 175.260 -0.039 25302 3500 1 19 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.488 1.660 25302 3501 1 19 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.335 -2.034 25302 3502 1 19 . 1 1 3 3 GLU H H 3 8.477 8.477 7.895 0.582 25302 3503 1 19 . 1 1 4 4 CYS N N 4 115.823 115.823 117.882 -2.059 25302 3504 1 19 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.078 -0.172 25302 3505 1 19 . 1 1 4 4 CYS C C 4 174.789 174.789 174.220 0.569 25302 3506 1 19 . 1 1 4 4 CYS CA C 4 54.123 54.123 58.158 -4.035 25302 3507 1 19 . 1 1 4 4 CYS CB C 4 46.590 46.590 28.205 18.385 25302 3508 1 19 . 1 1 4 4 CYS H H 4 8.050 8.050 8.647 -0.597 25302 3509 1 19 . 1 1 5 5 GLY N N 5 105.602 105.602 113.192 -7.590 25302 3510 1 19 . 1 1 5 5 GLY C C 5 173.331 173.331 173.162 0.169 25302 3511 1 19 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.517 2.172 25302 3512 1 19 . 1 1 5 5 GLY H H 5 8.272 8.272 8.614 -0.342 25302 3513 1 19 . 1 1 6 6 ASP N N 6 119.525 119.525 120.014 -0.489 25302 3514 1 19 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.853 0.323 25302 3515 1 19 . 1 1 6 6 ASP C C 6 174.303 174.303 175.857 -1.554 25302 3516 1 19 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.793 -0.969 25302 3517 1 19 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.645 -1.192 25302 3518 1 19 . 1 1 6 6 ASP H H 6 7.399 7.399 7.947 -0.548 25302 3519 1 19 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.889 -1.499 25302 3520 1 19 . 1 1 7 7 LYS C C 7 176.491 176.491 176.052 0.439 25302 3521 1 19 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.390 0.518 25302 3522 1 19 . 1 1 7 7 LYS CB C 7 31.315 31.315 30.948 0.367 25302 3523 1 19 . 1 1 8 8 ASP N N 8 118.123 118.123 120.290 -2.167 25302 3524 1 19 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.179 -0.206 25302 3525 1 19 . 1 1 8 8 ASP C C 8 174.603 174.603 174.756 -0.153 25302 3526 1 19 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.896 0.704 25302 3527 1 19 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.414 -0.289 25302 3528 1 19 . 1 1 8 8 ASP H H 8 8.763 8.763 8.909 -0.146 25302 3529 1 19 . 1 1 9 9 GLU N N 9 119.080 119.080 118.801 0.279 25302 3530 1 19 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.733 -0.266 25302 3531 1 19 . 1 1 9 9 GLU C C 9 172.723 172.723 174.433 -1.710 25302 3532 1 19 . 1 1 9 9 GLU CA C 9 53.456 53.456 53.013 0.443 25302 3533 1 19 . 1 1 9 9 GLU CB C 9 27.509 27.509 30.545 -3.036 25302 3534 1 19 . 1 1 9 9 GLU H H 9 7.842 7.842 7.619 0.223 25302 3535 1 19 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.531 0.357 25302 3536 1 19 . 1 1 10 10 PRO C C 10 175.963 175.963 176.333 -0.370 25302 3537 1 19 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.864 -0.740 25302 3538 1 19 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.878 0.493 25302 3539 1 19 . 1 1 11 11 CYS N N 11 117.256 117.256 119.375 -2.119 25302 3540 1 19 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.925 -0.531 25302 3541 1 19 . 1 1 11 11 CYS C C 11 175.560 175.560 176.515 -0.955 25302 3542 1 19 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.535 -1.093 25302 3543 1 19 . 1 1 11 11 CYS CB C 11 40.671 40.671 26.860 13.811 25302 3544 1 19 . 1 1 11 11 CYS H H 11 7.440 7.440 7.965 -0.525 25302 3545 1 19 . 1 1 12 12 CYS N N 12 122.475 122.475 123.933 -1.458 25302 3546 1 19 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.594 0.034 25302 3547 1 19 . 1 1 12 12 CYS C C 12 174.330 174.330 175.365 -1.035 25302 3548 1 19 . 1 1 12 12 CYS CA C 12 53.235 53.235 56.963 -3.728 25302 3549 1 19 . 1 1 12 12 CYS CB C 12 40.251 40.251 25.336 14.915 25302 3550 1 19 . 1 1 12 12 CYS H H 12 9.249 9.249 8.937 0.312 25302 3551 1 19 . 1 1 13 13 GLY N N 13 110.237 110.237 112.783 -2.546 25302 3552 1 19 . 1 1 13 13 GLY C C 13 173.730 173.730 173.900 -0.170 25302 3553 1 19 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.754 0.021 25302 3554 1 19 . 1 1 13 13 GLY H H 13 8.676 8.676 8.056 0.620 25302 3555 1 19 . 1 1 14 14 ARG N N 14 123.065 123.065 126.178 -3.113 25302 3556 1 19 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.407 0.262 25302 3557 1 19 . 1 1 14 14 ARG C C 14 176.773 176.773 176.840 -0.067 25302 3558 1 19 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.588 -0.947 25302 3559 1 19 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.845 1.886 25302 3560 1 19 . 1 1 14 14 ARG H H 14 8.255 8.255 8.105 0.150 25302 3561 1 19 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.276 -0.053 25302 3562 1 19 . 1 1 15 15 PRO C C 15 176.628 176.628 176.655 -0.027 25302 3563 1 19 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.840 0.402 25302 3564 1 19 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.441 0.285 25302 3565 1 19 . 1 1 16 16 ASP N N 16 113.958 113.958 116.632 -2.674 25302 3566 1 19 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.485 -0.111 25302 3567 1 19 . 1 1 16 16 ASP C C 16 176.667 176.667 177.037 -0.370 25302 3568 1 19 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.215 -0.859 25302 3569 1 19 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.536 -0.978 25302 3570 1 19 . 1 1 16 16 ASP H H 16 7.732 7.732 8.012 -0.280 25302 3571 1 19 . 1 1 17 17 GLY N N 17 108.298 108.298 108.493 -0.195 25302 3572 1 19 . 1 1 17 17 GLY C C 17 174.120 174.120 173.634 0.486 25302 3573 1 19 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.742 -0.141 25302 3574 1 19 . 1 1 17 17 GLY H H 17 8.123 8.123 8.089 0.034 25302 3575 1 19 . 1 1 18 18 ALA N N 18 123.792 123.792 124.544 -0.752 25302 3576 1 19 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.331 -0.181 25302 3577 1 19 . 1 1 18 18 ALA C C 18 176.098 176.098 177.074 -0.976 25302 3578 1 19 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.710 0.630 25302 3579 1 19 . 1 1 18 18 ALA CB C 18 19.226 19.226 18.553 0.673 25302 3580 1 19 . 