data_19660 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19660 _Entry.PDB_ID 2MHY 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 19660 _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 GLN N N 2 125.663 125.663 120.129 5.534 19660 2 1 1 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.100 0.298 19660 3 1 1 . 1 1 2 2 GLN C C 2 174.668 174.668 174.817 -0.149 19660 4 1 1 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.969 -1.197 19660 5 1 1 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.218 -1.195 19660 6 1 1 . 1 1 2 2 GLN H H 2 8.383 8.383 8.519 -0.136 19660 7 1 1 . 1 1 3 3 CYS N N 3 118.829 118.829 120.033 -1.204 19660 8 1 1 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.141 0.005 19660 9 1 1 . 1 1 3 3 CYS C C 3 174.118 174.118 173.962 0.156 19660 10 1 1 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.773 -5.806 19660 11 1 1 . 1 1 3 3 CYS H H 3 9.023 9.023 9.287 -0.264 19660 12 1 1 . 1 1 4 4 ASN N N 4 119.446 119.446 120.207 -0.761 19660 13 1 1 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.965 0.067 19660 14 1 1 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.727 0.633 19660 15 1 1 . 1 1 4 4 ASN CB C 4 39.627 39.627 39.967 -0.340 19660 16 1 1 . 1 1 4 4 ASN H H 4 9.225 9.225 8.761 0.464 19660 17 1 1 . 1 1 5 5 THR N N 5 109.185 109.185 109.781 -0.596 19660 18 1 1 . 1 1 5 5 THR HA H 5 4.934 4.934 4.812 0.122 19660 19 1 1 . 1 1 5 5 THR C C 5 176.984 176.984 176.384 0.600 19660 20 1 1 . 1 1 5 5 THR CA C 5 60.188 60.188 59.637 0.551 19660 21 1 1 . 1 1 5 5 THR CB C 5 70.286 70.286 72.381 -2.095 19660 22 1 1 . 1 1 5 5 THR H H 5 7.823 7.823 8.268 -0.445 19660 23 1 1 . 1 1 6 6 LEU N N 6 123.023 123.023 120.130 2.893 19660 24 1 1 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.270 -0.297 19660 25 1 1 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.240 0.384 19660 26 1 1 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.895 0.997 19660 27 1 1 . 1 1 6 6 LEU H H 6 8.958 8.958 8.855 0.103 19660 28 1 1 . 1 1 7 7 ASP N N 7 115.117 115.117 118.183 -3.066 19660 29 1 1 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.548 -0.014 19660 30 1 1 . 1 1 7 7 ASP C C 7 176.415 176.415 176.940 -0.525 19660 31 1 1 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.404 -0.664 19660 32 1 1 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.952 -0.797 19660 33 1 1 . 1 1 7 7 ASP H H 7 8.258 8.258 7.843 0.414 19660 34 1 1 . 1 1 8 8 GLY N N 8 106.811 106.811 105.945 0.866 19660 35 1 1 . 1 1 8 8 GLY C C 8 174.831 174.831 174.878 -0.047 19660 36 1 1 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.955 0.454 19660 37 1 1 . 1 1 8 8 GLY H H 8 7.669 7.669 7.762 -0.093 19660 38 1 1 . 1 1 9 9 GLY N N 9 109.185 109.185 108.881 0.304 19660 39 1 1 . 1 1 9 9 GLY C C 9 173.522 173.522 172.578 0.944 19660 40 1 1 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.296 -0.218 19660 41 1 1 . 1 1 9 9 GLY H H 9 7.501 7.501 7.773 -0.272 19660 42 1 1 . 1 1 10 10 THR N N 10 109.837 109.837 111.215 -1.378 19660 43 1 1 . 1 1 10 10 THR HA H 10 5.220 5.220 4.795 0.425 19660 44 1 1 . 1 1 10 10 THR CA C 10 60.357 60.357 60.583 -0.226 19660 45 1 1 . 1 1 10 10 THR CB C 10 72.680 72.680 71.223 1.457 19660 46 1 1 . 1 1 10 10 THR H H 10 8.115 8.115 8.025 0.090 19660 47 1 1 . 1 1 11 11 GLU N N 11 121.356 121.356 122.737 -1.381 19660 48 1 1 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.783 -0.157 19660 49 1 1 . 1 1 11 11 GLU C C 11 174.150 174.150 175.316 -1.166 19660 50 1 1 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.127 0.542 19660 51 1 1 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.315 0.029 19660 52 1 1 . 1 1 11 11 GLU H H 11 9.133 9.133 9.218 -0.085 19660 53 1 1 . 1 1 12 12 GLU N N 12 125.546 125.546 121.041 4.505 19660 54 1 1 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.536 -0.070 19660 55 1 1 . 1 1 12 12 GLU C C 12 176.388 176.388 175.920 0.468 19660 56 1 1 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.290 0.317 19660 57 1 1 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.991 -0.151 19660 58 1 1 . 1 1 12 12 GLU H H 12 8.710 8.710 8.604 0.106 19660 59 1 1 . 1 1 13 13 CYS N N 13 125.853 125.853 125.428 0.425 19660 60 1 1 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.926 -0.009 19660 61 1 1 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.699 -6.073 19660 62 1 1 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.893 10.391 19660 63 1 1 . 1 1 13 13 CYS H H 13 8.840 8.840 8.451 0.389 19660 64 1 1 . 1 1 14 14 ILE N N 14 127.700 127.700 123.762 3.938 19660 65 1 1 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.562 -0.270 19660 66 1 1 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.924 1.462 19660 67 1 1 . 1 1 14 14 ILE H H 14 8.387 8.387 8.490 -0.103 19660 68 1 1 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.428 0.001 19660 69 1 1 . 1 1 15 15 PRO CA C 15 63.787 63.787 64.942 -1.155 19660 70 1 1 . 1 1 15 15 PRO CB C 15 32.406 32.406 31.644 0.762 19660 71 1 1 . 1 1 16 16 GLY N N 16 111.774 111.774 106.322 5.452 19660 72 1 1 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.607 0.427 19660 73 1 1 . 1 1 16 16 GLY H H 16 8.752 8.752 8.532 0.220 19660 74 1 1 . 1 1 17 17 ILE N N 17 118.758 118.758 116.068 2.690 19660 75 1 1 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.086 -0.116 19660 76 1 1 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.365 0.723 19660 77 1 1 . 1 1 17 17 ILE CB C 17 39.291 39.291 39.458 -0.167 19660 78 1 1 . 1 1 17 17 ILE H H 17 7.527 7.527 7.226 0.300 19660 79 1 1 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.539 0.161 19660 80 1 1 . 1 1 18 18 TYR CA C 18 57.373 57.373 57.312 0.061 19660 81 1 1 . 1 1 18 18 TYR CB C 18 39.765 39.765 36.150 3.615 19660 82 1 1 . 1 1 19 19 ASN N N 19 118.488 118.488 119.379 -0.891 19660 83 1 1 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.831 -0.083 19660 84 1 1 . 1 1 19 19 ASN C C 19 174.728 174.728 175.272 -0.544 19660 85 1 1 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.311 -0.515 19660 86 1 1 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.405 -2.016 19660 87 1 1 . 1 1 19 19 ASN H H 19 8.512 8.512 8.806 -0.294 19660 88 1 1 . 1 1 20 20 VAL N N 20 114.324 114.324 115.152 -0.828 19660 89 1 1 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.650 0.037 19660 90 1 1 . 1 1 20 20 VAL C C 20 173.641 173.641 173.828 -0.187 19660 91 1 1 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.521 -0.399 19660 92 1 1 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.054 1.887 19660 93 1 1 . 1 1 20 20 VAL H H 20 8.064 8.064 8.095 -0.031 19660 94 1 1 . 1 1 21 21 CYS N N 21 117.375 117.375 116.329 1.046 19660 95 1 1 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.875 0.656 19660 96 1 1 . 1 1 21 21 CYS C C 21 169.343 169.343 172.881 -3.538 19660 97 1 1 . 1 1 21 21 CYS CA C 21 52.500 52.500 58.260 -5.760 19660 98 1 1 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.412 9.008 19660 99 1 1 . 1 1 21 21 CYS H H 21 9.308 9.308 8.174 1.134 19660 100 1 1 . 1 1 22 22 VAL N N 22 118.966 118.966 120.887 -1.921 19660 101 1 1 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.419 1.060 19660 102 1 1 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.093 -0.489 19660 103 1 1 . 1 1 22 22 VAL CB C 22 36.237 36.237 34.927 1.310 19660 104 1 1 . 1 1 22 22 VAL H H 22 9.168 9.168 7.988 1.180 19660 105 1 1 . 1 1 23 23 HIS N N 23 127.041 127.041 126.067 0.974 19660 106 1 1 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.779 0.737 19660 107 1 1 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.402 -0.164 19660 108 1 1 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.943 2.459 19660 109 1 1 . 1 1 23 23 HIS H H 23 9.214 9.214 8.518 0.696 19660 110 1 1 . 1 1 24 24 TYR N N 24 132.376 132.376 129.702 2.674 19660 111 1 1 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.411 0.212 19660 112 1 1 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.040 -0.390 19660 113 1 1 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.293 1.755 19660 114 1 1 . 1 1 24 24 TYR H H 24 8.967 8.967 8.884 0.083 19660 115 1 1 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.433 0.396 19660 116 1 1 . 1 1 25 25 LYS C C 25 173.479 173.479 174.759 -1.280 19660 117 1 1 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.115 1.133 19660 118 1 1 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.317 1.952 19660 119 1 1 . 1 1 25 25 LYS H H 25 8.028 8.028 8.136 -0.108 19660 120 1 1 . 1 1 26 26 SER N N 26 125.633 125.633 120.939 4.694 19660 121 1 1 . 1 1 26 26 SER HA H 26 4.959 4.959 4.697 0.262 19660 122 1 1 . 1 1 26 26 SER C C 26 174.081 174.081 173.714 0.367 19660 123 1 1 . 1 1 26 26 SER CA C 26 56.012 56.012 57.310 -1.298 19660 124 1 1 . 1 1 26 26 SER CB C 26 66.581 66.581 66.264 0.317 19660 125 1 1 . 1 1 26 26 SER H H 26 9.314 9.314 8.518 0.796 19660 126 1 1 . 1 1 27 27 GLU N N 27 118.790 118.790 121.149 -2.359 19660 127 1 1 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.185 -0.109 19660 128 1 1 . 1 1 27 27 GLU CA C 27 59.149 59.149 58.053 1.096 19660 129 1 1 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.938 -0.426 19660 130 1 1 . 1 1 27 27 GLU H H 27 8.848 8.848 8.571 0.277 19660 131 1 1 . 1 1 28 28 ASP N N 28 114.555 114.555 119.977 -5.422 19660 132 1 1 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.703 0.115 19660 133 1 1 . 1 1 28 28 ASP C C 28 175.500 175.500 175.478 0.022 19660 134 1 1 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.829 -0.264 19660 135 1 1 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.483 1.799 19660 136 1 1 . 1 1 28 28 ASP H H 28 8.145 8.145 8.331 -0.186 19660 137 1 1 . 1 1 29 29 GLU N N 29 119.483 119.483 117.568 1.915 19660 138 1 1 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.602 0.183 19660 139 1 1 . 1 1 29 29 GLU C C 29 173.282 173.282 174.001 -0.719 19660 140 1 1 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.514 0.157 19660 141 1 1 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.612 1.258 19660 142 1 1 . 1 1 29 29 GLU H H 29 7.774 7.774 7.967 -0.193 19660 143 1 1 . 1 1 30 30 GLU N N 30 122.376 122.376 121.338 1.038 19660 144 1 1 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.901 0.582 19660 145 1 1 . 1 1 30 30 GLU C C 30 174.486 174.486 174.712 -0.226 19660 146 1 1 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.012 -0.960 19660 147 1 1 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.165 0.688 19660 148 1 1 . 1 1 30 30 GLU H H 30 8.419 8.419 8.614 -0.195 19660 149 1 1 . 1 1 31 31 TYR N N 31 119.914 119.914 121.998 -2.084 19660 150 1 1 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.990 0.000 19660 151 1 1 . 1 1 31 31 TYR C C 31 173.240 173.240 173.013 0.227 19660 152 1 1 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.363 0.995 19660 153 1 1 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.371 -0.612 19660 154 1 1 . 1 1 31 31 TYR H H 31 9.089 9.089 8.707 0.382 19660 155 1 1 . 1 1 32 32 LYS N N 32 121.363 121.363 120.673 0.690 19660 156 1 1 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.860 0.596 19660 157 1 1 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.064 -0.130 19660 158 1 1 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.702 1.640 19660 159 1 1 . 1 1 32 32 LYS H H 32 8.643 8.643 8.514 0.129 19660 160 1 1 . 1 1 33 33 SER N N 33 113.477 113.477 116.784 -3.307 19660 161 1 1 . 1 1 33 33 SER HA H 33 4.599 4.599 4.752 -0.153 19660 162 1 1 . 1 1 33 33 SER C C 33 174.210 174.210 172.490 1.720 19660 163 1 1 . 1 1 33 33 SER CA C 33 58.123 58.123 58.355 -0.232 19660 164 1 1 . 1 1 33 33 SER CB C 33 66.263 66.263 65.063 1.200 19660 165 1 1 . 1 1 33 33 SER H H 33 8.151 8.151 8.143 0.008 19660 166 1 1 . 1 1 34 34 CYS N N 34 118.998 118.998 121.915 -2.917 19660 167 1 1 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.651 0.643 19660 168 1 1 . 1 1 34 34 CYS C C 34 175.636 175.636 173.299 2.337 19660 169 1 1 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.193 -0.465 19660 170 1 1 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.156 15.358 19660 171 1 1 . 1 1 34 34 CYS H H 34 8.652 8.652 8.642 0.010 19660 172 1 1 . 1 1 35 35 GLY N N 35 112.013 112.013 107.402 4.611 19660 173 1 1 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.927 -0.005 19660 174 1 1 . 1 1 35 35 GLY H H 35 9.451 9.451 8.353 1.098 19660 175 1 1 . 1 1 36 36 ILE N N 36 118.738 118.738 119.464 -0.726 19660 176 1 1 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.772 0.079 19660 177 1 1 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.343 0.534 19660 178 1 1 . 1 1 36 36 ILE H H 36 8.576 8.576 7.851 0.725 19660 179 1 1 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.906 0.041 19660 180 1 1 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.447 -0.182 19660 181 1 1 . 1 1 38 38 GLU N N 38 117.838 117.838 117.543 0.295 19660 182 1 1 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.073 -0.019 19660 183 1 1 . 1 1 38 38 GLU C C 38 177.610 177.610 178.347 -0.737 19660 184 1 1 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.102 0.729 19660 185 1 1 . 1 1 38 38 GLU H H 38 9.140 9.140 8.622 0.518 19660 186 1 1 . 1 1 39 39 GLU N N 39 117.727 117.727 118.957 -1.230 19660 187 1 1 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.335 0.027 19660 188 1 1 . 1 1 39 39 GLU C C 39 177.387 177.387 179.346 -1.959 19660 189 1 1 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.305 -1.148 19660 190 1 1 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.304 -0.496 19660 191 1 1 . 1 1 39 39 GLU H H 39 7.933 7.933 7.945 -0.012 19660 192 1 1 . 1 1 40 40 CYS N N 40 117.847 117.847 120.141 -2.294 19660 193 1 1 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.210 0.162 19660 194 1 1 . 1 1 40 40 CYS C C 40 174.430 174.430 176.878 -2.448 19660 195 1 1 . 1 1 40 40 CYS CA C 40 58.787 58.787 63.445 -4.658 19660 196 1 1 . 1 1 40 40 CYS CB C 40 44.304 44.304 26.037 18.267 19660 197 1 1 . 1 1 40 40 CYS H H 40 7.745 7.745 8.799 -1.054 19660 198 1 1 . 1 1 41 41 GLU N N 41 120.521 120.521 119.650 0.871 19660 199 1 1 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.019 0.319 19660 200 1 1 . 1 1 41 41 GLU CA C 41 56.224 56.224 58.649 -2.425 19660 201 1 1 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.382 1.718 19660 202 1 1 . 1 1 41 41 GLU H H 41 7.680 7.680 8.266 -0.586 19660 203 1 1 . 