1 1 18 18 ALA H H 18 7.572 7.572 7.721 -0.149 25302 3581 1 19 . 1 1 19 19 LYS N N 19 119.628 119.628 126.348 -6.720 25302 3582 1 19 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.243 0.808 25302 3583 1 19 . 1 1 19 19 LYS C C 19 176.655 176.655 175.510 1.145 25302 3584 1 19 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.968 -1.463 25302 3585 1 19 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.338 3.477 25302 3586 1 19 . 1 1 19 19 LYS H H 19 7.970 7.970 8.336 -0.366 25302 3587 1 19 . 1 1 20 20 VAL N N 20 116.531 116.531 126.885 -10.354 25302 3588 1 19 . 1 1 20 20 VAL HA H 20 4.617 4.617 3.981 0.636 25302 3589 1 19 . 1 1 20 20 VAL C C 20 174.216 174.216 174.890 -0.674 25302 3590 1 19 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.850 -2.791 25302 3591 1 19 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.610 4.952 25302 3592 1 19 . 1 1 20 20 VAL H H 20 8.757 8.757 7.923 0.834 25302 3593 1 19 . 1 1 21 21 CYS N N 21 119.357 119.357 125.502 -6.145 25302 3594 1 19 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.788 0.064 25302 3595 1 19 . 1 1 21 21 CYS C C 21 172.912 172.912 173.766 -0.854 25302 3596 1 19 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.924 -2.913 25302 3597 1 19 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.713 15.611 25302 3598 1 19 . 1 1 21 21 CYS H H 21 8.386 8.386 8.431 -0.045 25302 3599 1 19 . 1 1 22 22 ASN N N 22 121.561 121.561 122.253 -0.692 25302 3600 1 19 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.765 -0.252 25302 3601 1 19 . 1 1 22 22 ASN C C 22 174.084 174.084 174.894 -0.810 25302 3602 1 19 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.847 -0.305 25302 3603 1 19 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.272 -1.329 25302 3604 1 19 . 1 1 22 22 ASN H H 22 9.693 9.693 8.845 0.848 25302 3605 1 19 . 1 1 23 23 ASP N N 23 121.712 121.712 123.008 -1.296 25302 3606 1 19 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.637 -0.328 25302 3607 1 19 . 1 1 23 23 ASP C C 23 174.448 174.448 175.400 -0.952 25302 3608 1 19 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.901 0.429 25302 3609 1 19 . 1 1 23 23 ASP CB C 23 40.200 40.200 40.536 -0.336 25302 3610 1 19 . 1 1 23 23 ASP H H 23 8.321 8.321 8.622 -0.301 25302 3611 1 19 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.462 -0.097 25302 3612 1 19 . 1 1 24 24 PRO C C 24 174.513 174.513 175.539 -1.026 25302 3613 1 19 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.460 1.165 25302 3614 1 19 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.574 1.293 25302 3615 1 19 . 1 1 25 25 TRP N N 25 125.765 125.765 121.039 4.726 25302 3616 1 19 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.658 0.052 25302 3617 1 19 . 1 1 25 25 TRP C C 25 174.307 174.307 176.094 -1.787 25302 3618 1 19 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.572 0.161 25302 3619 1 19 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.218 0.833 25302 3620 1 19 . 1 1 25 25 TRP H H 25 8.334 8.334 6.996 1.338 25302 3621 1 19 . 1 1 26 26 VAL N N 26 114.147 114.147 123.727 -9.580 25302 3622 1 19 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.325 0.046 25302 3623 1 19 . 1 1 26 26 VAL C C 26 174.295 174.295 175.964 -1.669 25302 3624 1 19 . 1 1 26 26 VAL CA C 26 59.163 59.163 60.903 -1.740 25302 3625 1 19 . 1 1 26 26 VAL CB C 26 35.278 35.278 33.784 1.494 25302 3626 1 19 . 1 1 26 26 VAL H H 26 8.952 8.952 8.748 0.204 25302 3627 1 19 . 1 1 27 27 CYS N N 27 122.366 122.366 128.930 -6.564 25302 3628 1 19 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.689 -0.324 25302 3629 1 19 . 1 1 27 27 CYS C C 27 174.268 174.268 175.068 -0.800 25302 3630 1 19 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.626 -1.970 25302 3631 1 19 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.341 13.526 25302 3632 1 19 . 1 1 27 27 CYS H H 27 8.747 8.747 9.036 -0.289 25302 3633 1 19 . 1 1 28 28 ILE N N 28 133.803 133.803 130.272 3.531 25302 3634 1 19 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.242 -0.110 25302 3635 1 19 . 1 1 28 28 ILE C C 28 177.492 177.492 176.706 0.786 25302 3636 1 19 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.705 -2.210 25302 3637 1 19 . 1 1 28 28 ILE CB C 28 34.518 34.518 37.588 -3.070 25302 3638 1 19 . 1 1 28 28 ILE H H 28 8.763 8.763 8.334 0.429 25302 3639 1 19 . 1 1 29 29 LEU N N 29 128.360 128.360 129.395 -1.035 25302 3640 1 19 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.177 -0.310 25302 3641 1 19 . 1 1 29 29 LEU C C 29 179.282 179.282 178.358 0.924 25302 3642 1 19 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.507 0.537 25302 3643 1 19 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.424 0.798 25302 3644 1 19 . 1 1 29 29 LEU H H 29 8.452 8.452 8.756 -0.304 25302 3645 1 19 . 1 1 30 30 THR N N 30 108.140 108.140 114.841 -6.701 25302 3646 1 19 . 1 1 30 30 THR HA H 30 3.929 3.929 4.119 -0.190 25302 3647 1 19 . 1 1 30 30 THR C C 30 175.393 175.393 175.567 -0.174 25302 3648 1 19 . 1 1 30 30 THR CA C 30 64.119 64.119 64.812 -0.693 25302 3649 1 19 . 1 1 30 30 THR CB C 30 67.994 67.994 68.742 -0.748 25302 3650 1 19 . 1 1 30 30 THR H H 30 7.589 7.589 8.279 -0.690 25302 3651 1 19 . 1 1 31 31 SER N N 31 112.240 112.240 115.528 -3.288 25302 3652 1 19 . 1 1 31 31 SER HA H 31 4.446 4.446 4.565 -0.119 25302 3653 1 19 . 1 1 31 31 SER C C 31 174.912 174.912 174.706 0.206 25302 3654 1 19 . 1 1 31 31 SER CA C 31 56.859 56.859 58.636 -1.777 25302 3655 1 19 . 1 1 31 31 SER CB C 31 64.760 64.760 63.744 1.016 25302 3656 1 19 . 1 1 31 31 SER H H 31 7.002 7.002 7.692 -0.690 25302 3657 1 19 . 1 1 32 32 SER N N 32 118.529 118.529 115.913 2.616 25302 3658 1 19 . 1 1 32 32 SER HA H 32 3.604 3.604 4.074 -0.470 25302 3659 1 19 . 1 1 32 32 SER C C 32 174.998 174.998 173.336 1.662 25302 3660 1 19 . 1 1 32 32 SER CA C 32 59.523 59.523 59.944 -0.421 25302 3661 1 19 . 