1 1 42 42 ASP N N 42 121.236 121.236 119.584 1.652 19660 204 1 1 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.366 0.226 19660 205 1 1 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.344 -1.770 19660 206 1 1 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.965 0.229 19660 207 1 1 . 1 1 42 42 ASP H H 42 8.254 8.254 7.596 0.658 19660 208 1 1 . 1 1 43 43 ALA N N 43 124.610 124.610 122.519 2.091 19660 209 1 1 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.317 0.163 19660 210 1 1 . 1 1 43 43 ALA CA C 43 51.986 51.986 51.963 0.023 19660 211 1 1 . 1 1 43 43 ALA CB C 43 20.651 20.651 17.975 2.676 19660 212 1 1 . 1 1 43 43 ALA H H 43 8.104 8.104 7.461 0.643 19660 213 1 1 . 1 1 44 44 GLU N N 44 121.280 121.280 124.392 -3.112 19660 214 1 1 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.202 0.025 19660 215 1 1 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.210 0.003 19660 216 1 1 . 1 1 44 44 GLU H H 44 8.565 8.565 7.899 0.666 19660 217 1 1 . 1 1 45 45 GLY N N 45 111.878 111.878 111.756 0.122 19660 218 1 1 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.596 1.202 19660 219 1 1 . 1 1 45 45 GLY H H 45 8.749 8.749 8.969 -0.220 19660 220 1 1 . 1 1 46 46 ALA N N 46 122.249 122.249 123.380 -1.131 19660 221 1 1 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.704 -0.148 19660 222 1 1 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.296 -0.047 19660 223 1 1 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.796 0.552 19660 224 1 1 . 1 1 46 46 ALA H H 46 7.818 7.818 7.637 0.181 19660 225 1 1 . 1 1 47 47 THR N N 47 116.571 116.571 115.409 1.162 19660 226 1 1 . 1 1 47 47 THR HA H 47 4.305 4.305 4.451 -0.146 19660 227 1 1 . 1 1 47 47 THR CA C 47 61.924 61.924 61.197 0.727 19660 228 1 1 . 1 1 47 47 THR H H 47 8.387 8.387 8.246 0.141 19660 229 1 1 . 1 1 48 48 VAL N N 48 127.683 127.683 126.520 1.163 19660 230 1 1 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.263 0.370 19660 231 1 1 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.029 2.306 19660 232 1 1 . 1 1 48 48 VAL H H 48 8.695 8.695 8.437 0.258 19660 233 1 1 . 1 1 49 49 LEU N N 49 129.662 129.662 127.949 1.713 19660 234 1 1 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.628 0.094 19660 235 1 1 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.284 -0.474 19660 236 1 1 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.270 0.320 19660 237 1 1 . 1 1 49 49 LEU H H 49 8.594 8.594 8.329 0.265 19660 238 1 1 . 1 1 50 50 CYS N N 50 123.551 123.551 123.380 0.171 19660 239 1 1 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.768 0.971 19660 240 1 1 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.576 -3.287 19660 241 1 1 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.465 17.959 19660 242 1 1 . 1 1 50 50 CYS H H 50 8.910 8.910 8.273 0.637 19660 243 1 1 . 1 1 51 51 CYS N N 51 119.604 119.604 125.976 -6.372 19660 244 1 1 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.859 0.510 19660 245 1 1 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.739 -4.139 19660 246 1 1 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.767 17.736 19660 247 1 1 . 1 1 51 51 CYS H H 51 9.281 9.281 8.987 0.294 19660 248 1 1 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.276 0.702 19660 249 1 1 . 1 1 52 52 PRO C C 52 175.082 175.082 176.660 -1.578 19660 250 1 1 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.821 0.613 19660 251 1 1 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.264 0.170 19660 252 1 1 . 1 1 53 53 GLU N N 53 121.348 121.348 119.204 2.144 19660 253 1 1 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.462 0.089 19660 254 1 1 . 1 1 53 53 GLU C C 53 174.317 174.317 174.947 -0.630 19660 255 1 1 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.131 0.574 19660 256 1 1 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.992 1.083 19660 257 1 1 . 1 1 53 53 GLU H H 53 7.232 7.232 7.870 -0.638 19660 258 1 1 . 1 1 54 54 ASP N N 54 118.893 118.893 117.418 1.475 19660 259 1 1 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.576 0.294 19660 260 1 1 . 1 1 54 54 ASP C C 54 177.950 177.950 176.289 1.661 19660 261 1 1 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.326 2.224 19660 262 1 1 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.694 -0.107 19660 263 1 1 . 1 1 54 54 ASP H H 54 8.230 8.230 8.360 -0.130 19660 264 1 1 . 1 1 55 55 LEU N N 55 113.945 113.945 118.726 -4.781 19660 265 1 1 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.831 -0.141 19660 266 1 1 . 1 1 55 55 LEU C C 55 176.734 176.734 176.506 0.228 19660 267 1 1 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.305 0.341 19660 268 1 1 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.468 -1.774 19660 269 1 1 . 1 1 55 55 LEU H H 55 9.462 9.462 8.801 0.661 19660 270 1 1 . 1 1 56 56 CYS N N 56 112.784 112.784 119.031 -6.247 19660 271 1 1 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.442 0.072 19660 272 1 1 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.052 -1.131 19660 273 1 1 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.913 18.815 19660 274 1 1 . 1 1 56 56 CYS H H 56 7.647 7.647 9.041 -1.394 19660 275 1 2 . 1 1 2 2 GLN N N 2 125.663 125.663 120.081 5.582 19660 276 1 2 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.170 0.228 19660 277 1 2 . 1 1 2 2 GLN C C 2 174.668 174.668 174.809 -0.141 19660 278 1 2 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.768 -0.996 19660 279 1 2 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.273 -1.250 19660 280 1 2 . 1 1 2 2 GLN H H 2 8.383 8.383 8.358 0.025 19660 281 1 2 . 1 1 3 3 CYS N N 3 118.829 118.829 120.025 -1.196 19660 282 1 2 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.130 0.016 19660 283 1 2 . 1 1 3 3 CYS C C 3 174.118 174.118 174.062 0.056 19660 284 1 2 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.782 -5.815 19660 285 1 2 . 1 1 3 3 CYS H H 3 9.023 9.023 9.245 -0.222 19660 286 1 2 . 1 1 4 4 ASN N N 4 119.446 119.446 121.184 -1.738 19660 287 1 2 . 1 1 4 4 ASN HA H 4 5.032 5.032 5.313 -0.281 19660 288 1 2 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.580 0.780 19660 289 1 2 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.087 -0.460 19660 290 1 2 . 1 1 4 4 ASN H H 4 9.225 9.225 8.626 0.599 19660 291 1 2 . 1 1 5 5 THR N N 5 109.185 109.185 110.697 -1.512 19660 292 1 2 . 1 1 5 5 THR HA H 5 4.934 4.934 4.874 0.060 19660 293 1 2 . 1 1 5 5 THR C C 5 176.984 176.984 176.014 0.970 19660 294 1 2 . 1 1 5 5 THR CA C 5 60.188 60.188 59.859 0.329 19660 295 1 2 . 1 1 5 5 THR CB C 5 70.286 70.286 72.272 -1.986 19660 296 1 2 . 1 1 5 5 THR H H 5 7.823 7.823 8.169 -0.346 19660 297 1 2 . 1 1 6 6 LEU N N 6 123.023 123.023 120.188 2.835 19660 298 1 2 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.347 -0.374 19660 299 1 2 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.822 -0.198 19660 300 1 2 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.732 1.160 19660 301 1 2 . 1 1 6 6 LEU H H 6 8.958 8.958 8.697 0.261 19660 302 1 2 . 1 1 7 7 ASP N N 7 115.117 115.117 118.606 -3.489 19660 303 1 2 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.590 -0.056 19660 304 1 2 . 1 1 7 7 ASP C C 7 176.415 176.415 177.165 -0.750 19660 305 1 2 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.060 -0.320 19660 306 1 2 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.743 -0.588 19660 307 1 2 . 1 1 7 7 ASP H H 7 8.258 8.258 7.883 0.375 19660 308 1 2 . 1 1 8 8 GLY N N 8 106.811 106.811 106.279 0.532 19660 309 1 2 . 1 1 8 8 GLY C C 8 174.831 174.831 175.115 -0.284 19660 310 1 2 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.928 0.481 19660 311 1 2 . 1 1 8 8 GLY H H 8 7.669 7.669 7.848 -0.179 19660 312 1 2 . 1 1 9 9 GLY N N 9 109.185 109.185 107.987 1.198 19660 313 1 2 . 1 1 9 9 GLY C C 9 173.522 173.522 173.336 0.186 19660 314 1 2 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.351 -0.273 19660 315 1 2 . 1 1 9 9 GLY H H 9 7.501 7.501 8.024 -0.523 19660 316 1 2 . 1 1 10 10 THR N N 10 109.837 109.837 111.803 -1.966 19660 317 1 2 . 1 1 10 10 THR HA H 10 5.220 5.220 4.884 0.336 19660 318 1 2 . 1 1 10 10 THR CA C 10 60.357 60.357 60.750 -0.393 19660 319 1 2 . 1 1 10 10 THR CB C 10 72.680 72.680 71.151 1.529 19660 320 1 2 . 1 1 10 10 THR H H 10 8.115 8.115 8.047 0.068 19660 321 1 2 . 1 1 11 11 GLU N N 11 121.356 121.356 123.225 -1.869 19660 322 1 2 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.694 -0.068 19660 323 1 2 . 1 1 11 11 GLU C C 11 174.150 174.150 175.636 -1.486 19660 324 1 2 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.701 -0.032 19660 325 1 2 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.610 -0.266 19660 326 1 2 . 1 1 11 11 GLU H H 11 9.133 9.133 9.025 0.108 19660 327 1 2 . 1 1 12 12 GLU N N 12 125.546 125.546 122.094 3.452 19660 328 1 2 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.578 -0.112 19660 329 1 2 . 1 1 12 12 GLU C C 12 176.388 176.388 175.698 0.690 19660 330 1 2 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.434 0.173 19660 331 1 2 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.179 0.661 19660 332 1 2 . 1 1 12 12 GLU H H 12 8.710 8.710 8.692 0.018 19660 333 1 2 . 1 1 13 13 CYS N N 13 125.853 125.853 124.880 0.973 19660 334 1 2 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.839 0.078 19660 335 1 2 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.498 -5.872 19660 336 1 2 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.634 10.650 19660 337 1 2 . 1 1 13 13 CYS H H 13 8.840 8.840 8.553 0.287 19660 338 1 2 . 1 1 14 14 ILE N N 14 127.700 127.700 122.696 5.004 19660 339 1 2 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.622 -0.330 19660 340 1 2 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.300 2.086 19660 341 1 2 . 1 1 14 14 ILE H H 14 8.387 8.387 8.381 0.006 19660 342 1 2 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.374 0.055 19660 343 1 2 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.432 0.355 19660 344 1 2 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.241 2.165 19660 345 1 2 . 1 1 16 16 GLY N N 16 111.774 111.774 111.451 0.323 19660 346 1 2 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.794 0.240 19660 347 1 2 . 1 1 16 16 GLY H H 16 8.752 8.752 8.231 0.521 19660 348 1 2 . 1 1 17 17 ILE N N 17 118.758 118.758 121.119 -2.361 19660 349 1 2 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.016 -0.046 19660 350 1 2 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.490 0.598 19660 351 1 2 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.374 0.917 19660 352 1 2 . 1 1 17 17 ILE H H 17 7.527 7.527 7.678 -0.151 19660 353 1 2 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.862 -0.162 19660 354 1 2 . 1 1 18 18 TYR CA C 18 57.373 57.373 55.942 1.431 19660 355 1 2 . 1 1 18 18 TYR CB C 18 39.765 39.765 38.332 1.433 19660 356 1 2 . 1 1 19 19 ASN N N 19 118.488 118.488 121.328 -2.840 19660 357 1 2 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.940 -0.192 19660 358 1 2 . 1 1 19 19 ASN C C 19 174.728 174.728 174.758 -0.030 19660 359 1 2 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.300 -0.504 19660 360 1 2 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.179 -1.790 19660 361 1 2 . 1 1 19 19 ASN H H 19 8.512 8.512 9.166 -0.654 19660 362 1 2 . 1 1 20 20 VAL N N 20 114.324 114.324 115.955 -1.631 19660 363 1 2 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.661 0.026 19660 364 1 2 . 1 1 20 20 VAL C C 20 173.641 173.641 174.157 -0.516 19660 365 1 2 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.294 -0.172 19660 366 1 2 . 1 1 20 20 VAL CB C 20 36.941 36.941 34.578 2.363 19660 367 1 2 . 1 1 20 20 VAL H H 20 8.064 8.064 8.295 -0.231 19660 368 1 2 . 1 1 21 21 CYS N N 21 117.375 117.375 115.637 1.738 19660 369 1 2 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.792 0.739 19660 370 1 2 . 1 1 21 21 CYS C C 21 169.343 169.343 172.656 -3.313 19660 371 1 2 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.643 -5.143 19660 372 1 2 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.743 8.677 19660 373 1 2 . 1 1 21 21 CYS H H 21 9.308 9.308 8.213 1.095 19660 374 1 2 . 1 1 22 22 VAL N N 22 118.966 118.966 120.355 -1.389 19660 375 1 2 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.504 0.975 19660 376 1 2 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.309 -0.705 19660 377 1 2 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.797 0.440 19660 378 1 2 . 1 1 22 22 VAL H H 22 9.168 9.168 8.378 0.790 19660 379 1 2 . 1 1 23 23 HIS N N 23 127.041 127.041 126.186 0.855 19660 380 1 2 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.766 0.749 19660 381 1 2 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.342 -0.104 19660 382 1 2 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.893 2.509 19660 383 1 2 . 1 1 23 23 HIS H H 23 9.214 9.214 8.464 0.750 19660 384 1 2 . 1 1 24 24 TYR N N 24 132.376 132.376 129.431 2.945 19660 385 1 2 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.428 0.195 19660 386 1 2 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.041 -0.391 19660 387 1 2 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.478 1.570 19660 388 1 2 . 1 1 24 24 TYR H H 24 8.967 8.967 8.925 0.042 19660 389 1 2 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.432 0.397 19660 390 1 2 . 1 1 25 25 LYS C C 25 173.479 173.479 174.815 -1.336 19660 391 1 2 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.352 0.895 19660 392 1 2 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.281 1.988 19660 393 1 2 . 1 1 25 25 LYS H H 25 8.028 8.028 8.147 -0.119 19660 394 1 2 . 1 1 26 26 SER N N 26 125.633 125.633 121.546 4.087 19660 395 1 2 . 1 1 26 26 SER HA H 26 4.959 4.959 4.694 0.265 19660 396 1 2 . 1 1 26 26 SER C C 26 174.081 174.081 173.592 0.489 19660 397 1 2 . 1 1 26 26 SER CA C 26 56.012 56.012 57.395 -1.383 19660 398 1 2 . 1 1 26 26 SER CB C 26 66.581 66.581 66.240 0.341 19660 399 1 2 . 1 1 26 26 SER H H 26 9.314 9.314 8.703 0.611 19660 400 1 2 . 1 1 27 27 GLU N N 27 118.790 118.790 121.198 -2.408 19660 401 1 2 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.208 -0.132 19660 402 1 2 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.921 1.228 19660 403 1 2 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.930 -0.418 19660 404 1 2 . 