1 1 32 32 SER CB C 32 62.111 62.111 61.227 0.884 25302 3662 1 19 . 1 1 32 32 SER H H 32 8.558 8.558 8.231 0.327 25302 3663 1 19 . 1 1 33 33 ARG N N 33 117.830 117.830 114.271 3.559 25302 3664 1 19 . 1 1 33 33 ARG HA H 33 4.824 4.824 5.010 -0.186 25302 3665 1 19 . 1 1 33 33 ARG C C 33 175.115 175.115 175.024 0.091 25302 3666 1 19 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.903 -0.483 25302 3667 1 19 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.508 1.028 25302 3668 1 19 . 1 1 33 33 ARG H H 33 7.215 7.215 7.484 -0.269 25302 3669 1 19 . 1 1 34 34 CYS N N 34 120.813 120.813 121.832 -1.019 25302 3670 1 19 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.616 0.444 25302 3671 1 19 . 1 1 34 34 CYS C C 34 175.041 175.041 174.168 0.873 25302 3672 1 19 . 1 1 34 34 CYS CA C 34 53.695 53.695 60.072 -6.377 25302 3673 1 19 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.155 15.954 25302 3674 1 19 . 1 1 34 34 CYS H H 34 8.284 8.284 8.564 -0.280 25302 3675 1 19 . 1 1 35 35 GLU N N 35 123.396 123.396 123.980 -0.584 25302 3676 1 19 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.446 0.309 25302 3677 1 19 . 1 1 35 35 GLU C C 35 175.069 175.069 174.092 0.977 25302 3678 1 19 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.812 -0.471 25302 3679 1 19 . 1 1 35 35 GLU CB C 35 33.163 33.163 32.088 1.075 25302 3680 1 19 . 1 1 35 35 GLU H H 35 9.226 9.226 8.641 0.585 25302 3681 1 19 . 1 1 36 36 ASN N N 36 118.081 118.081 118.248 -0.167 25302 3682 1 19 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.004 0.085 25302 3683 1 19 . 1 1 36 36 ASN C C 36 172.567 172.567 174.559 -1.992 25302 3684 1 19 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.373 0.081 25302 3685 1 19 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.432 -0.034 25302 3686 1 19 . 1 1 36 36 ASN H H 36 8.540 8.540 8.779 -0.239 25302 3687 1 20 . 1 1 2 2 GLY N N 2 109.171 109.171 108.341 0.830 25302 3688 1 20 . 1 1 2 2 GLY C C 2 173.848 173.848 173.534 0.314 25302 3689 1 20 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.431 -0.252 25302 3690 1 20 . 1 1 2 2 GLY H H 2 8.599 8.599 8.791 -0.192 25302 3691 1 20 . 1 1 3 3 GLU N N 3 120.814 120.814 118.623 2.191 25302 3692 1 20 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.717 -0.602 25302 3693 1 20 . 1 1 3 3 GLU C C 3 175.221 175.221 174.806 0.415 25302 3694 1 20 . 1 1 3 3 GLU CA C 3 57.148 57.148 54.608 2.540 25302 3695 1 20 . 1 1 3 3 GLU CB C 3 29.301 29.301 32.309 -3.008 25302 3696 1 20 . 1 1 3 3 GLU H H 3 8.477 8.477 7.853 0.625 25302 3697 1 20 . 1 1 4 4 CYS N N 4 115.823 115.823 115.033 0.790 25302 3698 1 20 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.201 -0.295 25302 3699 1 20 . 1 1 4 4 CYS C C 4 174.789 174.789 174.429 0.360 25302 3700 1 20 . 1 1 4 4 CYS CA C 4 54.123 54.123 58.037 -3.914 25302 3701 1 20 . 1 1 4 4 CYS CB C 4 46.590 46.590 30.039 16.551 25302 3702 1 20 . 1 1 4 4 CYS H H 4 8.050 8.050 8.564 -0.514 25302 3703 1 20 . 1 1 5 5 GLY N N 5 105.602 105.602 110.603 -5.001 25302 3704 1 20 . 1 1 5 5 GLY C C 5 173.331 173.331 173.554 -0.223 25302 3705 1 20 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.387 2.302 25302 3706 1 20 . 1 1 5 5 GLY H H 5 8.272 8.272 8.657 -0.385 25302 3707 1 20 . 1 1 6 6 ASP N N 6 119.525 119.525 120.468 -0.943 25302 3708 1 20 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.927 0.249 25302 3709 1 20 . 1 1 6 6 ASP C C 6 174.303 174.303 175.810 -1.507 25302 3710 1 20 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.845 -1.021 25302 3711 1 20 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.340 -0.887 25302 3712 1 20 . 1 1 6 6 ASP H H 6 7.399 7.399 8.011 -0.612 25302 3713 1 20 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.798 -1.408 25302 3714 1 20 . 1 1 7 7 LYS C C 7 176.491 176.491 176.332 0.159 25302 3715 1 20 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.093 0.815 25302 3716 1 20 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.169 0.146 25302 3717 1 20 . 1 1 8 8 ASP N N 8 118.123 118.123 120.810 -2.687 25302 3718 1 20 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.153 -0.180 25302 3719 1 20 . 1 1 8 8 ASP C C 8 174.603 174.603 174.746 -0.143 25302 3720 1 20 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.934 0.666 25302 3721 1 20 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.678 -0.552 25302 3722 1 20 . 1 1 8 8 ASP H H 8 8.763 8.763 8.524 0.239 25302 3723 1 20 . 1 1 9 9 GLU N N 9 119.080 119.080 117.458 1.622 25302 3724 1 20 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.778 -0.311 25302 3725 1 20 . 1 1 9 9 GLU C C 9 172.723 172.723 174.051 -1.328 25302 3726 1 20 . 1 1 9 9 GLU CA C 9 53.456 53.456 53.378 0.078 25302 3727 1 20 . 1 1 9 9 GLU CB C 9 27.509 27.509 32.004 -4.495 25302 3728 1 20 . 1 1 9 9 GLU H H 9 7.842 7.842 7.666 0.176 25302 3729 1 20 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.611 0.277 25302 3730 1 20 . 1 1 10 10 PRO C C 10 175.963 175.963 176.930 -0.967 25302 3731 1 20 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.789 -0.665 25302 3732 1 20 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.962 0.409 25302 3733 1 20 . 1 1 11 11 CYS N N 11 117.256 117.256 118.754 -1.498 25302 3734 1 20 . 1 1 11 11 CYS HA H 11 4.394 4.394 5.012 -0.618 25302 3735 1 20 . 1 1 11 11 CYS C C 11 175.560 175.560 175.974 -0.414 25302 3736 1 20 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.401 -0.959 25302 3737 1 20 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.193 13.478 25302 3738 1 20 . 1 1 11 11 CYS H H 11 7.440 7.440 8.127 -0.687 25302 3739 1 20 . 1 1 12 12 CYS N N 12 122.475 122.475 123.068 -0.593 25302 3740 1 20 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.625 0.003 25302 3741 1 20 . 1 1 12 12 CYS C C 12 174.330 174.330 175.330 -1.000 25302 3742 1 20 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.367 -4.132 25302 3743 1 20 . 1 1 12 12 CYS CB C 12 40.251 40.251 26.933 13.318 25302 3744 1 20 . 1 1 12 12 CYS H H 12 9.249 9.249 8.451 0.798 25302 3745 1 20 . 1 1 13 13 GLY N N 13 110.237 110.237 112.399 -2.162 25302 3746 1 20 . 1 1 13 13 GLY C C 13 173.730 173.730 174.152 -0.422 25302 3747 1 20 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.747 0.028 25302 3748 1 20 . 1 1 13 13 GLY H H 13 8.676 8.676 8.467 0.209 25302 3749 1 20 . 1 1 14 14 ARG N N 14 123.065 123.065 125.683 -2.618 25302 3750 1 20 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.445 0.224 25302 3751 1 20 . 1 1 14 14 ARG C C 14 176.773 176.773 176.870 -0.097 25302 3752 1 20 . 1 1 14 14 ARG CA C 14 53.641 53.641 53.716 -0.075 25302 3753 1 20 . 1 1 14 14 ARG CB C 14 31.731 31.731 28.973 2.758 25302 3754 1 20 . 1 1 14 14 ARG H H 14 8.255 8.255 8.226 0.029 25302 3755 1 20 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.226 -0.003 25302 3756 1 20 . 1 1 15 15 PRO C C 15 176.628 176.628 177.127 -0.499 25302 3757 1 20 . 1 1 15 15 PRO CA C 15 65.242 65.242 65.168 0.074 25302 3758 1 20 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.765 -0.039 25302 3759 1 20 . 1 1 16 16 ASP N N 16 113.958 113.958 114.953 -0.995 25302 3760 1 20 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.455 -0.081 25302 3761 1 20 . 1 1 16 16 ASP C C 16 176.667 176.667 177.218 -0.551 25302 3762 1 20 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.440 -1.084 25302 3763 1 20 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.693 -1.135 25302 3764 1 20 . 1 1 16 16 ASP H H 16 7.732 7.732 8.473 -0.741 25302 3765 1 20 . 1 1 17 17 GLY N N 17 108.298 108.298 107.477 0.821 25302 3766 1 20 . 1 1 17 17 GLY C C 17 174.120 174.120 173.620 0.500 25302 3767 1 20 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.598 0.003 25302 3768 1 20 . 1 1 17 17 GLY H H 17 8.123 8.123 7.848 0.275 25302 3769 1 20 . 1 1 18 18 ALA N N 18 123.792 123.792 124.579 -0.787 25302 3770 1 20 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.336 -0.186 25302 3771 1 20 . 1 1 18 18 ALA C C 18 176.098 176.098 177.123 -1.025 25302 3772 1 20 . 1 1 18 18 ALA CA C 18 52.340 52.340 52.008 0.332 25302 3773 1 20 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.133 0.093 25302 3774 1 20 . 1 1 18 18 ALA H H 18 7.572 7.572 7.746 -0.174 25302 3775 1 20 . 1 1 19 19 LYS N N 19 119.628 119.628 125.852 -6.224 25302 3776 1 20 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.266 0.785 25302 3777 1 20 . 1 1 19 19 LYS C C 19 176.655 176.655 175.994 0.661 25302 3778 1 20 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.269 -0.764 25302 3779 1 20 . 1 1 19 19 LYS CB C 19 35.815 35.815 31.356 4.459 25302 3780 1 20 . 1 1 19 19 LYS H H 19 7.970 7.970 8.585 -0.615 25302 3781 1 20 . 1 1 20 20 VAL N N 20 116.531 116.531 126.470 -9.939 25302 3782 1 20 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.022 0.595 25302 3783 1 20 . 1 1 20 20 VAL C C 20 174.216 174.216 174.748 -0.532 25302 3784 1 20 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.872 -2.813 25302 3785 1 20 . 1 1 20 20 VAL CB C 20 36.562 36.562 32.077 4.485 25302 3786 1 20 . 1 1 20 20 VAL H H 20 8.757 8.757 8.261 0.496 25302 3787 1 20 . 1 1 21 21 CYS N N 21 119.357 119.357 124.635 -5.278 25302 3788 1 20 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.820 0.032 25302 3789 1 20 . 1 1 21 21 CYS C C 21 172.912 172.912 173.591 -0.679 25302 3790 1 20 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.632 -2.621 25302 3791 1 20 . 1 1 21 21 CYS CB C 21 46.324 46.324 31.174 15.150 25302 3792 1 20 . 1 1 21 21 CYS H H 21 8.386 8.386 8.626 -0.240 25302 3793 1 20 . 1 1 22 22 ASN N N 22 121.561 121.561 120.723 0.838 25302 3794 1 20 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.848 -0.335 25302 3795 1 20 . 1 1 22 22 ASN C C 22 174.084 174.084 174.471 -0.387 25302 3796 1 20 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.469 0.073 25302 3797 1 20 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.756 -1.813 25302 3798 1 20 . 1 1 22 22 ASN H H 22 9.693 9.693 8.647 1.046 25302 3799 1 20 . 1 1 23 23 ASP N N 23 121.712 121.712 119.403 2.309 25302 3800 1 20 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.555 -0.246 25302 3801 1 20 . 1 1 23 23 ASP C C 23 174.448 174.448 175.299 -0.851 25302 3802 1 20 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.490 0.840 25302 3803 1 20 . 1 1 23 23 ASP CB C 23 40.200 40.200 40.988 -0.788 25302 3804 1 20 . 1 1 23 23 ASP H H 23 8.321 8.321 8.512 -0.191 25302 3805 1 20 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.393 -0.028 25302 3806 1 20 . 1 1 24 24 PRO C C 24 174.513 174.513 175.778 -1.265 25302 3807 1 20 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.335 1.290 25302 3808 1 20 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.662 1.205 25302 3809 1 20 . 1 1 25 25 TRP N N 25 125.765 125.765 120.293 5.472 25302 3810 1 20 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.647 0.063 25302 3811 1 20 . 1 1 25 25 TRP C C 25 174.307 174.307 176.241 -1.934 25302 3812 1 20 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.678 0.055 25302 3813 1 20 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.936 0.115 25302 3814 1 20 . 1 1 25 25 TRP H H 25 8.334 8.334 7.083 1.251 25302 3815 1 20 . 1 1 26 26 VAL N N 26 114.147 114.147 123.480 -9.333 25302 3816 1 20 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.424 -0.053 25302 3817 1 20 . 1 1 26 26 VAL C C 26 174.295 174.295 175.515 -1.220 25302 3818 1 20 . 1 1 26 26 VAL CA C 26 59.163 59.163 61.092 -1.929 25302 3819 1 20 . 1 1 26 26 VAL CB C 26 35.278 35.278 34.750 0.528 25302 3820 1 20 . 1 1 26 26 VAL H H 26 8.952 8.952 8.740 0.212 25302 3821 1 20 . 1 1 27 27 CYS N N 27 122.366 122.366 127.797 -5.431 25302 3822 1 20 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.668 -0.303 25302 3823 1 20 . 