1 1 27 27 GLU H H 27 8.848 8.848 8.624 0.224 19660 405 1 2 . 1 1 28 28 ASP N N 28 114.555 114.555 120.067 -5.512 19660 406 1 2 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.688 0.130 19660 407 1 2 . 1 1 28 28 ASP C C 28 175.500 175.500 175.638 -0.138 19660 408 1 2 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.975 -0.410 19660 409 1 2 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.599 1.683 19660 410 1 2 . 1 1 28 28 ASP H H 28 8.145 8.145 8.336 -0.191 19660 411 1 2 . 1 1 29 29 GLU N N 29 119.483 119.483 117.982 1.501 19660 412 1 2 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.592 0.193 19660 413 1 2 . 1 1 29 29 GLU C C 29 173.282 173.282 173.952 -0.670 19660 414 1 2 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.501 0.171 19660 415 1 2 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.551 1.319 19660 416 1 2 . 1 1 29 29 GLU H H 29 7.774 7.774 7.954 -0.180 19660 417 1 2 . 1 1 30 30 GLU N N 30 122.376 122.376 121.400 0.976 19660 418 1 2 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.920 0.563 19660 419 1 2 . 1 1 30 30 GLU C C 30 174.486 174.486 174.704 -0.218 19660 420 1 2 . 1 1 30 30 GLU CA C 30 55.052 55.052 55.989 -0.937 19660 421 1 2 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.188 0.665 19660 422 1 2 . 1 1 30 30 GLU H H 30 8.419 8.419 8.617 -0.198 19660 423 1 2 . 1 1 31 31 TYR N N 31 119.914 119.914 122.012 -2.098 19660 424 1 2 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.994 -0.004 19660 425 1 2 . 1 1 31 31 TYR C C 31 173.240 173.240 173.012 0.228 19660 426 1 2 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.424 0.934 19660 427 1 2 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.453 -0.694 19660 428 1 2 . 1 1 31 31 TYR H H 31 9.089 9.089 8.748 0.341 19660 429 1 2 . 1 1 32 32 LYS N N 32 121.363 121.363 120.196 1.167 19660 430 1 2 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.813 0.643 19660 431 1 2 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.068 -0.134 19660 432 1 2 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.753 1.589 19660 433 1 2 . 1 1 32 32 LYS H H 32 8.643 8.643 8.543 0.100 19660 434 1 2 . 1 1 33 33 SER N N 33 113.477 113.477 117.014 -3.537 19660 435 1 2 . 1 1 33 33 SER HA H 33 4.599 4.599 4.765 -0.166 19660 436 1 2 . 1 1 33 33 SER C C 33 174.210 174.210 172.460 1.750 19660 437 1 2 . 1 1 33 33 SER CA C 33 58.123 58.123 58.894 -0.771 19660 438 1 2 . 1 1 33 33 SER CB C 33 66.263 66.263 65.627 0.636 19660 439 1 2 . 1 1 33 33 SER H H 33 8.151 8.151 8.157 -0.006 19660 440 1 2 . 1 1 34 34 CYS N N 34 118.998 118.998 122.886 -3.888 19660 441 1 2 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.592 0.702 19660 442 1 2 . 1 1 34 34 CYS C C 34 175.636 175.636 173.236 2.400 19660 443 1 2 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.308 -0.580 19660 444 1 2 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.882 15.632 19660 445 1 2 . 1 1 34 34 CYS H H 34 8.652 8.652 8.567 0.085 19660 446 1 2 . 1 1 35 35 GLY N N 35 112.013 112.013 108.498 3.515 19660 447 1 2 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.970 -0.048 19660 448 1 2 . 1 1 35 35 GLY H H 35 9.451 9.451 8.496 0.955 19660 449 1 2 . 1 1 36 36 ILE N N 36 118.738 118.738 119.756 -1.018 19660 450 1 2 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.679 0.172 19660 451 1 2 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.827 1.050 19660 452 1 2 . 1 1 36 36 ILE H H 36 8.576 8.576 7.994 0.582 19660 453 1 2 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.829 0.118 19660 454 1 2 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.237 0.028 19660 455 1 2 . 1 1 38 38 GLU N N 38 117.838 117.838 116.699 1.139 19660 456 1 2 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.054 -0.000 19660 457 1 2 . 1 1 38 38 GLU C C 38 177.610 177.610 177.223 0.387 19660 458 1 2 . 1 1 38 38 GLU CA C 38 59.831 59.831 58.919 0.912 19660 459 1 2 . 1 1 38 38 GLU H H 38 9.140 9.140 8.615 0.525 19660 460 1 2 . 1 1 39 39 GLU N N 39 117.727 117.727 116.854 0.873 19660 461 1 2 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.346 0.016 19660 462 1 2 . 1 1 39 39 GLU C C 39 177.387 177.387 179.145 -1.758 19660 463 1 2 . 1 1 39 39 GLU CA C 39 57.157 57.157 57.980 -0.823 19660 464 1 2 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.032 -0.224 19660 465 1 2 . 1 1 39 39 GLU H H 39 7.933 7.933 7.864 0.069 19660 466 1 2 . 1 1 40 40 CYS N N 40 117.847 117.847 120.092 -2.245 19660 467 1 2 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.356 0.016 19660 468 1 2 . 1 1 40 40 CYS C C 40 174.430 174.430 177.059 -2.629 19660 469 1 2 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.405 -3.618 19660 470 1 2 . 1 1 40 40 CYS CB C 40 44.304 44.304 26.448 17.856 19660 471 1 2 . 1 1 40 40 CYS H H 40 7.745 7.745 8.782 -1.037 19660 472 1 2 . 1 1 41 41 GLU N N 41 120.521 120.521 119.606 0.915 19660 473 1 2 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.037 0.301 19660 474 1 2 . 1 1 41 41 GLU CA C 41 56.224 56.224 58.483 -2.259 19660 475 1 2 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.361 1.739 19660 476 1 2 . 1 1 41 41 GLU H H 41 7.680 7.680 8.243 -0.563 19660 477 1 2 . 1 1 42 42 ASP N N 42 121.236 121.236 117.881 3.355 19660 478 1 2 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.341 0.251 19660 479 1 2 . 1 1 42 42 ASP CA C 42 54.574 54.574 55.739 -1.165 19660 480 1 2 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.415 0.779 19660 481 1 2 . 1 1 42 42 ASP H H 42 8.254 8.254 7.559 0.695 19660 482 1 2 . 1 1 43 43 ALA N N 43 124.610 124.610 123.667 0.943 19660 483 1 2 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.123 0.357 19660 484 1 2 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.761 -0.775 19660 485 1 2 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.688 1.963 19660 486 1 2 . 1 1 43 43 ALA H H 43 8.104 8.104 7.435 0.669 19660 487 1 2 . 1 1 44 44 GLU N N 44 121.280 121.280 126.080 -4.800 19660 488 1 2 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.225 0.002 19660 489 1 2 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.581 -0.368 19660 490 1 2 . 1 1 44 44 GLU H H 44 8.565 8.565 8.198 0.367 19660 491 1 2 . 1 1 45 45 GLY N N 45 111.878 111.878 109.963 1.915 19660 492 1 2 . 1 1 45 45 GLY CA C 45 45.797 45.797 45.596 0.201 19660 493 1 2 . 1 1 45 45 GLY H H 45 8.749 8.749 8.610 0.139 19660 494 1 2 . 1 1 46 46 ALA N N 46 122.249 122.249 122.012 0.237 19660 495 1 2 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.696 -0.140 19660 496 1 2 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.567 -0.318 19660 497 1 2 . 1 1 46 46 ALA CB C 46 21.348 21.348 21.267 0.081 19660 498 1 2 . 1 1 46 46 ALA H H 46 7.818 7.818 7.483 0.335 19660 499 1 2 . 1 1 47 47 THR N N 47 116.571 116.571 115.160 1.411 19660 500 1 2 . 1 1 47 47 THR HA H 47 4.305 4.305 4.505 -0.200 19660 501 1 2 . 1 1 47 47 THR CA C 47 61.924 61.924 61.099 0.825 19660 502 1 2 . 1 1 47 47 THR H H 47 8.387 8.387 8.148 0.239 19660 503 1 2 . 1 1 48 48 VAL N N 48 127.683 127.683 127.384 0.299 19660 504 1 2 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.410 0.223 19660 505 1 2 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.975 1.360 19660 506 1 2 . 1 1 48 48 VAL H H 48 8.695 8.695 8.441 0.254 19660 507 1 2 . 1 1 49 49 LEU N N 49 129.662 129.662 127.140 2.522 19660 508 1 2 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.709 0.013 19660 509 1 2 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.569 -0.759 19660 510 1 2 . 1 1 49 49 LEU CB C 49 44.590 44.590 43.385 1.205 19660 511 1 2 . 1 1 49 49 LEU H H 49 8.594 8.594 8.162 0.432 19660 512 1 2 . 1 1 50 50 CYS N N 50 123.551 123.551 124.089 -0.538 19660 513 1 2 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.774 0.965 19660 514 1 2 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.717 -3.428 19660 515 1 2 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.335 18.089 19660 516 1 2 . 1 1 50 50 CYS H H 50 8.910 8.910 8.272 0.638 19660 517 1 2 . 1 1 51 51 CYS N N 51 119.604 119.604 125.932 -6.328 19660 518 1 2 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.860 0.509 19660 519 1 2 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.718 -4.119 19660 520 1 2 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.755 17.749 19660 521 1 2 . 1 1 51 51 CYS H H 51 9.281 9.281 9.000 0.281 19660 522 1 2 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.343 0.635 19660 523 1 2 . 1 1 52 52 PRO C C 52 175.082 175.082 176.474 -1.392 19660 524 1 2 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.650 0.784 19660 525 1 2 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.294 0.140 19660 526 1 2 . 1 1 53 53 GLU N N 53 121.348 121.348 118.730 2.618 19660 527 1 2 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.422 0.129 19660 528 1 2 . 1 1 53 53 GLU C C 53 174.317 174.317 175.542 -1.225 19660 529 1 2 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.491 0.214 19660 530 1 2 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.783 1.292 19660 531 1 2 . 1 1 53 53 GLU H H 53 7.232 7.232 7.802 -0.570 19660 532 1 2 . 1 1 54 54 ASP N N 54 118.893 118.893 119.201 -0.308 19660 533 1 2 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.648 0.222 19660 534 1 2 . 1 1 54 54 ASP C C 54 177.950 177.950 176.195 1.755 19660 535 1 2 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.844 1.706 19660 536 1 2 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.922 -0.335 19660 537 1 2 . 1 1 54 54 ASP H H 54 8.230 8.230 8.376 -0.146 19660 538 1 2 . 1 1 55 55 LEU N N 55 113.945 113.945 119.450 -5.505 19660 539 1 2 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.898 -0.208 19660 540 1 2 . 1 1 55 55 LEU C C 55 176.734 176.734 176.584 0.150 19660 541 1 2 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.384 0.262 19660 542 1 2 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.243 -1.549 19660 543 1 2 . 1 1 55 55 LEU H H 55 9.462 9.462 8.948 0.514 19660 544 1 2 . 1 1 56 56 CYS N N 56 112.784 112.784 119.105 -6.321 19660 545 1 2 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.430 0.084 19660 546 1 2 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.070 -1.149 19660 547 1 2 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.873 18.855 19660 548 1 2 . 1 1 56 56 CYS H H 56 7.647 7.647 9.055 -1.408 19660 549 1 3 . 1 1 2 2 GLN N N 2 125.663 125.663 118.730 6.933 19660 550 1 3 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.133 0.265 19660 551 1 3 . 1 1 2 2 GLN C C 2 174.668 174.668 174.747 -0.079 19660 552 1 3 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.914 -1.142 19660 553 1 3 . 1 1 2 2 GLN CB C 2 32.023 32.023 32.987 -0.964 19660 554 1 3 . 1 1 2 2 GLN H H 2 8.383 8.383 8.359 0.024 19660 555 1 3 . 1 1 3 3 CYS N N 3 118.829 118.829 120.430 -1.601 19660 556 1 3 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.088 0.058 19660 557 1 3 . 1 1 3 3 CYS C C 3 174.118 174.118 174.002 0.116 19660 558 1 3 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.885 -5.918 19660 559 1 3 . 1 1 3 3 CYS H H 3 9.023 9.023 9.256 -0.233 19660 560 1 3 . 1 1 4 4 ASN N N 4 119.446 119.446 121.415 -1.969 19660 561 1 3 . 1 1 4 4 ASN HA H 4 5.032 5.032 5.263 -0.231 19660 562 1 3 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.613 0.747 19660 563 1 3 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.049 -0.422 19660 564 1 3 . 1 1 4 4 ASN H H 4 9.225 9.225 8.581 0.644 19660 565 1 3 . 1 1 5 5 THR N N 5 109.185 109.185 109.637 -0.452 19660 566 1 3 . 1 1 5 5 THR HA H 5 4.934 4.934 4.870 0.064 19660 567 1 3 . 1 1 5 5 THR C C 5 176.984 176.984 176.139 0.845 19660 568 1 3 . 1 1 5 5 THR CA C 5 60.188 60.188 59.555 0.633 19660 569 1 3 . 1 1 5 5 THR CB C 5 70.286 70.286 72.672 -2.386 19660 570 1 3 . 1 1 5 5 THR H H 5 7.823 7.823 8.168 -0.345 19660 571 1 3 . 1 1 6 6 LEU N N 6 123.023 123.023 120.349 2.674 19660 572 1 3 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.313 -0.340 19660 573 1 3 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.253 0.371 19660 574 1 3 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.796 1.096 19660 575 1 3 . 1 1 6 6 LEU H H 6 8.958 8.958 8.703 0.255 19660 576 1 3 . 1 1 7 7 ASP N N 7 115.117 115.117 118.442 -3.325 19660 577 1 3 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.569 -0.035 19660 578 1 3 . 1 1 7 7 ASP C C 7 176.415 176.415 177.058 -0.643 19660 579 1 3 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.612 -0.872 19660 580 1 3 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.974 -0.819 19660 581 1 3 . 1 1 7 7 ASP H H 7 8.258 8.258 7.911 0.347 19660 582 1 3 . 1 1 8 8 GLY N N 8 106.811 106.811 105.898 0.913 19660 583 1 3 . 1 1 8 8 GLY C C 8 174.831 174.831 174.909 -0.078 19660 584 1 3 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.002 0.407 19660 585 1 3 . 1 1 8 8 GLY H H 8 7.669 7.669 7.788 -0.119 19660 586 1 3 . 1 1 9 9 GLY N N 9 109.185 109.185 108.934 0.251 19660 587 1 3 . 1 1 9 9 GLY C C 9 173.522 173.522 172.852 0.670 19660 588 1 3 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.210 -0.132 19660 589 1 3 . 1 1 9 9 GLY H H 9 7.501 7.501 7.693 -0.192 19660 590 1 3 . 1 1 10 10 THR N N 10 109.837 109.837 111.558 -1.721 19660 591 1 3 . 1 1 10 10 THR HA H 10 5.220 5.220 4.914 0.306 19660 592 1 3 . 1 1 10 10 THR CA C 10 60.357 60.357 60.607 -0.250 19660 593 1 3 . 1 1 10 10 THR CB C 10 72.680 72.680 71.155 1.525 19660 594 1 3 . 1 1 10 10 THR H H 10 8.115 8.115 7.998 0.117 19660 595 1 3 . 1 1 11 11 GLU N N 11 121.356 121.356 122.553 -1.197 19660 596 1 3 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.750 -0.124 19660 597 1 3 . 1 1 11 11 GLU C C 11 174.150 174.150 175.474 -1.324 19660 598 1 3 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.230 0.439 19660 599 1 3 . 1 1 11 11 GLU CB C 11 33.344 33.344 32.964 0.380 19660 600 1 3 . 1 1 11 11 GLU H H 11 9.133 9.133 9.133 -0.000 19660 601 1 3 . 1 1 12 12 GLU N N 12 125.546 125.546 122.499 3.047 19660 602 1 3 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.563 -0.097 19660 603 1 3 . 1 1 12 12 GLU C C 12 176.388 176.388 175.899 0.489 19660 604 1 3 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.854 -0.247 19660 605 1 3 . 1 1 12 12 GLU CB C 12 29.840 29.840 30.077 -0.237 19660 606 1 3 . 1 1 12 12 GLU H H 12 8.710 8.710 8.654 0.056 19660 607 1 3 . 