1 1 27 27 CYS C C 27 174.268 174.268 175.306 -1.038 25302 3824 1 20 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.828 -2.172 25302 3825 1 20 . 1 1 27 27 CYS CB C 27 39.867 39.867 25.994 13.873 25302 3826 1 20 . 1 1 27 27 CYS H H 27 8.747 8.747 8.861 -0.114 25302 3827 1 20 . 1 1 28 28 ILE N N 28 133.803 133.803 131.070 2.733 25302 3828 1 20 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.145 -0.013 25302 3829 1 20 . 1 1 28 28 ILE C C 28 177.492 177.492 176.647 0.845 25302 3830 1 20 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.127 -1.632 25302 3831 1 20 . 1 1 28 28 ILE CB C 28 34.518 34.518 36.792 -2.274 25302 3832 1 20 . 1 1 28 28 ILE H H 28 8.763 8.763 8.680 0.083 25302 3833 1 20 . 1 1 29 29 LEU N N 29 128.360 128.360 129.828 -1.468 25302 3834 1 20 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.152 -0.285 25302 3835 1 20 . 1 1 29 29 LEU C C 29 179.282 179.282 178.550 0.732 25302 3836 1 20 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.636 0.408 25302 3837 1 20 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.236 0.987 25302 3838 1 20 . 1 1 29 29 LEU H H 29 8.452 8.452 8.905 -0.453 25302 3839 1 20 . 1 1 30 30 THR N N 30 108.140 108.140 114.926 -6.786 25302 3840 1 20 . 1 1 30 30 THR HA H 30 3.929 3.929 4.123 -0.194 25302 3841 1 20 . 1 1 30 30 THR C C 30 175.393 175.393 175.557 -0.164 25302 3842 1 20 . 1 1 30 30 THR CA C 30 64.119 64.119 64.665 -0.546 25302 3843 1 20 . 1 1 30 30 THR CB C 30 67.994 67.994 68.850 -0.856 25302 3844 1 20 . 1 1 30 30 THR H H 30 7.589 7.589 8.220 -0.631 25302 3845 1 20 . 1 1 31 31 SER N N 31 112.240 112.240 115.167 -2.927 25302 3846 1 20 . 1 1 31 31 SER HA H 31 4.446 4.446 4.528 -0.082 25302 3847 1 20 . 1 1 31 31 SER C C 31 174.912 174.912 174.680 0.232 25302 3848 1 20 . 1 1 31 31 SER CA C 31 56.859 56.859 58.261 -1.402 25302 3849 1 20 . 1 1 31 31 SER CB C 31 64.760 64.760 63.783 0.977 25302 3850 1 20 . 1 1 31 31 SER H H 31 7.002 7.002 7.803 -0.801 25302 3851 1 20 . 1 1 32 32 SER N N 32 118.529 118.529 115.766 2.763 25302 3852 1 20 . 1 1 32 32 SER HA H 32 3.604 3.604 4.191 -0.587 25302 3853 1 20 . 1 1 32 32 SER C C 32 174.998 174.998 173.221 1.777 25302 3854 1 20 . 1 1 32 32 SER CA C 32 59.523 59.523 60.076 -0.553 25302 3855 1 20 . 1 1 32 32 SER CB C 32 62.111 62.111 61.757 0.354 25302 3856 1 20 . 1 1 32 32 SER H H 32 8.558 8.558 8.159 0.399 25302 3857 1 20 . 1 1 33 33 ARG N N 33 117.830 117.830 114.446 3.384 25302 3858 1 20 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.881 -0.057 25302 3859 1 20 . 1 1 33 33 ARG C C 33 175.115 175.115 175.144 -0.029 25302 3860 1 20 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.687 -0.267 25302 3861 1 20 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.344 1.192 25302 3862 1 20 . 1 1 33 33 ARG H H 33 7.215 7.215 7.432 -0.217 25302 3863 1 20 . 1 1 34 34 CYS N N 34 120.813 120.813 122.763 -1.950 25302 3864 1 20 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.644 0.416 25302 3865 1 20 . 1 1 34 34 CYS C C 34 175.041 175.041 174.323 0.718 25302 3866 1 20 . 1 1 34 34 CYS CA C 34 53.695 53.695 60.412 -6.717 25302 3867 1 20 . 1 1 34 34 CYS CB C 34 41.109 41.109 24.586 16.523 25302 3868 1 20 . 1 1 34 34 CYS H H 34 8.284 8.284 8.816 -0.532 25302 3869 1 20 . 1 1 35 35 GLU N N 35 123.396 123.396 125.203 -1.807 25302 3870 1 20 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.494 0.261 25302 3871 1 20 . 1 1 35 35 GLU C C 35 175.069 175.069 175.112 -0.043 25302 3872 1 20 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.803 -0.462 25302 3873 1 20 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.545 -0.382 25302 3874 1 20 . 1 1 35 35 GLU H H 35 9.226 9.226 8.117 1.109 25302 3875 1 20 . 1 1 36 36 ASN N N 36 118.081 118.081 117.889 0.192 25302 3876 1 20 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.028 0.061 25302 3877 1 20 . 1 1 36 36 ASN C C 36 172.567 172.567 174.142 -1.575 25302 3878 1 20 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.291 0.163 25302 3879 1 20 . 1 1 36 36 ASN CB C 36 38.398 38.398 37.985 0.413 25302 3880 1 20 . 1 1 36 36 ASN H H 36 8.540 8.540 8.676 -0.136 25302 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 31 4.070 1.498 3.847 25302 2 1 1 "Average Difference" HA 39 0.380 0.047 0.382 25302 3 1 1 "Average Difference" C 35 0.941 0.442 0.843 25302 4 1 1 "Average Difference" CA 35 1.775 0.675 1.666 25302 5 1 1 "Average Difference" CB 31 6.798 -2.943 6.230 25302 6 1 1 "Average Difference" HN 31 0.501 -0.016 0.509 25302 7 1 2 "Average Difference" N 31 3.954 1.534 3.704 25302 8 1 2 "Average Difference" HA 39 0.421 0.046 0.423 25302 9 1 2 "Average Difference" C 35 0.919 0.402 0.838 25302 10 1 2 "Average Difference" CA 35 1.716 0.635 1.618 25302 11 1 2 "Average Difference" CB 31 6.773 -2.905 6.220 25302 12 1 2 "Average Difference" HN 31 0.486 -0.026 0.494 25302 13 1 3 "Average Difference" N 31 3.281 1.110 3.138 25302 14 1 3 "Average Difference" HA 39 0.401 0.082 0.397 25302 15 1 3 "Average Difference" C 35 0.817 0.289 0.775 25302 16 1 3 "Average Difference" CA 35 1.852 0.649 1.760 25302 17 1 3 "Average Difference" CB 31 6.633 -2.743 6.139 25302 18 1 3 "Average Difference" HN 31 0.403 -0.027 0.409 25302 19 1 4 "Average Difference" N 31 3.456 1.289 3.260 25302 20 1 4 "Average Difference" HA 39 0.382 0.051 0.384 25302 21 1 4 "Average Difference" C 35 0.925 0.360 0.864 25302 22 1 4 "Average Difference" CA 35 1.860 0.691 1.752 25302 23 1 4 "Average Difference" CB 31 6.835 -2.843 6.318 25302 24 1 4 "Average Difference" HN 31 0.543 -0.025 0.551 25302 25 1 5 "Average Difference" N 31 3.830 1.380 3.632 25302 26 1 5 "Average Difference" HA 39 0.367 0.047 0.368 25302 27 1 5 "Average Difference" C 35 0.863 0.287 0.826 25302 28 1 5 "Average Difference" CA 35 1.905 0.651 1.817 25302 29 1 5 "Average Difference" CB 31 6.821 -2.872 6.289 25302 30 1 5 "Average Difference" HN 31 0.474 0.002 