1 1 13 13 CYS N N 13 125.853 125.853 124.882 0.971 19660 608 1 3 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.739 0.178 19660 609 1 3 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.971 -6.345 19660 610 1 3 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.524 10.760 19660 611 1 3 . 1 1 13 13 CYS H H 13 8.840 8.840 8.414 0.426 19660 612 1 3 . 1 1 14 14 ILE N N 14 127.700 127.700 123.471 4.229 19660 613 1 3 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.503 -0.210 19660 614 1 3 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.642 1.744 19660 615 1 3 . 1 1 14 14 ILE H H 14 8.387 8.387 8.326 0.061 19660 616 1 3 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.369 0.060 19660 617 1 3 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.435 0.352 19660 618 1 3 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.323 2.083 19660 619 1 3 . 1 1 16 16 GLY N N 16 111.774 111.774 111.324 0.450 19660 620 1 3 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.358 0.675 19660 621 1 3 . 1 1 16 16 GLY H H 16 8.752 8.752 7.984 0.768 19660 622 1 3 . 1 1 17 17 ILE N N 17 118.758 118.758 120.937 -2.179 19660 623 1 3 . 1 1 17 17 ILE HA H 17 3.970 3.970 3.823 0.147 19660 624 1 3 . 1 1 17 17 ILE CA C 17 62.088 62.088 62.634 -0.546 19660 625 1 3 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.017 1.274 19660 626 1 3 . 1 1 17 17 ILE H H 17 7.527 7.527 7.635 -0.108 19660 627 1 3 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.867 -0.167 19660 628 1 3 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.018 1.355 19660 629 1 3 . 1 1 18 18 TYR CB C 18 39.765 39.765 38.815 0.950 19660 630 1 3 . 1 1 19 19 ASN N N 19 118.488 118.488 121.514 -3.026 19660 631 1 3 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.897 -0.149 19660 632 1 3 . 1 1 19 19 ASN C C 19 174.728 174.728 174.770 -0.042 19660 633 1 3 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.382 -0.586 19660 634 1 3 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.317 -1.928 19660 635 1 3 . 1 1 19 19 ASN H H 19 8.512 8.512 9.124 -0.612 19660 636 1 3 . 1 1 20 20 VAL N N 20 114.324 114.324 114.856 -0.532 19660 637 1 3 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.686 0.001 19660 638 1 3 . 1 1 20 20 VAL C C 20 173.641 173.641 174.033 -0.392 19660 639 1 3 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.503 -0.381 19660 640 1 3 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.013 1.928 19660 641 1 3 . 1 1 20 20 VAL H H 20 8.064 8.064 8.132 -0.068 19660 642 1 3 . 1 1 21 21 CYS N N 21 117.375 117.375 116.083 1.292 19660 643 1 3 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.805 0.726 19660 644 1 3 . 1 1 21 21 CYS C C 21 169.343 169.343 172.766 -3.423 19660 645 1 3 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.897 -5.397 19660 646 1 3 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.393 9.027 19660 647 1 3 . 1 1 21 21 CYS H H 21 9.308 9.308 8.185 1.123 19660 648 1 3 . 1 1 22 22 VAL N N 22 118.966 118.966 120.469 -1.503 19660 649 1 3 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.502 0.977 19660 650 1 3 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.281 -0.677 19660 651 1 3 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.723 0.514 19660 652 1 3 . 1 1 22 22 VAL H H 22 9.168 9.168 8.340 0.828 19660 653 1 3 . 1 1 23 23 HIS N N 23 127.041 127.041 126.266 0.775 19660 654 1 3 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.775 0.740 19660 655 1 3 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.384 -0.146 19660 656 1 3 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.797 2.604 19660 657 1 3 . 1 1 23 23 HIS H H 23 9.214 9.214 8.481 0.733 19660 658 1 3 . 1 1 24 24 TYR N N 24 132.376 132.376 129.731 2.645 19660 659 1 3 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.407 0.216 19660 660 1 3 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.038 -0.388 19660 661 1 3 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.299 1.749 19660 662 1 3 . 1 1 24 24 TYR H H 24 8.967 8.967 8.858 0.109 19660 663 1 3 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.426 0.403 19660 664 1 3 . 1 1 25 25 LYS C C 25 173.479 173.479 174.786 -1.307 19660 665 1 3 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.156 1.092 19660 666 1 3 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.266 2.003 19660 667 1 3 . 1 1 25 25 LYS H H 25 8.028 8.028 8.136 -0.108 19660 668 1 3 . 1 1 26 26 SER N N 26 125.633 125.633 120.867 4.766 19660 669 1 3 . 1 1 26 26 SER HA H 26 4.959 4.959 4.719 0.240 19660 670 1 3 . 1 1 26 26 SER C C 26 174.081 174.081 173.779 0.302 19660 671 1 3 . 1 1 26 26 SER CA C 26 56.012 56.012 57.259 -1.247 19660 672 1 3 . 1 1 26 26 SER CB C 26 66.581 66.581 66.140 0.441 19660 673 1 3 . 1 1 26 26 SER H H 26 9.314 9.314 8.602 0.712 19660 674 1 3 . 1 1 27 27 GLU N N 27 118.790 118.790 121.126 -2.336 19660 675 1 3 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.183 -0.107 19660 676 1 3 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.808 1.341 19660 677 1 3 . 1 1 27 27 GLU CB C 27 29.512 29.512 30.018 -0.506 19660 678 1 3 . 1 1 27 27 GLU H H 27 8.848 8.848 8.698 0.150 19660 679 1 3 . 1 1 28 28 ASP N N 28 114.555 114.555 118.974 -4.419 19660 680 1 3 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.676 0.142 19660 681 1 3 . 1 1 28 28 ASP C C 28 175.500 175.500 175.497 0.003 19660 682 1 3 . 1 1 28 28 ASP CA C 28 54.565 54.565 55.043 -0.478 19660 683 1 3 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.683 1.599 19660 684 1 3 . 1 1 28 28 ASP H H 28 8.145 8.145 8.206 -0.061 19660 685 1 3 . 1 1 29 29 GLU N N 29 119.483 119.483 117.896 1.587 19660 686 1 3 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.592 0.193 19660 687 1 3 . 1 1 29 29 GLU C C 29 173.282 173.282 173.953 -0.671 19660 688 1 3 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.532 0.139 19660 689 1 3 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.523 1.347 19660 690 1 3 . 1 1 29 29 GLU H H 29 7.774 7.774 7.972 -0.198 19660 691 1 3 . 1 1 30 30 GLU N N 30 122.376 122.376 121.470 0.906 19660 692 1 3 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.898 0.585 19660 693 1 3 . 1 1 30 30 GLU C C 30 174.486 174.486 174.659 -0.173 19660 694 1 3 . 1 1 30 30 GLU CA C 30 55.052 55.052 55.956 -0.904 19660 695 1 3 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.243 0.610 19660 696 1 3 . 1 1 30 30 GLU H H 30 8.419 8.419 8.620 -0.201 19660 697 1 3 . 1 1 31 31 TYR N N 31 119.914 119.914 121.897 -1.983 19660 698 1 3 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.987 0.003 19660 699 1 3 . 1 1 31 31 TYR C C 31 173.240 173.240 173.006 0.234 19660 700 1 3 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.389 0.969 19660 701 1 3 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.312 -0.553 19660 702 1 3 . 1 1 31 31 TYR H H 31 9.089 9.089 8.704 0.385 19660 703 1 3 . 1 1 32 32 LYS N N 32 121.363 121.363 120.254 1.109 19660 704 1 3 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.859 0.597 19660 705 1 3 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.208 -0.274 19660 706 1 3 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.851 1.491 19660 707 1 3 . 1 1 32 32 LYS H H 32 8.643 8.643 8.536 0.107 19660 708 1 3 . 1 1 33 33 SER N N 33 113.477 113.477 117.591 -4.114 19660 709 1 3 . 1 1 33 33 SER HA H 33 4.599 4.599 4.730 -0.131 19660 710 1 3 . 1 1 33 33 SER C C 33 174.210 174.210 172.504 1.706 19660 711 1 3 . 1 1 33 33 SER CA C 33 58.123 58.123 58.736 -0.613 19660 712 1 3 . 1 1 33 33 SER CB C 33 66.263 66.263 65.504 0.759 19660 713 1 3 . 1 1 33 33 SER H H 33 8.151 8.151 8.139 0.012 19660 714 1 3 . 1 1 34 34 CYS N N 34 118.998 118.998 122.270 -3.272 19660 715 1 3 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.589 0.705 19660 716 1 3 . 1 1 34 34 CYS C C 34 175.636 175.636 173.220 2.416 19660 717 1 3 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.296 -0.568 19660 718 1 3 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.056 15.458 19660 719 1 3 . 1 1 34 34 CYS H H 34 8.652 8.652 8.614 0.038 19660 720 1 3 . 1 1 35 35 GLY N N 35 112.013 112.013 108.479 3.534 19660 721 1 3 . 1 1 35 35 GLY CA C 35 45.922 45.922 46.289 -0.367 19660 722 1 3 . 1 1 35 35 GLY H H 35 9.451 9.451 8.542 0.909 19660 723 1 3 . 1 1 36 36 ILE N N 36 118.738 118.738 119.080 -0.342 19660 724 1 3 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.739 0.112 19660 725 1 3 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.976 0.901 19660 726 1 3 . 1 1 36 36 ILE H H 36 8.576 8.576 7.728 0.848 19660 727 1 3 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.855 0.092 19660 728 1 3 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.037 0.228 19660 729 1 3 . 1 1 38 38 GLU N N 38 117.838 117.838 116.801 1.037 19660 730 1 3 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.107 -0.053 19660 731 1 3 . 1 1 38 38 GLU C C 38 177.610 177.610 178.076 -0.466 19660 732 1 3 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.262 0.569 19660 733 1 3 . 1 1 38 38 GLU H H 38 9.140 9.140 8.846 0.294 19660 734 1 3 . 1 1 39 39 GLU N N 39 117.727 117.727 118.699 -0.972 19660 735 1 3 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.349 0.013 19660 736 1 3 . 1 1 39 39 GLU C C 39 177.387 177.387 179.277 -1.890 19660 737 1 3 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.235 -1.078 19660 738 1 3 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.371 -0.563 19660 739 1 3 . 1 1 39 39 GLU H H 39 7.933 7.933 7.913 0.020 19660 740 1 3 . 1 1 40 40 CYS N N 40 117.847 117.847 120.223 -2.376 19660 741 1 3 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.195 0.177 19660 742 1 3 . 1 1 40 40 CYS C C 40 174.430 174.430 176.781 -2.351 19660 743 1 3 . 1 1 40 40 CYS CA C 40 58.787 58.787 63.312 -4.525 19660 744 1 3 . 1 1 40 40 CYS CB C 40 44.304 44.304 25.888 18.416 19660 745 1 3 . 1 1 40 40 CYS H H 40 7.745 7.745 8.788 -1.043 19660 746 1 3 . 1 1 41 41 GLU N N 41 120.521 120.521 119.992 0.529 19660 747 1 3 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.028 0.310 19660 748 1 3 . 1 1 41 41 GLU CA C 41 56.224 56.224 58.942 -2.718 19660 749 1 3 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.148 1.952 19660 750 1 3 . 1 1 41 41 GLU H H 41 7.680 7.680 8.263 -0.583 19660 751 1 3 . 1 1 42 42 ASP N N 42 121.236 121.236 119.939 1.297 19660 752 1 3 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.378 0.214 19660 753 1 3 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.104 -1.530 19660 754 1 3 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.863 0.331 19660 755 1 3 . 1 1 42 42 ASP H H 42 8.254 8.254 7.623 0.631 19660 756 1 3 . 1 1 43 43 ALA N N 43 124.610 124.610 122.917 1.693 19660 757 1 3 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.304 0.176 19660 758 1 3 . 1 1 43 43 ALA CA C 43 51.986 51.986 51.912 0.074 19660 759 1 3 . 1 1 43 43 ALA CB C 43 20.651 20.651 17.982 2.669 19660 760 1 3 . 1 1 43 43 ALA H H 43 8.104 8.104 7.467 0.637 19660 761 1 3 . 1 1 44 44 GLU N N 44 121.280 121.280 123.690 -2.410 19660 762 1 3 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.265 -0.038 19660 763 1 3 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.302 -0.089 19660 764 1 3 . 1 1 44 44 GLU H H 44 8.565 8.565 7.819 0.746 19660 765 1 3 . 1 1 45 45 GLY N N 45 111.878 111.878 114.032 -2.154 19660 766 1 3 . 1 1 45 45 GLY CA C 45 45.797 45.797 45.035 0.762 19660 767 1 3 . 1 1 45 45 GLY H H 45 8.749 8.749 8.871 -0.122 19660 768 1 3 . 1 1 46 46 ALA N N 46 122.249 122.249 125.359 -3.110 19660 769 1 3 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.594 -0.038 19660 770 1 3 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.676 -0.427 19660 771 1 3 . 1 1 46 46 ALA CB C 46 21.348 21.348 19.891 1.457 19660 772 1 3 . 1 1 46 46 ALA H H 46 7.818 7.818 7.766 0.052 19660 773 1 3 . 1 1 47 47 THR N N 47 116.571 116.571 115.962 0.609 19660 774 1 3 . 1 1 47 47 THR HA H 47 4.305 4.305 4.475 -0.170 19660 775 1 3 . 1 1 47 47 THR CA C 47 61.924 61.924 61.715 0.209 19660 776 1 3 . 1 1 47 47 THR H H 47 8.387 8.387 8.140 0.247 19660 777 1 3 . 1 1 48 48 VAL N N 48 127.683 127.683 125.355 2.328 19660 778 1 3 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.322 0.311 19660 779 1 3 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.557 1.778 19660 780 1 3 . 1 1 48 48 VAL H H 48 8.695 8.695 8.390 0.305 19660 781 1 3 . 1 1 49 49 LEU N N 49 129.662 129.662 128.276 1.386 19660 782 1 3 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.669 0.053 19660 783 1 3 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.589 -0.779 19660 784 1 3 . 1 1 49 49 LEU CB C 49 44.590 44.590 43.821 0.769 19660 785 1 3 . 1 1 49 49 LEU H H 49 8.594 8.594 8.213 0.381 19660 786 1 3 . 1 1 50 50 CYS N N 50 123.551 123.551 123.447 0.104 19660 787 1 3 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.775 0.964 19660 788 1 3 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.606 -3.317 19660 789 1 3 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.518 17.905 19660 790 1 3 . 1 1 50 50 CYS H H 50 8.910 8.910 8.272 0.638 19660 791 1 3 . 1 1 51 51 CYS N N 51 119.604 119.604 125.812 -6.208 19660 792 1 3 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.857 0.512 19660 793 1 3 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.726 -4.127 19660 794 1 3 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.820 17.683 19660 795 1 3 . 1 1 51 51 CYS H H 51 9.281 9.281 9.006 0.275 19660 796 1 3 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.293 0.685 19660 797 1 3 . 1 1 52 52 PRO C C 52 175.082 175.082 176.531 -1.449 19660 798 1 3 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.750 0.684 19660 799 1 3 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.237 0.197 19660 800 1 3 . 1 1 53 53 GLU N N 53 121.348 121.348 118.980 2.368 19660 801 1 3 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.488 0.063 19660 802 1 3 . 1 1 53 53 GLU C C 53 174.317 174.317 174.758 -0.441 19660 803 1 3 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.195 0.510 19660 804 1 3 . 1 1 53 53 GLU CB C 53 32.075 32.075 31.545 0.530 19660 805 1 3 . 1 1 53 53 GLU H H 53 7.232 7.232 7.857 -0.625 19660 806 1 3 . 1 1 54 54 ASP N N 54 118.893 118.893 117.697 1.196 19660 807 1 3 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.549 0.321 19660 808 1 3 . 1 1 54 54 ASP C C 54 177.950 177.950 176.355 1.595 19660 809 1 3 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.356 2.194 19660 810 1 3 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.642 -0.055 19660 811 1 3 . 1 1 54 54 ASP H H 54 8.230 8.230 8.385 -0.155 19660 812 1 3 . 1 1 55 55 LEU N N 55 113.945 113.945 118.432 -4.487 19660 813 1 3 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.828 -0.138 19660 814 1 3 . 1 1 55 55 LEU C C 55 176.734 176.734 176.587 0.147 19660 815 1 3 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.314 0.332 19660 816 1 3 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.516 -1.822 19660 817 1 3 . 1 1 55 55 LEU H H 55 9.462 9.462 8.768 0.694 19660 818 1 3 . 1 1 56 56 CYS N N 56 112.784 112.784 119.174 -6.390 19660 819 1 3 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.437 0.077 19660 820 1 3 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.051 -1.130 19660 821 1 3 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.829 18.899 19660 822 1 3 . 1 1 56 56 CYS H H 56 7.647 7.647 9.075 -1.428 19660 823 1 4 . 1 1 2 2 GLN N N 2 125.663 125.663 120.499 5.164 19660 824 1 4 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.051 0.347 19660 825 1 4 . 1 1 2 2 GLN C C 2 174.668 174.668 174.779 -0.111 19660 826 1 4 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.988 -1.216 19660 827 1 4 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.106 -1.083 19660 828 1 4 . 1 1 2 2 GLN H H 2 8.383 8.383 8.472 -0.089 19660 829 1 4 . 1 1 3 3 CYS N N 3 118.829 118.829 120.348 -1.519 19660 830 1 4 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.108 0.038 19660 831 1 4 . 1 1 3 3 CYS C C 3 174.118 174.118 173.992 0.126 19660 832 1 4 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.758 -5.791 19660 833 1 4 . 1 1 3 3 CYS H H 3 9.023 9.023 9.276 -0.253 19660 834 1 4 . 1 1 4 4 ASN N N 4 119.446 119.446 120.040 -0.594 19660 835 1 4 . 1 1 4 4 ASN HA H 4 5.032 5.032 5.006 0.026 19660 836 1 4 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.685 0.675 19660 837 1 4 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.009 -0.382 19660 838 1 4 . 1 1 4 4 ASN H H 4 9.225 9.225 8.521 0.704 19660 839 1 4 . 1 1 5 5 THR N N 5 109.185 109.185 109.635 -0.450 19660 840 1 4 . 1 1 5 5 THR HA H 5 4.934 4.934 4.793 0.141 19660 841 1 4 . 1 1 5 5 THR C C 5 176.984 176.984 176.325 0.659 19660 842 1 4 . 1 1 5 5 THR CA C 5 60.188 60.188 59.938 0.250 19660 843 1 4 . 1 1 5 5 THR CB C 5 70.286 70.286 72.620 -2.333 19660 844 1 4 . 1 1 5 5 THR H H 5 7.823 7.823 8.252 -0.429 19660 845 1 4 . 1 1 6 6 LEU N N 6 123.023 123.023 120.458 2.565 19660 846 1 4 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.263 -0.290 19660 847 1 4 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.189 0.435 19660 848 1 4 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.823 1.069 19660 849 1 4 . 1 1 6 6 LEU H H 6 8.958 8.958 8.788 0.170 19660 850 1 4 . 1 1 7 7 ASP N N 7 115.117 115.117 118.594 -3.477 19660 851 1 4 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.568 -0.034 19660 852 1 4 . 1 1 7 7 ASP C C 7 176.415 176.415 176.992 -0.577 19660 853 1 4 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.449 -0.709 19660 854 1 4 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.898 -0.744 19660 855 1 4 . 1 1 7 7 ASP H H 7 8.258 8.258 7.782 0.476 19660 856 1 4 . 1 1 8 8 GLY N N 8 106.811 106.811 105.860 0.951 19660 857 1 4 . 1 1 8 8 GLY C C 8 174.831 174.831 174.823 0.008 19660 858 1 4 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.017 0.392 19660 859 1 4 . 1 1 8 8 GLY H H 8 7.669 7.669 7.931 -0.262 19660 860 1 4 . 1 1 9 9 GLY N N 9 109.185 109.185 108.928 0.257 19660 861 1 4 . 1 1 9 9 GLY C C 9 173.522 173.522 173.180 0.342 19660 862 1 4 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.165 -0.087 19660 863 1 4 . 1 1 9 9 GLY H H 9 7.501 7.501 7.714 -0.213 19660 864 1 4 . 1 1 10 10 THR N N 10 109.837 109.837 111.653 -1.816 19660 865 1 4 . 1 1 10 10 THR HA H 10 5.220 5.220 4.664 0.556 19660 866 1 4 . 1 1 10 10 THR CA C 10 60.357 60.357 60.804 -0.447 19660 867 1 4 . 1 1 10 10 THR CB C 10 72.680 72.680 71.007 1.673 19660 868 1 4 . 1 1 10 10 THR H H 10 8.115 8.115 8.042 0.073 19660 869 1 4 . 1 1 11 11 GLU N N 11 121.356 121.356 122.655 -1.299 19660 870 1 4 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.794 -0.168 19660 871 1 4 . 1 1 11 11 GLU C C 11 174.150 174.150 175.225 -1.075 19660 872 1 4 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.376 0.293 19660 873 1 4 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.282 0.062 19660 874 1 4 . 1 1 11 11 GLU H H 11 9.133 9.133 9.269 -0.136 19660 875 1 4 . 1 1 12 12 GLU N N 12 125.546 125.546 120.932 4.614 19660 876 1 4 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.534 -0.068 19660 877 1 4 . 1 1 12 12 GLU C C 12 176.388 176.388 176.123 0.265 19660 878 1 4 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.586 0.021 19660 879 1 4 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.417 0.423 19660 880 1 4 . 1 1 12 12 GLU H H 12 8.710 8.710 8.533 0.177 19660 881 1 4 . 1 1 13 13 CYS N N 13 125.853 125.853 125.148 0.705 19660 882 1 4 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.747 0.170 19660 883 1 4 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.857 -6.231 19660 884 1 4 . 1 1 13 13 CYS CB C 13 37.284 37.284 27.241 10.043 19660 885 1 4 . 1 1 13 13 CYS H H 13 8.840 8.840 8.516 0.324 19660 886 1 4 . 1 1 14 14 ILE N N 14 127.700 127.700 126.785 0.915 19660 887 1 4 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.280 0.012 19660 888 1 4 . 1 1 14 14 ILE CA C 14 60.386 60.386 59.627 0.760 19660 889 1 4 . 1 1 14 14 ILE H H 14 8.387 8.387 8.751 -0.364 19660 890 1 4 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.337 0.092 19660 891 1 4 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.416 0.371 19660 892 1 4 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.262 2.144 19660 893 1 4 . 1 1 16 16 GLY N N 16 111.774 111.774 110.417 1.357 19660 894 1 4 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.331 0.703 19660 895 1 4 . 1 1 16 16 GLY H H 16 8.752 8.752 8.165 0.587 19660 896 1 4 . 1 1 17 17 ILE N N 17 118.758 118.758 120.581 -1.823 19660 897 1 4 . 1 1 17 17 ILE HA H 17 3.970 3.970 3.839 0.131 19660 898 1 4 . 1 1 17 17 ILE CA C 17 62.088 62.088 62.376 -0.287 19660 899 1 4 . 1 1 17 17 ILE CB C 17 39.291 39.291 37.977 1.314 19660 900 1 4 . 1 1 17 17 ILE H H 17 7.527 7.527 7.569 -0.042 19660 901 1 4 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.889 -0.189 19660 902 1 4 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.072 1.301 19660 903 1 4 . 1 1 18 18 TYR CB C 18 39.765 39.765 38.895 0.870 19660 904 1 4 . 1 1 19 19 ASN N N 19 118.488 118.488 121.712 -3.224 19660 905 1 4 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.878 -0.130 19660 906 1 4 . 1 1 19 19 ASN C C 19 174.728 174.728 174.774 -0.046 19660 907 1 4 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.453 -0.657 19660 908 1 4 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.083 -1.694 19660 909 1 4 . 1 1 19 19 ASN H H 19 8.512 8.512 9.051 -0.539 19660 910 1 4 . 1 1 20 20 VAL N N 20 114.324 114.324 116.048 -1.724 19660 911 1 4 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.561 0.126 19660 912 1 4 . 1 1 20 20 VAL C C 20 173.641 173.641 173.970 -0.329 19660 913 1 4 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.164 -0.042 19660 914 1 4 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.190 1.751 19660 915 1 4 . 1 1 20 20 VAL H H 20 8.064 8.064 8.011 0.053 19660 916 1 4 . 1 1 21 21 CYS N N 21 117.375 117.375 116.529 0.846 19660 917 1 4 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.814 0.717 19660 918 1 4 . 1 1 21 21 CYS C C 21 169.343 169.343 172.703 -3.360 19660 919 1 4 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.874 -5.374 19660 920 1 4 . 1 1 21 21 CYS CB C 21 38.420 38.420 30.091 8.329 19660 921 1 4 . 1 1 21 21 CYS H H 21 9.308 9.308 8.208 1.100 19660 922 1 4 . 1 1 22 22 VAL N N 22 118.966 118.966 121.231 -2.265 19660 923 1 4 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.472 1.007 19660 924 1 4 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.427 -0.823 19660 925 1 4 . 1 1 22 22 VAL CB C 22 36.237 36.237 34.765 1.472 19660 926 1 4 . 1 1 22 22 VAL H H 22 9.168 9.168 8.019 1.149 19660 927 1 4 . 1 1 23 23 HIS N N 23 127.041 127.041 126.373 0.668 19660 928 1 4 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.755 0.760 19660 929 1 4 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.454 -0.216 19660 930 1 4 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.517 2.885 19660 931 1 4 . 1 1 23 23 HIS H H 23 9.214 9.214 8.571 0.643 19660 932 1 4 . 1 1 24 24 TYR N N 24 132.376 132.376 129.599 2.777 19660 933 1 4 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.578 0.045 19660 934 1 4 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.216 -0.566 19660 935 1 4 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.605 1.443 19660 936 1 4 . 1 1 24 24 TYR H H 24 8.967 8.967 8.772 0.195 19660 937 1 4 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.471 0.358 19660 938 1 4 . 1 1 25 25 LYS C C 25 173.479 173.479 174.819 -1.340 19660 939 1 4 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.423 0.825 19660 940 1 4 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.352 1.917 19660 941 1 4 . 1 1 25 25 LYS H H 25 8.028 8.028 8.286 -0.258 19660 942 1 4 . 1 1 26 26 SER N N 26 125.633 125.633 121.619 4.014 19660 943 1 4 . 1 1 26 26 SER HA H 26 4.959 4.959 4.699 0.260 19660 944 1 4 . 1 1 26 26 SER C C 26 174.081 174.081 173.615 0.466 19660 945 1 4 . 1 1 26 26 SER CA C 26 56.012 56.012 57.415 -1.403 19660 946 1 4 . 1 1 26 26 SER CB C 26 66.581 66.581 66.248 0.333 19660 947 1 4 . 1 1 26 26 SER H H 26 9.314 9.314 8.725 0.589 19660 948 1 4 . 1 1 27 27 GLU N N 27 118.790 118.790 121.067 -2.277 19660 949 1 4 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.181 -0.105 19660 950 1 4 . 1 1 27 27 GLU CA C 27 59.149 59.149 58.165 0.984 19660 951 1 4 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.789 -0.277 19660 952 1 4 . 1 1 27 27 GLU H H 27 8.848 8.848 8.671 0.177 19660 953 1 4 . 1 1 28 28 ASP N N 28 114.555 114.555 119.661 -5.106 19660 954 1 4 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.683 0.135 19660 955 1 4 . 1 1 28 28 ASP C C 28 175.500 175.500 175.349 0.151 19660 956 1 4 . 1 1 28 28 ASP CA C 28 54.565 54.565 55.006 -0.441 19660 957 1 4 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.490 1.792 19660 958 1 4 . 1 1 28 28 ASP H H 28 8.145 8.145 8.285 -0.140 19660 959 1 4 . 1 1 29 29 GLU N N 29 119.483 119.483 117.068 2.415 19660 960 1 4 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.596 0.189 19660 961 1 4 . 1 1 29 29 GLU C C 29 173.282 173.282 174.155 -0.873 19660 962 1 4 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.455 0.216 19660 963 1 4 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.937 0.933 19660 964 1 4 . 1 1 29 29 GLU H H 29 7.774 7.774 7.876 -0.102 19660 965 1 4 . 1 1 30 30 GLU N N 30 122.376 122.376 121.326 1.050 19660 966 1 4 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.881 0.602 19660 967 1 4 . 1 1 30 30 GLU C C 30 174.486 174.486 174.696 -0.210 19660 968 1 4 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.015 -0.963 19660 969 1 4 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.159 0.694 19660 970 1 4 . 1 1 30 30 GLU H H 30 8.419 8.419 8.608 -0.189 19660 971 1 4 . 1 1 31 31 TYR N N 31 119.914 119.914 121.895 -1.981 19660 972 1 4 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.963 0.027 19660 973 1 4 . 1 1 31 31 TYR C C 31 173.240 173.240 172.977 0.263 19660 974 1 4 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.292 1.066 19660 975 1 4 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.282 -0.523 19660 976 1 4 . 1 1 31 31 TYR H H 31 9.089 9.089 8.624 0.465 19660 977 1 4 . 1 1 32 32 LYS N N 32 121.363 121.363 120.148 1.215 19660 978 1 4 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.817 0.639 19660 979 1 4 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.193 -0.259 19660 980 1 4 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.822 1.520 19660 981 1 4 . 1 1 32 32 LYS H H 32 8.643 8.643 8.488 0.155 19660 982 1 4 . 1 1 33 33 SER N N 33 113.477 113.477 117.434 -3.957 19660 983 1 4 . 1 1 33 33 SER HA H 33 4.599 4.599 4.700 -0.101 19660 984 1 4 . 1 1 33 33 SER C C 33 174.210 174.210 172.476 1.734 19660 985 1 4 . 1 1 33 33 SER CA C 33 58.123 58.123 58.476 -0.353 19660 986 1 4 . 1 1 33 33 SER CB C 33 66.263 66.263 65.356 0.907 19660 987 1 4 . 1 1 33 33 SER H H 33 8.151 8.151 8.176 -0.025 19660 988 1 4 . 1 1 34 34 CYS N N 34 118.998 118.998 121.876 -2.878 19660 989 1 4 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.640 0.654 19660 990 1 4 . 1 1 34 34 CYS C C 34 175.636 175.636 173.357 2.279 19660 991 1 4 . 1 1 34 34 CYS CA C 34 58.728 58.728 58.808 -0.080 19660 992 1 4 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.164 15.350 19660 993 1 4 . 1 1 34 34 CYS H H 34 8.652 8.652 8.569 0.083 19660 994 1 4 . 1 1 35 35 GLY N N 35 112.013 112.013 107.633 4.380 19660 995 1 4 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.921 0.001 19660 996 1 4 . 1 1 35 35 GLY H H 35 9.451 9.451 8.358 1.093 19660 997 1 4 . 1 1 36 36 ILE N N 36 118.738 118.738 120.285 -1.547 19660 998 1 4 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.626 0.225 19660 999 1 4 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.902 0.975 19660 1000 1 4 . 1 1 36 36 ILE H H 36 8.576 8.576 7.986 0.590 19660 1001 1 4 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.835 0.112 19660 1002 1 4 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.113 0.152 19660 1003 1 4 . 1 1 38 38 GLU N N 38 117.838 117.838 117.072 0.766 19660 1004 1 4 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.075 -0.021 19660 1005 1 4 . 1 1 38 38 GLU C C 38 177.610 177.610 177.849 -0.239 19660 1006 1 4 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.096 0.735 19660 1007 1 4 . 1 1 38 38 GLU H H 38 9.140 9.140 8.707 0.433 19660 1008 1 4 . 1 1 39 39 GLU N N 39 117.727 117.727 117.979 -0.252 19660 1009 1 4 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.370 -0.008 19660 1010 1 4 . 