0.481 25302 31 1 6 "Average Difference" N 31 4.097 1.740 3.770 25302 32 1 6 "Average Difference" HA 39 0.445 0.056 0.448 25302 33 1 6 "Average Difference" C 35 0.983 0.451 0.887 25302 34 1 6 "Average Difference" CA 35 1.830 0.762 1.688 25302 35 1 6 "Average Difference" CB 31 6.856 -3.003 6.265 25302 36 1 6 "Average Difference" HN 31 0.525 -0.049 0.531 25302 37 1 7 "Average Difference" N 31 3.411 0.867 3.354 25302 38 1 7 "Average Difference" HA 39 0.437 0.116 0.427 25302 39 1 7 "Average Difference" C 35 0.873 0.174 0.868 25302 40 1 7 "Average Difference" CA 35 1.780 0.575 1.709 25302 41 1 7 "Average Difference" CB 31 6.661 -2.602 6.233 25302 42 1 7 "Average Difference" HN 31 0.455 -0.027 0.461 25302 43 1 8 "Average Difference" N 31 3.725 1.026 3.640 25302 44 1 8 "Average Difference" HA 39 0.395 0.061 0.395 25302 45 1 8 "Average Difference" C 35 0.801 0.264 0.768 25302 46 1 8 "Average Difference" CA 35 1.810 0.629 1.721 25302 47 1 8 "Average Difference" CB 31 6.785 -2.756 6.303 25302 48 1 8 "Average Difference" HN 31 0.517 -0.048 0.524 25302 49 1 9 "Average Difference" N 31 4.093 1.596 3.832 25302 50 1 9 "Average Difference" HA 39 0.360 0.026 0.364 25302 51 1 9 "Average Difference" C 35 0.943 0.326 0.898 25302 52 1 9 "Average Difference" CA 35 1.827 0.669 1.724 25302 53 1 9 "Average Difference" CB 31 6.691 -2.879 6.139 25302 54 1 9 "Average Difference" HN 31 0.496 0.029 0.504 25302 55 1 10 "Average Difference" N 31 3.433 1.225 3.260 25302 56 1 10 "Average Difference" HA 39 0.397 0.040 0.400 25302 57 1 10 "Average Difference" C 35 1.004 0.246 0.988 25302 58 1 10 "Average Difference" CA 35 1.760 0.675 1.649 25302 59 1 10 "Average Difference" CB 31 6.731 -2.835 6.206 25302 60 1 10 "Average Difference" HN 31 0.470 -0.036 0.476 25302 61 1 11 "Average Difference" N 31 3.579 1.394 3.351 25302 62 1 11 "Average Difference" HA 39 0.421 0.088 0.418 25302 63 1 11 "Average Difference" C 35 0.881 0.365 0.814 25302 64 1 11 "Average Difference" CA 35 1.713 0.638 1.613 25302 65 1 11 "Average Difference" CB 31 6.722 -2.879 6.175 25302 66 1 11 "Average Difference" HN 31 0.475 0.018 0.482 25302 67 1 12 "Average Difference" N 31 3.371 1.117 3.233 25302 68 1 12 "Average Difference" HA 39 0.397 0.067 0.396 25302 69 1 12 "Average Difference" C 35 0.870 0.338 0.814 25302 70 1 12 "Average Difference" CA 35 1.774 0.640 1.679 25302 71 1 12 "Average Difference" CB 31 6.690 -2.838 6.159 25302 72 1 12 "Average Difference" HN 31 0.475 -0.030 0.482 25302 73 1 13 "Average Difference" N 31 3.461 1.047 3.353 25302 74 1 13 "Average Difference" HA 39 0.367 0.034 0.371 25302 75 1 13 "Average Difference" C 35 0.947 0.390 0.876 25302 76 1 13 "Average Difference" CA 35 1.686 0.588 1.603 25302 77 1 13 "Average Difference" CB 31 6.760 -2.855 6.228 25302 78 1 13 "Average Difference" HN 31 0.508 0.011 0.516 25302 79 1 14 "Average Difference" N 31 3.458 0.859 3.405 25302 80 1 14 "Average Difference" HA 39 0.415 0.076 0.414 25302 81 1 14 "Average Difference" C 35 0.879 0.345 0.820 25302 82 1 14 "Average Difference" CA 35 1.740 0.598 1.657 25302 83 1 14 "Average Difference" CB 31 6.738 -2.829 6.217 25302 84 1 14 "Average Difference" HN 31 0.460 0.006 0.468 25302 85 1 15 "Average Difference" N 31 3.841 1.443 3.619 25302 86 1 15 "Average Difference" HA 39 0.370 0.061 0.369 25302 87 1 15 "Average Difference" C 35 0.945 0.395 0.871 25302 88 1 15 "Average Difference" CA 35 1.720 0.625 1.626 25302 89 1 15 "Average Difference" CB 31 6.998 -3.017 6.419 25302 90 1 15 "Average Difference" HN 31 0.473 -0.021 0.480 25302 91 1 16 "Average Difference" N 31 3.600 1.434 3.357 25302 92 1 16 "Average Difference" HA 39 0.407 0.051 0.409 25302 93 1 16 "Average Difference" C 35 0.951 0.346 0.899 25302 94 1 16 "Average Difference" CA 35 1.792 0.675 1.684 25302 95 1 16 "Average Difference" CB 31 6.824 -2.901 6.279 25302 96 1 16 "Average Difference" HN 31 0.532 -0.014 0.540 25302 97 1 17 "Average Difference" N 31 3.799 1.571 3.516 25302 98 1 17 "Average Difference" HA 39 0.419 0.076 0.418 25302 99 1 17 "Average Difference" C 35 0.898 0.324 0.850 25302 100 1 17 "Average Difference" CA 35 1.784 0.650 1.686 25302 101 1 17 "Average Difference" CB 31 6.827 -2.981 6.244 25302 102 1 17 "Average Difference" HN 31 0.485 -0.012 0.493 25302 103 1 18 "Average Difference" N 31 3.773 1.429 3.550 25302 104 1 18 "Average Difference" HA 39 0.404 0.076 0.402 25302 105 1 18 "Average Difference" C 35 0.867 0.268 0.837 25302 106 1 18 "Average Difference" CA 35 1.684 0.546 1.617 25302 107 1 18 "Average Difference" CB 31 6.850 -2.918 6.300 25302 108 1 18 "Average Difference" HN 31 0.536 -0.063 0.541 25302 109 1 19 "Average Difference" N 31 4.194 2.052 3.719 25302 110 1 19 "Average Difference" HA 39 0.398 0.041 0.401 25302 111 1 19 "Average Difference" C 35 0.946 0.294 0.912 25302 112 1 19 "Average Difference" CA 35 1.866 0.809 1.706 25302 113 1 19 "Average Difference" CB 31 6.980 -3.216 6.297 25302 114 1 19 "Average Difference" HN 31 0.493 -0.008 0.501 25302 115 1 20 "Average Difference" N 31 3.880 1.435 3.664 25302 116 1 20 "Average Difference" HA 39 0.400 0.055 0.402 25302 117 1 20 "Average Difference" C 35 0.864 0.319 0.814 25302 118 1 20 "Average Difference" CA 35 1.898 0.695 1.792 25302 119 1 20 "Average Difference" CB 31 6.775 -2.929 6.210 25302 120 1 20 "Average Difference" HN 31 0.555 0.009 0.564 25302 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 25302 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 2 109.171 109.171 110.332 -1.161 25302 2 1 . 1 1 2 2 GLY C C 2 173.848 173.848 174.289 -0.441 25302 3 1 . 1 1 2 2 GLY CA C 2 45.179 45.179 45.453 -0.274 25302 4 1 . 1 1 2 2 GLY H H 2 8.599 8.599 8.672 -0.073 25302 5 1 . 1 1 3 3 GLU N N 3 120.814 120.814 119.332 1.482 25302 6 1 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.653 -0.538 25302 7 1 . 1 1 3 3 GLU C C 3 175.221 175.221 175.229 -0.008 25302 8 1 . 