1 1 39 39 GLU C C 39 177.387 177.387 178.993 -1.606 19660 1011 1 4 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.152 -0.995 19660 1012 1 4 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.163 -0.355 19660 1013 1 4 . 1 1 39 39 GLU H H 39 7.933 7.933 7.890 0.043 19660 1014 1 4 . 1 1 40 40 CYS N N 40 117.847 117.847 120.561 -2.714 19660 1015 1 4 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.197 0.175 19660 1016 1 4 . 1 1 40 40 CYS C C 40 174.430 174.430 176.720 -2.290 19660 1017 1 4 . 1 1 40 40 CYS CA C 40 58.787 58.787 63.196 -4.409 19660 1018 1 4 . 1 1 40 40 CYS CB C 40 44.304 44.304 25.912 18.392 19660 1019 1 4 . 1 1 40 40 CYS H H 40 7.745 7.745 8.889 -1.144 19660 1020 1 4 . 1 1 41 41 GLU N N 41 120.521 120.521 120.266 0.255 19660 1021 1 4 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.022 0.316 19660 1022 1 4 . 1 1 41 41 GLU CA C 41 56.224 56.224 59.021 -2.797 19660 1023 1 4 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.132 1.968 19660 1024 1 4 . 1 1 41 41 GLU H H 41 7.680 7.680 8.298 -0.618 19660 1025 1 4 . 1 1 42 42 ASP N N 42 121.236 121.236 119.813 1.423 19660 1026 1 4 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.345 0.247 19660 1027 1 4 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.400 -1.826 19660 1028 1 4 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.909 0.285 19660 1029 1 4 . 1 1 42 42 ASP H H 42 8.254 8.254 7.638 0.616 19660 1030 1 4 . 1 1 43 43 ALA N N 43 124.610 124.610 122.327 2.283 19660 1031 1 4 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.327 0.153 19660 1032 1 4 . 1 1 43 43 ALA CA C 43 51.986 51.986 51.977 0.009 19660 1033 1 4 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.020 2.631 19660 1034 1 4 . 1 1 43 43 ALA H H 43 8.104 8.104 7.459 0.645 19660 1035 1 4 . 1 1 44 44 GLU N N 44 121.280 121.280 124.419 -3.139 19660 1036 1 4 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.175 0.052 19660 1037 1 4 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.487 -0.274 19660 1038 1 4 . 1 1 44 44 GLU H H 44 8.565 8.565 7.909 0.656 19660 1039 1 4 . 1 1 45 45 GLY N N 45 111.878 111.878 112.646 -0.768 19660 1040 1 4 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.668 1.129 19660 1041 1 4 . 1 1 45 45 GLY H H 45 8.749 8.749 8.844 -0.095 19660 1042 1 4 . 1 1 46 46 ALA N N 46 122.249 122.249 124.643 -2.394 19660 1043 1 4 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.719 -0.163 19660 1044 1 4 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.529 -0.280 19660 1045 1 4 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.764 0.584 19660 1046 1 4 . 1 1 46 46 ALA H H 46 7.818 7.818 7.689 0.129 19660 1047 1 4 . 1 1 47 47 THR N N 47 116.571 116.571 117.081 -0.510 19660 1048 1 4 . 1 1 47 47 THR HA H 47 4.305 4.305 4.386 -0.081 19660 1049 1 4 . 1 1 47 47 THR CA C 47 61.924 61.924 61.998 -0.074 19660 1050 1 4 . 1 1 47 47 THR H H 47 8.387 8.387 8.210 0.177 19660 1051 1 4 . 1 1 48 48 VAL N N 48 127.683 127.683 124.489 3.194 19660 1052 1 4 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.243 0.390 19660 1053 1 4 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.335 2.000 19660 1054 1 4 . 1 1 48 48 VAL H H 48 8.695 8.695 8.370 0.325 19660 1055 1 4 . 1 1 49 49 LEU N N 49 129.662 129.662 127.502 2.160 19660 1056 1 4 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.759 -0.037 19660 1057 1 4 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.477 -0.667 19660 1058 1 4 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.264 0.326 19660 1059 1 4 . 1 1 49 49 LEU H H 49 8.594 8.594 8.246 0.348 19660 1060 1 4 . 1 1 50 50 CYS N N 50 123.551 123.551 124.205 -0.654 19660 1061 1 4 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.790 0.949 19660 1062 1 4 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.675 -3.386 19660 1063 1 4 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.379 18.045 19660 1064 1 4 . 1 1 50 50 CYS H H 50 8.910 8.910 8.271 0.639 19660 1065 1 4 . 1 1 51 51 CYS N N 51 119.604 119.604 125.830 -6.226 19660 1066 1 4 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.858 0.511 19660 1067 1 4 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.675 -4.076 19660 1068 1 4 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.848 17.656 19660 1069 1 4 . 1 1 51 51 CYS H H 51 9.281 9.281 9.002 0.279 19660 1070 1 4 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.277 0.701 19660 1071 1 4 . 1 1 52 52 PRO C C 52 175.082 175.082 176.616 -1.534 19660 1072 1 4 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.866 0.568 19660 1073 1 4 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.250 0.184 19660 1074 1 4 . 1 1 53 53 GLU N N 53 121.348 121.348 119.192 2.156 19660 1075 1 4 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.477 0.074 19660 1076 1 4 . 1 1 53 53 GLU C C 53 174.317 174.317 174.954 -0.637 19660 1077 1 4 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.163 0.543 19660 1078 1 4 . 1 1 53 53 GLU CB C 53 32.075 32.075 31.042 1.033 19660 1079 1 4 . 1 1 53 53 GLU H H 53 7.232 7.232 7.920 -0.688 19660 1080 1 4 . 1 1 54 54 ASP N N 54 118.893 118.893 117.241 1.652 19660 1081 1 4 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.569 0.301 19660 1082 1 4 . 1 1 54 54 ASP C C 54 177.950 177.950 176.475 1.475 19660 1083 1 4 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.305 2.245 19660 1084 1 4 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.629 -0.042 19660 1085 1 4 . 1 1 54 54 ASP H H 54 8.230 8.230 8.347 -0.117 19660 1086 1 4 . 1 1 55 55 LEU N N 55 113.945 113.945 118.384 -4.439 19660 1087 1 4 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.824 -0.134 19660 1088 1 4 . 1 1 55 55 LEU C C 55 176.734 176.734 176.648 0.086 19660 1089 1 4 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.316 0.330 19660 1090 1 4 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.457 -1.763 19660 1091 1 4 . 1 1 55 55 LEU H H 55 9.462 9.462 8.786 0.676 19660 1092 1 4 . 1 1 56 56 CYS N N 56 112.784 112.784 119.289 -6.505 19660 1093 1 4 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.472 0.042 19660 1094 1 4 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.147 -1.226 19660 1095 1 4 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.725 19.003 19660 1096 1 4 . 1 1 56 56 CYS H H 56 7.647 7.647 9.090 -1.443 19660 1097 1 5 . 1 1 2 2 GLN N N 2 125.663 125.663 118.324 7.339 19660 1098 1 5 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.171 0.227 19660 1099 1 5 . 1 1 2 2 GLN C C 2 174.668 174.668 174.845 -0.177 19660 1100 1 5 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.917 -1.145 19660 1101 1 5 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.121 -1.098 19660 1102 1 5 . 1 1 2 2 GLN H H 2 8.383 8.383 8.370 0.013 19660 1103 1 5 . 1 1 3 3 CYS N N 3 118.829 118.829 119.623 -0.794 19660 1104 1 5 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.090 0.056 19660 1105 1 5 . 1 1 3 3 CYS C C 3 174.118 174.118 173.974 0.144 19660 1106 1 5 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.885 -5.918 19660 1107 1 5 . 1 1 3 3 CYS H H 3 9.023 9.023 9.268 -0.245 19660 1108 1 5 . 1 1 4 4 ASN N N 4 119.446 119.446 120.963 -1.517 19660 1109 1 5 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.928 0.104 19660 1110 1 5 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.965 0.395 19660 1111 1 5 . 1 1 4 4 ASN CB C 4 39.627 39.627 39.715 -0.088 19660 1112 1 5 . 1 1 4 4 ASN H H 4 9.225 9.225 8.717 0.508 19660 1113 1 5 . 1 1 5 5 THR N N 5 109.185 109.185 110.220 -1.035 19660 1114 1 5 . 1 1 5 5 THR HA H 5 4.934 4.934 4.801 0.133 19660 1115 1 5 . 1 1 5 5 THR C C 5 176.984 176.984 176.151 0.833 19660 1116 1 5 . 1 1 5 5 THR CA C 5 60.188 60.188 59.894 0.294 19660 1117 1 5 . 1 1 5 5 THR CB C 5 70.286 70.286 72.528 -2.242 19660 1118 1 5 . 1 1 5 5 THR H H 5 7.823 7.823 8.281 -0.458 19660 1119 1 5 . 1 1 6 6 LEU N N 6 123.023 123.023 119.706 3.317 19660 1120 1 5 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.296 -0.323 19660 1121 1 5 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.423 0.201 19660 1122 1 5 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.789 1.103 19660 1123 1 5 . 1 1 6 6 LEU H H 6 8.958 8.958 8.882 0.076 19660 1124 1 5 . 1 1 7 7 ASP N N 7 115.117 115.117 118.833 -3.716 19660 1125 1 5 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.567 -0.033 19660 1126 1 5 . 1 1 7 7 ASP C C 7 176.415 176.415 177.025 -0.610 19660 1127 1 5 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.454 -0.714 19660 1128 1 5 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.711 -0.556 19660 1129 1 5 . 1 1 7 7 ASP H H 7 8.258 8.258 7.905 0.353 19660 1130 1 5 . 1 1 8 8 GLY N N 8 106.811 106.811 106.891 -0.080 19660 1131 1 5 . 1 1 8 8 GLY C C 8 174.831 174.831 174.785 0.046 19660 1132 1 5 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.270 0.139 19660 1133 1 5 . 1 1 8 8 GLY H H 8 7.669 7.669 7.863 -0.194 19660 1134 1 5 . 1 1 9 9 GLY N N 9 109.185 109.185 107.784 1.401 19660 1135 1 5 . 1 1 9 9 GLY C C 9 173.522 173.522 172.659 0.863 19660 1136 1 5 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.014 0.064 19660 1137 1 5 . 1 1 9 9 GLY H H 9 7.501 7.501 7.674 -0.173 19660 1138 1 5 . 1 1 10 10 THR N N 10 109.837 109.837 111.662 -1.825 19660 1139 1 5 . 1 1 10 10 THR HA H 10 5.220 5.220 4.871 0.349 19660 1140 1 5 . 1 1 10 10 THR CA C 10 60.357 60.357 60.457 -0.100 19660 1141 1 5 . 1 1 10 10 THR CB C 10 72.680 72.680 71.200 1.480 19660 1142 1 5 . 1 1 10 10 THR H H 10 8.115 8.115 8.007 0.108 19660 1143 1 5 . 1 1 11 11 GLU N N 11 121.356 121.356 122.393 -1.037 19660 1144 1 5 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.777 -0.151 19660 1145 1 5 . 1 1 11 11 GLU C C 11 174.150 174.150 175.265 -1.115 19660 1146 1 5 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.369 0.300 19660 1147 1 5 . 1 1 11 11 GLU CB C 11 33.344 33.344 32.828 0.516 19660 1148 1 5 . 1 1 11 11 GLU H H 11 9.133 9.133 9.159 -0.026 19660 1149 1 5 . 1 1 12 12 GLU N N 12 125.546 125.546 122.418 3.128 19660 1150 1 5 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.665 -0.199 19660 1151 1 5 . 1 1 12 12 GLU C C 12 176.388 176.388 175.954 0.434 19660 1152 1 5 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.812 -0.205 19660 1153 1 5 . 1 1 12 12 GLU CB C 12 29.840 29.840 30.094 -0.254 19660 1154 1 5 . 1 1 12 12 GLU H H 12 8.710 8.710 8.623 0.087 19660 1155 1 5 . 1 1 13 13 CYS N N 13 125.853 125.853 125.034 0.819 19660 1156 1 5 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.751 0.166 19660 1157 1 5 . 1 1 13 13 CYS CA C 13 52.626 52.626 59.013 -6.387 19660 1158 1 5 . 1 1 13 13 CYS CB C 13 37.284 37.284 27.511 9.773 19660 1159 1 5 . 1 1 13 13 CYS H H 13 8.840 8.840 8.637 0.203 19660 1160 1 5 . 1 1 14 14 ILE N N 14 127.700 127.700 127.066 0.634 19660 1161 1 5 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.287 0.005 19660 1162 1 5 . 1 1 14 14 ILE CA C 14 60.386 60.386 59.648 0.738 19660 1163 1 5 . 1 1 14 14 ILE H H 14 8.387 8.387 8.769 -0.382 19660 1164 1 5 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.343 0.086 19660 1165 1 5 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.414 0.373 19660 1166 1 5 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.264 2.142 19660 1167 1 5 . 1 1 16 16 GLY N N 16 111.774 111.774 111.170 0.604 19660 1168 1 5 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.546 0.488 19660 1169 1 5 . 1 1 16 16 GLY H H 16 8.752 8.752 8.334 0.418 19660 1170 1 5 . 1 1 17 17 ILE N N 17 118.758 118.758 121.200 -2.442 19660 1171 1 5 . 1 1 17 17 ILE HA H 17 3.970 3.970 3.844 0.126 19660 1172 1 5 . 1 1 17 17 ILE CA C 17 62.088 62.088 62.569 -0.481 19660 1173 1 5 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.141 1.150 19660 1174 1 5 . 1 1 17 17 ILE H H 17 7.527 7.527 7.485 0.042 19660 1175 1 5 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.888 -0.188 19660 1176 1 5 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.308 1.065 19660 1177 1 5 . 1 1 18 18 TYR CB C 18 39.765 39.765 39.019 0.746 19660 1178 1 5 . 1 1 19 19 ASN N N 19 118.488 118.488 121.757 -3.269 19660 1179 1 5 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.880 -0.132 19660 1180 1 5 . 1 1 19 19 ASN C C 19 174.728 174.728 174.805 -0.077 19660 1181 1 5 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.460 -0.664 19660 1182 1 5 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.033 -1.644 19660 1183 1 5 . 1 1 19 19 ASN H H 19 8.512 8.512 9.017 -0.505 19660 1184 1 5 . 1 1 20 20 VAL N N 20 114.324 114.324 116.717 -2.393 19660 1185 1 5 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.752 -0.065 19660 1186 1 5 . 1 1 20 20 VAL C C 20 173.641 173.641 174.290 -0.649 19660 1187 1 5 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.134 -0.012 19660 1188 1 5 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.228 1.713 19660 1189 1 5 . 1 1 20 20 VAL H H 20 8.064 8.064 8.053 0.011 19660 1190 1 5 . 1 1 21 21 CYS N N 21 117.375 117.375 114.727 2.648 19660 1191 1 5 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.808 0.723 19660 1192 1 5 . 1 1 21 21 CYS C C 21 169.343 169.343 172.582 -3.239 19660 1193 1 5 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.762 -5.262 19660 1194 1 5 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.826 8.594 19660 1195 1 5 . 1 1 21 21 CYS H H 21 9.308 9.308 8.404 0.904 19660 1196 1 5 . 1 1 22 22 VAL N N 22 118.966 118.966 121.167 -2.201 19660 1197 1 5 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.507 0.972 19660 1198 1 5 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.657 -1.053 19660 1199 1 5 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.151 1.086 19660 1200 1 5 . 1 1 22 22 VAL H H 22 9.168 9.168 8.343 0.825 19660 1201 1 5 . 1 1 23 23 HIS N N 23 127.041 127.041 126.575 0.466 19660 1202 1 5 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.763 0.752 19660 1203 1 5 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.394 -0.156 19660 1204 1 5 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.672 2.729 19660 1205 1 5 . 1 1 23 23 HIS H H 23 9.214 9.214 8.530 0.684 19660 1206 1 5 . 1 1 24 24 TYR N N 24 132.376 132.376 129.821 2.555 19660 1207 1 5 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.433 0.190 19660 1208 1 5 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.062 -0.412 19660 1209 1 5 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.423 1.625 19660 1210 1 5 . 