1 1 3 3 GLU CA C 3 57.148 57.148 55.281 1.867 25302 9 1 . 1 1 3 3 GLU CB C 3 29.301 29.301 31.595 -2.294 25302 10 1 . 1 1 3 3 GLU H H 3 8.477 8.477 7.991 0.487 25302 11 1 . 1 1 4 4 CYS N N 4 115.823 115.823 115.866 -0.043 25302 12 1 . 1 1 4 4 CYS HA H 4 4.906 4.906 5.156 -0.250 25302 13 1 . 1 1 4 4 CYS C C 4 174.789 174.789 174.947 -0.158 25302 14 1 . 1 1 4 4 CYS CA C 4 54.123 54.123 57.557 -3.434 25302 15 1 . 1 1 4 4 CYS CB C 4 46.590 46.590 29.562 17.028 25302 16 1 . 1 1 4 4 CYS H H 4 8.050 8.050 8.404 -0.354 25302 17 1 . 1 1 5 5 GLY N N 5 105.602 105.602 112.365 -6.763 25302 18 1 . 1 1 5 5 GLY C C 5 173.331 173.331 173.266 0.065 25302 19 1 . 1 1 5 5 GLY CA C 5 47.689 47.689 45.356 2.333 25302 20 1 . 1 1 5 5 GLY H H 5 8.272 8.272 8.699 -0.427 25302 21 1 . 1 1 6 6 ASP N N 6 119.525 119.525 119.363 0.162 25302 22 1 . 1 1 6 6 ASP HA H 6 5.176 5.176 4.874 0.302 25302 23 1 . 1 1 6 6 ASP C C 6 174.303 174.303 175.439 -1.136 25302 24 1 . 1 1 6 6 ASP CA C 6 51.824 51.824 52.818 -0.994 25302 25 1 . 1 1 6 6 ASP CB C 6 41.453 41.453 42.846 -1.393 25302 26 1 . 1 1 6 6 ASP H H 6 7.399 7.399 7.897 -0.498 25302 27 1 . 1 1 7 7 LYS HA H 7 2.390 2.390 3.765 -1.375 25302 28 1 . 1 1 7 7 LYS C C 7 176.491 176.491 176.312 0.179 25302 29 1 . 1 1 7 7 LYS CA C 7 57.908 57.908 57.290 0.618 25302 30 1 . 1 1 7 7 LYS CB C 7 31.315 31.315 31.374 -0.059 25302 31 1 . 1 1 8 8 ASP N N 8 118.123 118.123 121.255 -3.132 25302 32 1 . 1 1 8 8 ASP HA H 8 3.973 3.973 4.157 -0.184 25302 33 1 . 1 1 8 8 ASP C C 8 174.603 174.603 174.952 -0.348 25302 34 1 . 1 1 8 8 ASP CA C 8 56.600 56.600 55.730 0.870 25302 35 1 . 1 1 8 8 ASP CB C 8 39.126 39.126 39.614 -0.488 25302 36 1 . 1 1 8 8 ASP H H 8 8.763 8.763 8.505 0.258 25302 37 1 . 1 1 9 9 GLU N N 9 119.080 119.080 118.782 0.298 25302 38 1 . 1 1 9 9 GLU HA H 9 4.467 4.467 4.749 -0.282 25302 39 1 . 1 1 9 9 GLU C C 9 172.723 172.723 174.267 -1.544 25302 40 1 . 1 1 9 9 GLU CA C 9 53.456 53.456 52.900 0.556 25302 41 1 . 1 1 9 9 GLU CB C 9 27.509 27.509 31.526 -4.017 25302 42 1 . 1 1 9 9 GLU H H 9 7.842 7.842 7.612 0.230 25302 43 1 . 1 1 10 10 PRO HA H 10 4.888 4.888 4.580 0.308 25302 44 1 . 1 1 10 10 PRO C C 10 175.963 175.963 176.581 -0.618 25302 45 1 . 1 1 10 10 PRO CA C 10 62.124 62.124 62.912 -0.788 25302 46 1 . 1 1 10 10 PRO CB C 10 32.371 32.371 31.678 0.693 25302 47 1 . 1 1 11 11 CYS N N 11 117.256 117.256 119.280 -2.024 25302 48 1 . 1 1 11 11 CYS HA H 11 4.394 4.394 4.863 -0.469 25302 49 1 . 1 1 11 11 CYS C C 11 175.560 175.560 176.033 -0.473 25302 50 1 . 1 1 11 11 CYS CA C 11 55.442 55.442 56.677 -1.235 25302 51 1 . 1 1 11 11 CYS CB C 11 40.671 40.671 27.274 13.397 25302 52 1 . 1 1 11 11 CYS H H 11 7.440 7.440 8.009 -0.569 25302 53 1 . 1 1 12 12 CYS N N 12 122.475 122.475 123.138 -0.663 25302 54 1 . 1 1 12 12 CYS HA H 12 4.628 4.628 4.701 -0.073 25302 55 1 . 1 1 12 12 CYS C C 12 174.330 174.330 175.336 -1.006 25302 56 1 . 1 1 12 12 CYS CA C 12 53.235 53.235 57.043 -3.808 25302 57 1 . 1 1 12 12 CYS CB C 12 40.251 40.251 26.994 13.257 25302 58 1 . 1 1 12 12 CYS H H 12 9.249 9.249 8.642 0.607 25302 59 1 . 1 1 13 13 GLY N N 13 110.237 110.237 111.678 -1.441 25302 60 1 . 1 1 13 13 GLY C C 13 173.730 173.730 174.022 -0.292 25302 61 1 . 1 1 13 13 GLY CA C 13 44.775 44.775 44.639 0.136 25302 62 1 . 1 1 13 13 GLY H H 13 8.676 8.676 8.380 0.296 25302 63 1 . 1 1 14 14 ARG N N 14 123.065 123.065 125.197 -2.132 25302 64 1 . 1 1 14 14 ARG HA H 14 4.669 4.669 4.448 0.221 25302 65 1 . 1 1 14 14 ARG C C 14 176.773 176.773 176.520 0.253 25302 66 1 . 1 1 14 14 ARG CA C 14 53.641 53.641 54.057 -0.416 25302 67 1 . 1 1 14 14 ARG CB C 14 31.731 31.731 29.663 2.068 25302 68 1 . 1 1 14 14 ARG H H 14 8.255 8.255 8.192 0.063 25302 69 1 . 1 1 15 15 PRO HA H 15 4.223 4.223 4.281 -0.058 25302 70 1 . 1 1 15 15 PRO C C 15 176.628 176.628 176.771 -0.143 25302 71 1 . 1 1 15 15 PRO CA C 15 65.242 65.242 64.880 0.362 25302 72 1 . 1 1 15 15 PRO CB C 15 31.726 31.726 31.608 0.118 25302 73 1 . 1 1 16 16 ASP N N 16 113.958 113.958 115.579 -1.621 25302 74 1 . 1 1 16 16 ASP HA H 16 4.374 4.374 4.516 -0.142 25302 75 1 . 1 1 16 16 ASP C C 16 176.667 176.667 177.065 -0.398 25302 76 1 . 1 1 16 16 ASP CA C 16 53.356 53.356 54.122 -0.766 25302 77 1 . 1 1 16 16 ASP CB C 16 39.558 39.558 40.538 -0.981 25302 78 1 . 1 1 16 16 ASP H H 16 7.732 7.732 8.202 -0.470 25302 79 1 . 1 1 17 17 GLY N N 17 108.298 108.298 107.320 0.978 25302 80 1 . 1 1 17 17 GLY C C 17 174.120 174.120 173.814 0.306 25302 81 1 . 1 1 17 17 GLY CA C 17 44.601 44.601 44.658 -0.057 25302 82 1 . 1 1 17 17 GLY H H 17 8.123 8.123 7.878 0.245 25302 83 1 . 1 1 18 18 ALA N N 18 123.792 123.792 123.917 -0.125 25302 84 1 . 1 1 18 18 ALA HA H 18 4.150 4.150 4.389 -0.239 25302 85 1 . 1 1 18 18 ALA C C 18 176.098 176.098 176.796 -0.698 25302 86 1 . 1 1 18 18 ALA CA C 18 52.340 52.340 51.780 0.560 25302 87 1 . 1 1 18 18 ALA CB C 18 19.226 19.226 19.543 -0.317 25302 88 1 . 1 1 18 18 ALA H H 18 7.572 7.572 7.737 -0.165 25302 89 1 . 1 1 19 19 LYS N N 19 119.628 119.628 124.054 -4.426 25302 90 1 . 1 1 19 19 LYS HA H 19 5.051 5.051 4.343 0.708 25302 91 1 . 1 1 19 19 LYS C C 19 176.655 176.655 175.975 0.680 25302 92 1 . 1 1 19 19 LYS CA C 19 54.505 54.505 55.422 -0.917 25302 93 1 . 1 1 19 19 LYS CB C 19 35.815 35.815 32.521 3.294 25302 94 1 . 1 1 19 19 LYS H H 19 7.970 7.970 8.427 -0.457 25302 95 1 . 1 1 20 20 VAL N N 20 116.531 116.531 126.681 -10.150 25302 96 1 . 1 1 20 20 VAL HA H 20 4.617 4.617 4.025 0.592 25302 97 1 . 1 1 20 20 VAL C C 20 174.216 174.216 174.663 -0.447 25302 98 1 . 1 1 20 20 VAL CA C 20 60.059 60.059 62.678 -2.619 25302 99 1 . 1 1 20 20 VAL CB C 20 36.562 36.562 31.409 5.153 25302 100 1 . 1 1 20 20 VAL H H 20 8.757 8.757 8.243 0.514 25302 101 1 . 1 1 21 21 CYS N N 21 119.357 119.357 125.347 -5.990 25302 102 1 . 1 1 21 21 CYS HA H 21 4.852 4.852 4.801 0.051 25302 103 1 . 1 1 21 21 CYS C C 21 172.912 172.912 173.753 -0.841 25302 104 1 . 1 1 21 21 CYS CA C 21 55.011 55.011 57.717 -2.706 25302 105 1 . 1 1 21 21 CYS CB C 21 46.324 46.324 30.708 15.616 25302 106 1 . 1 1 21 21 CYS H H 21 8.386 8.386 8.365 0.021 25302 107 1 . 1 1 22 22 ASN N N 22 121.561 121.561 121.449 0.112 25302 108 1 . 1 1 22 22 ASN HA H 22 4.513 4.513 4.786 -0.273 25302 109 1 . 1 1 22 22 ASN C C 22 174.084 174.084 174.716 -0.632 25302 110 1 . 1 1 22 22 ASN CA C 22 52.542 52.542 52.816 -0.274 25302 111 1 . 1 1 22 22 ASN CB C 22 37.943 37.943 39.546 -1.603 25302 112 1 . 1 1 22 22 ASN H H 22 9.693 9.693 8.798 0.895 25302 113 1 . 1 1 23 23 ASP N N 23 121.712 121.712 120.022 1.690 25302 114 1 . 1 1 23 23 ASP HA H 23 4.309 4.309 4.559 -0.249 25302 115 1 . 1 1 23 23 ASP C C 23 174.448 174.448 175.446 -0.998 25302 116 1 . 1 1 23 23 ASP CA C 23 53.330 53.330 52.619 0.711 25302 117 1 . 1 1 23 23 ASP CB C 23 40.200 40.200 41.011 -0.811 25302 118 1 . 1 1 23 23 ASP H H 23 8.321 8.321 8.530 -0.209 25302 119 1 . 1 1 24 24 PRO HA H 24 4.365 4.365 4.433 -0.068 25302 120 1 . 1 1 24 24 PRO C C 24 174.513 174.513 175.756 -1.243 25302 121 1 . 1 1 24 24 PRO CA C 24 63.625 63.625 62.170 1.455 25302 122 1 . 1 1 24 24 PRO CB C 24 32.867 32.867 31.612 1.255 25302 123 1 . 1 1 25 25 TRP N N 25 125.765 125.765 120.532 5.233 25302 124 1 . 1 1 25 25 TRP HA H 25 4.710 4.710 4.647 0.063 25302 125 1 . 1 1 25 25 TRP C C 25 174.307 174.307 176.544 -2.237 25302 126 1 . 1 1 25 25 TRP CA C 25 56.733 56.733 56.802 -0.069 25302 127 1 . 1 1 25 25 TRP CB C 25 30.051 30.051 29.680 0.371 25302 128 1 . 1 1 25 25 TRP H H 25 8.334 8.334 7.130 1.204 25302 129 1 . 1 1 26 26 VAL N N 26 114.147 114.147 119.114 -4.967 25302 130 1 . 1 1 26 26 VAL HA H 26 4.371 4.371 4.579 -0.208 25302 131 1 . 1 1 26 26 VAL C C 26 174.295 174.295 175.267 -0.972 25302 132 1 . 1 1 26 26 VAL CA C 26 59.163 59.163 60.251 -1.088 25302 133 1 . 1 1 26 26 VAL CB C 26 35.278 35.278 34.962 0.316 25302 134 1 . 1 1 26 26 VAL H H 26 8.952 8.952 8.691 0.261 25302 135 1 . 1 1 27 27 CYS N N 27 122.366 122.366 126.698 -4.332 25302 136 1 . 1 1 27 27 CYS HA H 27 4.365 4.365 4.764 -0.399 25302 137 1 . 1 1 27 27 CYS C C 27 174.268 174.268 175.403 -1.135 25302 138 1 . 1 1 27 27 CYS CA C 27 56.656 56.656 58.343 -1.687 25302 139 1 . 1 1 27 27 CYS CB C 27 39.867 39.867 26.174 13.693 25302 140 1 . 1 1 27 27 CYS H H 27 8.747 8.747 8.876 -0.129 25302 141 1 . 1 1 28 28 ILE N N 28 133.803 133.803 130.476 3.327 25302 142 1 . 1 1 28 28 ILE HA H 28 4.132 4.132 4.182 -0.050 25302 143 1 . 1 1 28 28 ILE C C 28 177.492 177.492 176.516 0.976 25302 144 1 . 1 1 28 28 ILE CA C 28 58.495 58.495 60.838 -2.343 25302 145 1 . 1 1 28 28 ILE CB C 28 34.518 34.518 38.077 -3.559 25302 146 1 . 1 1 28 28 ILE H H 28 8.763 8.763 8.451 0.312 25302 147 1 . 1 1 29 29 LEU N N 29 128.360 128.360 129.535 -1.175 25302 148 1 . 1 1 29 29 LEU HA H 29 3.867 3.867 4.158 -0.291 25302 149 1 . 1 1 29 29 LEU C C 29 179.282 179.282 178.234 1.048 25302 150 1 . 1 1 29 29 LEU CA C 29 58.044 58.044 57.633 0.411 25302 151 1 . 1 1 29 29 LEU CB C 29 41.222 41.222 40.394 0.828 25302 152 1 . 1 1 29 29 LEU H H 29 8.452 8.452 8.843 -0.391 25302 153 1 . 1 1 30 30 THR N N 30 108.140 108.140 113.826 -5.686 25302 154 1 . 1 1 30 30 THR HA H 30 3.929 3.929 4.143 -0.214 25302 155 1 . 1 1 30 30 THR C C 30 175.393 175.393 175.619 -0.226 25302 156 1 . 1 1 30 30 THR CA C 30 64.119 64.119 64.688 -0.569 25302 157 1 . 1 1 30 30 THR CB C 30 67.994 67.994 68.823 -0.829 25302 158 1 . 1 1 30 30 THR H H 30 7.589 7.589 8.213 -0.624 25302 159 1 . 1 1 31 31 SER N N 31 112.240 112.240 115.562 -3.322 25302 160 1 . 1 1 31 31 SER HA H 31 4.446 4.446 4.533 -0.087 25302 161 1 . 1 1 31 31 SER C C 31 174.912 174.912 174.739 0.173 25302 162 1 . 1 1 31 31 SER CA C 31 56.859 56.859 58.512 -1.653 25302 163 1 . 1 1 31 31 SER CB C 31 64.760 64.760 63.865 0.895 25302 164 1 . 1 1 31 31 SER H H 31 7.002 7.002 7.753 -0.751 25302 165 1 . 1 1 32 32 SER N N 32 118.529 118.529 115.150 3.379 25302 166 1 . 1 1 32 32 SER HA H 32 3.604 3.604 4.101 -0.497 25302 167 1 . 1 1 32 32 SER C C 32 174.998 174.998 173.249 1.749 25302 168 1 . 1 1 32 32 SER CA C 32 59.523 59.523 59.935 -0.412 25302 169 1 . 1 1 32 32 SER CB C 32 62.111 62.111 61.346 0.765 25302 170 1 . 1 1 32 32 SER H H 32 8.558 8.558 8.130 0.428 25302 171 1 . 1 1 33 33 ARG N N 33 117.830 117.830 114.585 3.245 25302 172 1 . 1 1 33 33 ARG HA H 33 4.824 4.824 4.963 -0.138 25302 173 1 . 1 1 33 33 ARG C C 33 175.115 175.115 175.312 -0.197 25302 174 1 . 1 1 33 33 ARG CA C 33 53.420 53.420 53.824 -0.404 25302 175 1 . 1 1 33 33 ARG CB C 33 34.536 34.536 33.403 1.133 25302 176 1 . 1 1 33 33 ARG H H 33 7.215 7.215 7.463 -0.248 25302 177 1 . 1 1 34 34 CYS N N 34 120.813 120.813 122.343 -1.530 25302 178 1 . 1 1 34 34 CYS HA H 34 5.060 5.060 4.732 0.328 25302 179 1 . 1 1 34 34 CYS C C 34 175.041 175.041 174.546 0.495 25302 180 1 . 1 1 34 34 CYS CA C 34 53.695 53.695 59.721 -6.026 25302 181 1 . 1 1 34 34 CYS CB C 34 41.109 41.109 25.115 15.995 25302 182 1 . 1 1 34 34 CYS H H 34 8.284 8.284 8.693 -0.409 25302 183 1 . 1 1 35 35 GLU N N 35 123.396 123.396 124.396 -1.000 25302 184 1 . 1 1 35 35 GLU HA H 35 4.755 4.755 4.559 0.196 25302 185 1 . 1 1 35 35 GLU C C 35 175.069 175.069 174.981 0.088 25302 186 1 . 1 1 35 35 GLU CA C 35 54.341 54.341 54.627 -0.286 25302 187 1 . 1 1 35 35 GLU CB C 35 33.163 33.163 33.516 -0.353 25302 188 1 . 1 1 35 35 GLU H H 35 9.226 9.226 8.592 0.634 25302 189 1 . 1 1 36 36 ASN N N 36 118.081 118.081 118.225 -0.144 25302 190 1 . 1 1 36 36 ASN HA H 36 5.089 5.089 5.103 -0.014 25302 191 1 . 1 1 36 36 ASN C C 36 172.567 172.567 173.983 -1.416 25302 192 1 . 1 1 36 36 ASN CA C 36 52.454 52.454 52.391 0.063 25302 193 1 . 1 1 36 36 ASN CB C 36 38.398 38.398 38.066 0.332 25302 194 1 . 1 1 36 36 ASN H H 36 8.540 8.540 8.712 -0.172 25302 stop_ save_