1 1 24 24 TYR H H 24 8.967 8.967 8.813 0.154 19660 1211 1 5 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.448 0.381 19660 1212 1 5 . 1 1 25 25 LYS C C 25 173.479 173.479 174.735 -1.256 19660 1213 1 5 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.081 1.167 19660 1214 1 5 . 1 1 25 25 LYS CB C 25 36.269 36.269 33.848 2.421 19660 1215 1 5 . 1 1 25 25 LYS H H 25 8.028 8.028 8.018 0.010 19660 1216 1 5 . 1 1 26 26 SER N N 26 125.633 125.633 121.317 4.316 19660 1217 1 5 . 1 1 26 26 SER HA H 26 4.959 4.959 4.772 0.187 19660 1218 1 5 . 1 1 26 26 SER C C 26 174.081 174.081 173.846 0.235 19660 1219 1 5 . 1 1 26 26 SER CA C 26 56.012 56.012 57.145 -1.133 19660 1220 1 5 . 1 1 26 26 SER CB C 26 66.581 66.581 65.763 0.818 19660 1221 1 5 . 1 1 26 26 SER H H 26 9.314 9.314 8.677 0.637 19660 1222 1 5 . 1 1 27 27 GLU N N 27 118.790 118.790 121.531 -2.741 19660 1223 1 5 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.269 -0.193 19660 1224 1 5 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.844 1.305 19660 1225 1 5 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.628 -0.116 19660 1226 1 5 . 1 1 27 27 GLU H H 27 8.848 8.848 8.610 0.238 19660 1227 1 5 . 1 1 28 28 ASP N N 28 114.555 114.555 118.999 -4.444 19660 1228 1 5 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.671 0.147 19660 1229 1 5 . 1 1 28 28 ASP C C 28 175.500 175.500 175.652 -0.152 19660 1230 1 5 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.849 -0.284 19660 1231 1 5 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.803 1.479 19660 1232 1 5 . 1 1 28 28 ASP H H 28 8.145 8.145 8.240 -0.095 19660 1233 1 5 . 1 1 29 29 GLU N N 29 119.483 119.483 117.513 1.970 19660 1234 1 5 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.605 0.180 19660 1235 1 5 . 1 1 29 29 GLU C C 29 173.282 173.282 173.968 -0.686 19660 1236 1 5 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.517 0.154 19660 1237 1 5 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.651 1.219 19660 1238 1 5 . 1 1 29 29 GLU H H 29 7.774 7.774 7.957 -0.183 19660 1239 1 5 . 1 1 30 30 GLU N N 30 122.376 122.376 120.698 1.678 19660 1240 1 5 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.937 0.546 19660 1241 1 5 . 1 1 30 30 GLU C C 30 174.486 174.486 175.050 -0.564 19660 1242 1 5 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.175 -1.123 19660 1243 1 5 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.457 0.396 19660 1244 1 5 . 1 1 30 30 GLU H H 30 8.419 8.419 8.643 -0.224 19660 1245 1 5 . 1 1 31 31 TYR N N 31 119.914 119.914 121.649 -1.735 19660 1246 1 5 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.960 0.030 19660 1247 1 5 . 1 1 31 31 TYR C C 31 173.240 173.240 172.839 0.401 19660 1248 1 5 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.726 0.632 19660 1249 1 5 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.457 0.302 19660 1250 1 5 . 1 1 31 31 TYR H H 31 9.089 9.089 8.702 0.387 19660 1251 1 5 . 1 1 32 32 LYS N N 32 121.363 121.363 120.063 1.300 19660 1252 1 5 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.823 0.633 19660 1253 1 5 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.243 -0.309 19660 1254 1 5 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.840 1.502 19660 1255 1 5 . 1 1 32 32 LYS H H 32 8.643 8.643 8.521 0.122 19660 1256 1 5 . 1 1 33 33 SER N N 33 113.477 113.477 117.165 -3.688 19660 1257 1 5 . 1 1 33 33 SER HA H 33 4.599 4.599 4.659 -0.060 19660 1258 1 5 . 1 1 33 33 SER C C 33 174.210 174.210 172.619 1.591 19660 1259 1 5 . 1 1 33 33 SER CA C 33 58.123 58.123 58.504 -0.381 19660 1260 1 5 . 1 1 33 33 SER CB C 33 66.263 66.263 64.980 1.283 19660 1261 1 5 . 1 1 33 33 SER H H 33 8.151 8.151 8.245 -0.094 19660 1262 1 5 . 1 1 34 34 CYS N N 34 118.998 118.998 120.522 -1.524 19660 1263 1 5 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.542 0.752 19660 1264 1 5 . 1 1 34 34 CYS C C 34 175.636 175.636 173.183 2.453 19660 1265 1 5 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.125 -0.397 19660 1266 1 5 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.758 15.756 19660 1267 1 5 . 1 1 34 34 CYS H H 34 8.652 8.652 8.459 0.193 19660 1268 1 5 . 1 1 35 35 GLY N N 35 112.013 112.013 108.480 3.533 19660 1269 1 5 . 1 1 35 35 GLY CA C 35 45.922 45.922 46.260 -0.338 19660 1270 1 5 . 1 1 35 35 GLY H H 35 9.451 9.451 8.563 0.888 19660 1271 1 5 . 1 1 36 36 ILE N N 36 118.738 118.738 119.927 -1.189 19660 1272 1 5 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.712 0.139 19660 1273 1 5 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.286 0.591 19660 1274 1 5 . 1 1 36 36 ILE H H 36 8.576 8.576 7.728 0.848 19660 1275 1 5 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.836 0.111 19660 1276 1 5 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.106 0.159 19660 1277 1 5 . 1 1 38 38 GLU N N 38 117.838 117.838 117.246 0.592 19660 1278 1 5 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.085 -0.031 19660 1279 1 5 . 1 1 38 38 GLU C C 38 177.610 177.610 178.078 -0.468 19660 1280 1 5 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.131 0.700 19660 1281 1 5 . 1 1 38 38 GLU H H 38 9.140 9.140 8.782 0.358 19660 1282 1 5 . 1 1 39 39 GLU N N 39 117.727 117.727 118.614 -0.887 19660 1283 1 5 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.262 0.100 19660 1284 1 5 . 1 1 39 39 GLU C C 39 177.387 177.387 179.126 -1.739 19660 1285 1 5 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.815 -1.658 19660 1286 1 5 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.251 -0.443 19660 1287 1 5 . 1 1 39 39 GLU H H 39 7.933 7.933 7.868 0.065 19660 1288 1 5 . 1 1 40 40 CYS N N 40 117.847 117.847 120.194 -2.347 19660 1289 1 5 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.192 0.180 19660 1290 1 5 . 1 1 40 40 CYS C C 40 174.430 174.430 176.780 -2.350 19660 1291 1 5 . 1 1 40 40 CYS CA C 40 58.787 58.787 63.307 -4.520 19660 1292 1 5 . 1 1 40 40 CYS CB C 40 44.304 44.304 25.867 18.437 19660 1293 1 5 . 1 1 40 40 CYS H H 40 7.745 7.745 8.782 -1.037 19660 1294 1 5 . 1 1 41 41 GLU N N 41 120.521 120.521 120.351 0.170 19660 1295 1 5 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.023 0.315 19660 1296 1 5 . 1 1 41 41 GLU CA C 41 56.224 56.224 59.076 -2.852 19660 1297 1 5 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.103 1.997 19660 1298 1 5 . 1 1 41 41 GLU H H 41 7.680 7.680 8.271 -0.591 19660 1299 1 5 . 1 1 42 42 ASP N N 42 121.236 121.236 119.265 1.971 19660 1300 1 5 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.363 0.229 19660 1301 1 5 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.564 -1.990 19660 1302 1 5 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.992 0.202 19660 1303 1 5 . 1 1 42 42 ASP H H 42 8.254 8.254 7.616 0.638 19660 1304 1 5 . 1 1 43 43 ALA N N 43 124.610 124.610 122.441 2.169 19660 1305 1 5 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.330 0.149 19660 1306 1 5 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.084 -0.098 19660 1307 1 5 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.045 2.606 19660 1308 1 5 . 1 1 43 43 ALA H H 43 8.104 8.104 7.460 0.644 19660 1309 1 5 . 1 1 44 44 GLU N N 44 121.280 121.280 124.178 -2.898 19660 1310 1 5 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.202 0.025 19660 1311 1 5 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.272 -0.059 19660 1312 1 5 . 1 1 44 44 GLU H H 44 8.565 8.565 7.957 0.608 19660 1313 1 5 . 1 1 45 45 GLY N N 45 111.878 111.878 111.363 0.515 19660 1314 1 5 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.688 1.109 19660 1315 1 5 . 1 1 45 45 GLY H H 45 8.749 8.749 8.935 -0.186 19660 1316 1 5 . 1 1 46 46 ALA N N 46 122.249 122.249 123.713 -1.464 19660 1317 1 5 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.702 -0.146 19660 1318 1 5 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.343 -0.094 19660 1319 1 5 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.719 0.629 19660 1320 1 5 . 1 1 46 46 ALA H H 46 7.818 7.818 7.677 0.141 19660 1321 1 5 . 1 1 47 47 THR N N 47 116.571 116.571 115.750 0.821 19660 1322 1 5 . 1 1 47 47 THR HA H 47 4.305 4.305 4.426 -0.121 19660 1323 1 5 . 1 1 47 47 THR CA C 47 61.924 61.924 61.537 0.387 19660 1324 1 5 . 1 1 47 47 THR H H 47 8.387 8.387 8.257 0.130 19660 1325 1 5 . 1 1 48 48 VAL N N 48 127.683 127.683 126.855 0.828 19660 1326 1 5 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.253 0.380 19660 1327 1 5 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.403 1.932 19660 1328 1 5 . 1 1 48 48 VAL H H 48 8.695 8.695 8.400 0.295 19660 1329 1 5 . 1 1 49 49 LEU N N 49 129.662 129.662 127.598 2.064 19660 1330 1 5 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.735 -0.013 19660 1331 1 5 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.284 -0.474 19660 1332 1 5 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.045 0.544 19660 1333 1 5 . 1 1 49 49 LEU H H 49 8.594 8.594 8.261 0.334 19660 1334 1 5 . 1 1 50 50 CYS N N 50 123.551 123.551 124.029 -0.478 19660 1335 1 5 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.779 0.960 19660 1336 1 5 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.673 -3.384 19660 1337 1 5 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.396 18.028 19660 1338 1 5 . 1 1 50 50 CYS H H 50 8.910 8.910 8.262 0.648 19660 1339 1 5 . 1 1 51 51 CYS N N 51 119.604 119.604 125.833 -6.229 19660 1340 1 5 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.855 0.514 19660 1341 1 5 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.700 -4.101 19660 1342 1 5 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.817 17.687 19660 1343 1 5 . 1 1 51 51 CYS H H 51 9.281 9.281 9.001 0.280 19660 1344 1 5 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.390 0.588 19660 1345 1 5 . 1 1 52 52 PRO C C 52 175.082 175.082 176.520 -1.438 19660 1346 1 5 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.645 0.789 19660 1347 1 5 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.131 0.303 19660 1348 1 5 . 1 1 53 53 GLU N N 53 121.348 121.348 119.720 1.628 19660 1349 1 5 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.377 0.174 19660 1350 1 5 . 1 1 53 53 GLU C C 53 174.317 174.317 175.126 -0.809 19660 1351 1 5 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.286 0.419 19660 1352 1 5 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.937 1.138 19660 1353 1 5 . 1 1 53 53 GLU H H 53 7.232 7.232 7.922 -0.690 19660 1354 1 5 . 1 1 54 54 ASP N N 54 118.893 118.893 117.597 1.296 19660 1355 1 5 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.552 0.318 19660 1356 1 5 . 1 1 54 54 ASP C C 54 177.950 177.950 176.326 1.624 19660 1357 1 5 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.352 2.198 19660 1358 1 5 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.690 -0.103 19660 1359 1 5 . 1 1 54 54 ASP H H 54 8.230 8.230 8.381 -0.151 19660 1360 1 5 . 1 1 55 55 LEU N N 55 113.945 113.945 118.414 -4.469 19660 1361 1 5 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.837 -0.147 19660 1362 1 5 . 1 1 55 55 LEU C C 55 176.734 176.734 176.547 0.187 19660 1363 1 5 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.298 0.348 19660 1364 1 5 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.577 -1.883 19660 1365 1 5 . 1 1 55 55 LEU H H 55 9.462 9.462 8.697 0.765 19660 1366 1 5 . 1 1 56 56 CYS N N 56 112.784 112.784 119.198 -6.414 19660 1367 1 5 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.442 0.072 19660 1368 1 5 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.105 -1.184 19660 1369 1 5 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.848 18.880 19660 1370 1 5 . 1 1 56 56 CYS H H 56 7.647 7.647 9.061 -1.414 19660 1371 1 6 . 1 1 2 2 GLN N N 2 125.663 125.663 118.401 7.262 19660 1372 1 6 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.211 0.187 19660 1373 1 6 . 1 1 2 2 GLN C C 2 174.668 174.668 174.857 -0.189 19660 1374 1 6 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.857 -1.085 19660 1375 1 6 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.160 -1.137 19660 1376 1 6 . 1 1 2 2 GLN H H 2 8.383 8.383 8.343 0.040 19660 1377 1 6 . 1 1 3 3 CYS N N 3 118.829 118.829 119.650 -0.821 19660 1378 1 6 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.063 0.083 19660 1379 1 6 . 1 1 3 3 CYS C C 3 174.118 174.118 174.024 0.094 19660 1380 1 6 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.968 -6.001 19660 1381 1 6 . 1 1 3 3 CYS H H 3 9.023 9.023 9.249 -0.226 19660 1382 1 6 . 1 1 4 4 ASN N N 4 119.446 119.446 121.236 -1.790 19660 1383 1 6 . 1 1 4 4 ASN HA H 4 5.032 5.032 5.086 -0.054 19660 1384 1 6 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.928 0.432 19660 1385 1 6 . 1 1 4 4 ASN CB C 4 39.627 39.627 39.999 -0.372 19660 1386 1 6 . 1 1 4 4 ASN H H 4 9.225 9.225 8.537 0.688 19660 1387 1 6 . 1 1 5 5 THR N N 5 109.185 109.185 108.757 0.428 19660 1388 1 6 . 1 1 5 5 THR HA H 5 4.934 4.934 4.834 0.100 19660 1389 1 6 . 1 1 5 5 THR C C 5 176.984 176.984 176.257 0.727 19660 1390 1 6 . 1 1 5 5 THR CA C 5 60.188 60.188 59.398 0.791 19660 1391 1 6 . 1 1 5 5 THR CB C 5 70.286 70.286 72.511 -2.225 19660 1392 1 6 . 1 1 5 5 THR H H 5 7.823 7.823 8.173 -0.350 19660 1393 1 6 . 1 1 6 6 LEU N N 6 123.023 123.023 119.927 3.096 19660 1394 1 6 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.315 -0.342 19660 1395 1 6 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.472 0.152 19660 1396 1 6 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.785 1.107 19660 1397 1 6 . 1 1 6 6 LEU H H 6 8.958 8.958 8.940 0.018 19660 1398 1 6 . 1 1 7 7 ASP N N 7 115.117 115.117 118.663 -3.546 19660 1399 1 6 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.533 0.001 19660 1400 1 6 . 1 1 7 7 ASP C C 7 176.415 176.415 177.014 -0.599 19660 1401 1 6 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.321 -0.581 19660 1402 1 6 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.680 -0.525 19660 1403 1 6 . 1 1 7 7 ASP H H 7 8.258 8.258 8.062 0.196 19660 1404 1 6 . 1 1 8 8 GLY N N 8 106.811 106.811 106.020 0.791 19660 1405 1 6 . 1 1 8 8 GLY C C 8 174.831 174.831 174.930 -0.099 19660 1406 1 6 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.996 0.413 19660 1407 1 6 . 1 1 8 8 GLY H H 8 7.669 7.669 7.703 -0.034 19660 1408 1 6 . 1 1 9 9 GLY N N 9 109.185 109.185 109.224 -0.039 19660 1409 1 6 . 1 1 9 9 GLY C C 9 173.522 173.522 172.941 0.581 19660 1410 1 6 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.280 -0.202 19660 1411 1 6 . 1 1 9 9 GLY H H 9 7.501 7.501 7.752 -0.251 19660 1412 1 6 . 1 1 10 10 THR N N 10 109.837 109.837 111.460 -1.623 19660 1413 1 6 . 1 1 10 10 THR HA H 10 5.220 5.220 4.924 0.296 19660 1414 1 6 . 1 1 10 10 THR CA C 10 60.357 60.357 60.334 0.023 19660 1415 1 6 . 1 1 10 10 THR CB C 10 72.680 72.680 71.453 1.227 19660 1416 1 6 . 1 1 10 10 THR H H 10 8.115 8.115 7.984 0.131 19660 1417 1 6 . 1 1 11 11 GLU N N 11 121.356 121.356 122.262 -0.906 19660 1418 1 6 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.779 -0.153 19660 1419 1 6 . 1 1 11 11 GLU C C 11 174.150 174.150 175.352 -1.202 19660 1420 1 6 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.330 0.339 19660 1421 1 6 . 1 1 11 11 GLU CB C 11 33.344 33.344 32.784 0.560 19660 1422 1 6 . 1 1 11 11 GLU H H 11 9.133 9.133 9.136 -0.003 19660 1423 1 6 . 1 1 12 12 GLU N N 12 125.546 125.546 122.474 3.072 19660 1424 1 6 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.674 -0.208 19660 1425 1 6 . 1 1 12 12 GLU C C 12 176.388 176.388 175.909 0.479 19660 1426 1 6 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.752 -0.145 19660 1427 1 6 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.943 -0.103 19660 1428 1 6 . 1 1 12 12 GLU H H 12 8.710 8.710 8.648 0.062 19660 1429 1 6 . 1 1 13 13 CYS N N 13 125.853 125.853 124.328 1.525 19660 1430 1 6 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.712 0.205 19660 1431 1 6 . 1 1 13 13 CYS CA C 13 52.626 52.626 59.238 -6.612 19660 1432 1 6 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.426 10.858 19660 1433 1 6 . 1 1 13 13 CYS H H 13 8.840 8.840 8.315 0.525 19660 1434 1 6 . 1 1 14 14 ILE N N 14 127.700 127.700 123.711 3.989 19660 1435 1 6 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.514 -0.222 19660 1436 1 6 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.773 1.613 19660 1437 1 6 . 1 1 14 14 ILE H H 14 8.387 8.387 8.388 -0.001 19660 1438 1 6 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.371 0.058 19660 1439 1 6 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.642 0.144 19660 1440 1 6 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.749 1.657 19660 1441 1 6 . 1 1 16 16 GLY N N 16 111.774 111.774 112.793 -1.019 19660 1442 1 6 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.083 0.951 19660 1443 1 6 . 1 1 16 16 GLY H H 16 8.752 8.752 8.266 0.486 19660 1444 1 6 . 1 1 17 17 ILE N N 17 118.758 118.758 122.010 -3.252 19660 1445 1 6 . 1 1 17 17 ILE HA H 17 3.970 3.970 3.829 0.141 19660 1446 1 6 . 1 1 17 17 ILE CA C 17 62.088 62.088 62.827 -0.738 19660 1447 1 6 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.090 1.201 19660 1448 1 6 . 1 1 17 17 ILE H H 17 7.527 7.527 7.704 -0.177 19660 1449 1 6 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.914 -0.214 19660 1450 1 6 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.162 1.211 19660 1451 1 6 . 1 1 18 18 TYR CB C 18 39.765 39.765 38.874 0.891 19660 1452 1 6 . 1 1 19 19 ASN N N 19 118.488 118.488 122.018 -3.530 19660 1453 1 6 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.863 -0.115 19660 1454 1 6 . 1 1 19 19 ASN C C 19 174.728 174.728 174.816 -0.088 19660 1455 1 6 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.517 -0.721 19660 1456 1 6 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.064 -1.675 19660 1457 1 6 . 1 1 19 19 ASN H H 19 8.512 8.512 9.108 -0.596 19660 1458 1 6 . 1 1 20 20 VAL N N 20 114.324 114.324 116.516 -2.192 19660 1459 1 6 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.715 -0.028 19660 1460 1 6 . 1 1 20 20 VAL C C 20 173.641 173.641 174.214 -0.573 19660 1461 1 6 . 1 1 20 20 VAL CA C 20 60.122 60.122 59.796 0.326 19660 1462 1 6 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.053 1.888 19660 1463 1 6 . 1 1 20 20 VAL H H 20 8.064 8.064 7.953 0.111 19660 1464 1 6 . 1 1 21 21 CYS N N 21 117.375 117.375 115.608 1.767 19660 1465 1 6 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.853 0.678 19660 1466 1 6 . 1 1 21 21 CYS C C 21 169.343 169.343 172.812 -3.469 19660 1467 1 6 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.588 -5.088 19660 1468 1 6 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.113 9.307 19660 1469 1 6 . 1 1 21 21 CYS H H 21 9.308 9.308 8.368 0.940 19660 1470 1 6 . 1 1 22 22 VAL N N 22 118.966 118.966 120.892 -1.926 19660 1471 1 6 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.476 1.003 19660 1472 1 6 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.398 -0.793 19660 1473 1 6 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.377 0.860 19660 1474 1 6 . 1 1 22 22 VAL H H 22 9.168 9.168 8.310 0.858 19660 1475 1 6 . 1 1 23 23 HIS N N 23 127.041 127.041 126.123 0.918 19660 1476 1 6 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.771 0.744 19660 1477 1 6 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.695 -0.457 19660 1478 1 6 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.694 2.708 19660 1479 1 6 . 1 1 23 23 HIS H H 23 9.214 9.214 8.527 0.687 19660 1480 1 6 . 1 1 24 24 TYR N N 24 132.376 132.376 129.473 2.903 19660 1481 1 6 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.452 0.171 19660 1482 1 6 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.069 -0.419 19660 1483 1 6 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.531 1.517 19660 1484 1 6 . 1 1 24 24 TYR H H 24 8.967 8.967 8.797 0.170 19660 1485 1 6 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.439 0.390 19660 1486 1 6 . 1 1 25 25 LYS C C 25 173.479 173.479 174.840 -1.361 19660 1487 1 6 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.406 0.843 19660 1488 1 6 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.286 1.983 19660 1489 1 6 . 1 1 25 25 LYS H H 25 8.028 8.028 8.168 -0.140 19660 1490 1 6 . 1 1 26 26 SER N N 26 125.633 125.633 121.487 4.146 19660 1491 1 6 . 1 1 26 26 SER HA H 26 4.959 4.959 4.699 0.260 19660 1492 1 6 . 1 1 26 26 SER C C 26 174.081 174.081 173.572 0.509 19660 1493 1 6 . 1 1 26 26 SER CA C 26 56.012 56.012 57.380 -1.368 19660 1494 1 6 . 1 1 26 26 SER CB C 26 66.581 66.581 66.208 0.373 19660 1495 1 6 . 1 1 26 26 SER H H 26 9.314 9.314 8.695 0.619 19660 1496 1 6 . 1 1 27 27 GLU N N 27 118.790 118.790 121.199 -2.409 19660 1497 1 6 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.190 -0.114 19660 1498 1 6 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.992 1.157 19660 1499 1 6 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.930 -0.418 19660 1500 1 6 . 1 1 27 27 GLU H H 27 8.848 8.848 8.581 0.267 19660 1501 1 6 . 1 1 28 28 ASP N N 28 114.555 114.555 120.076 -5.521 19660 1502 1 6 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.700 0.118 19660 1503 1 6 . 1 1 28 28 ASP C C 28 175.500 175.500 175.524 -0.024 19660 1504 1 6 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.867 -0.302 19660 1505 1 6 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.522 1.760 19660 1506 1 6 . 1 1 28 28 ASP H H 28 8.145 8.145 8.338 -0.193 19660 1507 1 6 . 1 1 29 29 GLU N N 29 119.483 119.483 117.661 1.822 19660 1508 1 6 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.596 0.189 19660 1509 1 6 . 1 1 29 29 GLU C C 29 173.282 173.282 173.962 -0.680 19660 1510 1 6 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.522 0.150 19660 1511 1 6 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.598 1.272 19660 1512 1 6 . 1 1 29 29 GLU H H 29 7.774 7.774 7.968 -0.194 19660 1513 1 6 . 1 1 30 30 GLU N N 30 122.376 122.376 120.896 1.480 19660 1514 1 6 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.923 0.560 19660 1515 1 6 . 1 1 30 30 GLU C C 30 174.486 174.486 174.714 -0.228 19660 1516 1 6 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.162 -1.110 19660 1517 1 6 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.519 0.334 19660 1518 1 6 . 1 1 30 30 GLU H H 30 8.419 8.419 8.628 -0.209 19660 1519 1 6 . 1 1 31 31 TYR N N 31 119.914 119.914 121.386 -1.472 19660 1520 1 6 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.952 0.038 19660 1521 1 6 . 1 1 31 31 TYR C C 31 173.240 173.240 172.840 0.400 19660 1522 1 6 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.748 0.610 19660 1523 1 6 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.251 0.508 19660 1524 1 6 . 1 1 31 31 TYR H H 31 9.089 9.089 8.743 0.346 19660 1525 1 6 . 1 1 32 32 LYS N N 32 121.363 121.363 120.898 0.465 19660 1526 1 6 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.846 0.610 19660 1527 1 6 . 1 1 32 32 LYS CA C 32 55.934 55.934 55.936 -0.002 19660 1528 1 6 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.813 1.529 19660 1529 1 6 . 1 1 32 32 LYS H H 32 8.643 8.643 8.498 0.145 19660 1530 1 6 . 1 1 33 33 SER N N 33 113.477 113.477 117.350 -3.873 19660 1531 1 6 . 1 1 33 33 SER HA H 33 4.599 4.599 4.731 -0.132 19660 1532 1 6 . 1 1 33 33 SER C C 33 174.210 174.210 172.191 2.019 19660 1533 1 6 . 1 1 33 33 SER CA C 33 58.123 58.123 58.175 -0.052 19660 1534 1 6 . 1 1 33 33 SER CB C 33 66.263 66.263 64.755 1.508 19660 1535 1 6 . 1 1 33 33 SER H H 33 8.151 8.151 8.156 -0.005 19660 1536 1 6 . 1 1 34 34 CYS N N 34 118.998 118.998 121.807 -2.809 19660 1537 1 6 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.574 0.720 19660 1538 1 6 . 1 1 34 34 CYS C C 34 175.636 175.636 173.243 2.393 19660 1539 1 6 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.499 -0.771 19660 1540 1 6 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.691 15.823 19660 1541 1 6 . 1 1 34 34 CYS H H 34 8.652 8.652 8.561 0.091 19660 1542 1 6 . 1 1 35 35 GLY N N 35 112.013 112.013 108.322 3.691 19660 1543 1 6 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.978 -0.056 19660 1544 1 6 . 1 1 35 35 GLY H H 35 9.451 9.451 8.442 1.009 19660 1545 1 6 . 1 1 36 36 ILE N N 36 118.738 118.738 119.483 -0.745 19660 1546 1 6 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.632 0.219 19660 1547 1 6 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.606 1.271 19660 1548 1 6 . 1 1 36 36 ILE H H 36 8.576 8.576 8.036 0.540 19660 1549 1 6 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.888 0.059 19660 1550 1 6 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.190 0.075 19660 1551 1 6 . 1 1 38 38 GLU N N 38 117.838 117.838 118.432 -0.594 19660 1552 1 6 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.148 -0.094 19660 1553 1 6 . 1 1 38 38 GLU C C 38 177.610 177.610 177.570 0.040 19660 1554 1 6 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.048 0.783 19660 1555 1 6 . 1 1 38 38 GLU H H 38 9.140 9.140 8.749 0.391 19660 1556 1 6 . 1 1 39 39 GLU N N 39 117.727 117.727 117.517 0.210 19660 1557 1 6 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.312 0.050 19660 1558 1 6 . 1 1 39 39 GLU C C 39 177.387 177.387 177.861 -0.474 19660 1559 1 6 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.102 -0.945 19660 1560 1 6 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.187 -0.379 19660 1561 1 6 . 1 1 39 39 GLU H H 39 7.933 7.933 7.776 0.157 19660 1562 1 6 . 1 1 40 40 CYS N N 40 117.847 117.847 119.920 -2.073 19660 1563 1 6 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.347 0.025 19660 1564 1 6 . 1 1 40 40 CYS C C 40 174.430 174.430 176.771 -2.341 19660 1565 1 6 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.316 -3.529 19660 1566 1 6 . 1 1 40 40 CYS CB C 40 44.304 44.304 27.265 17.039 19660 1567 1 6 . 1 1 40 40 CYS H H 40 7.745 7.745 8.504 -0.759 19660 1568 1 6 . 1 1 41 41 GLU N N 41 120.521 120.521 120.536 -0.015 19660 1569 1 6 . 1 1 41 41 GLU HA H 41 4.338 4.338 3.984 0.354 19660 1570 1 6 . 1 1 41 41 GLU CA C 41 56.224 56.224 59.010 -2.786 19660 1571 1 6 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.392 1.708 19660 1572 1 6 . 1 1 41 41 GLU H H 41 7.680 7.680 7.868 -0.188 19660 1573 1 6 . 1 1 42 42 ASP N N 42 121.236 121.236 118.534 2.702 19660 1574 1 6 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.383 0.209 19660 1575 1 6 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.098 -1.524 19660 1576 1 6 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.799 0.395 19660 1577 1 6 . 1 1 42 42 ASP H H 42 8.254 8.254 7.495 0.759 19660 1578 1 6 . 1 1 43 43 ALA N N 43 124.610 124.610 122.389 2.221 19660 1579 1 6 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.289 0.191 19660 1580 1 6 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.161 -0.175 19660 1581 1 6 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.123 2.528 19660 1582 1 6 . 1 1 43 43 ALA H H 43 8.104 8.104 7.496 0.608 19660 1583 1 6 . 1 1 44 44 GLU N N 44 121.280 121.280 124.842 -3.562 19660 1584 1 6 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.145 0.082 19660 1585 1 6 . 1 1 44 44 GLU CA C 44 57.213 57.213 56.925 0.288 19660 1586 1 6 . 1 1 44 44 GLU H H 44 8.565 8.565 8.049 0.516 19660 1587 1 6 . 1 1 45 45 GLY N N 45 111.878 111.878 114.545 -2.667 19660 1588 1 6 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.999 0.798 19660 1589 1 6 . 1 1 45 45 GLY H H 45 8.749 8.749 8.712 0.037 19660 1590 1 6 . 1 1 46 46 ALA N N 46 122.249 122.249 124.828 -2.579 19660 1591 1 6 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.605 -0.049 19660 1592 1 6 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.480 -0.231 19660 1593 1 6 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.383 0.965 19660 1594 1 6 . 1 1 46 46 ALA H H 46 7.818 7.818 7.547 0.271 19660 1595 1 6 . 1 1 47 47 THR N N 47 116.571 116.571 116.183 0.388 19660 1596 1 6 . 1 1 47 47 THR HA H 47 4.305 4.305 4.467 -0.162 19660 1597 1 6 . 1 1 47 47 THR CA C 47 61.924 61.924 61.831 0.093 19660 1598 1 6 . 1 1 47 47 THR H H 47 8.387 8.387 8.195 0.192 19660 1599 1 6 . 1 1 48 48 VAL N N 48 127.683 127.683 124.752 2.931 19660 1600 1 6 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.274 0.359 19660 1601 1 6 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.210 2.125 19660 1602 1 6 . 1 1 48 48 VAL H H 48 8.695 8.695 8.403 0.292 19660 1603 1 6 . 1 1 49 49 LEU N N 49 129.662 129.662 128.329 1.333 19660 1604 1 6 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.660 0.062 19660 1605 1 6 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.512 -0.702 19660 1606 1 6 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.150 0.440 19660 1607 1 6 . 1 1 49 49 LEU H H 49 8.594 8.594 8.266 0.328 19660 1608 1 6 . 1 1 50 50 CYS N N 50 123.551 123.551 123.411 0.140 19660 1609 1 6 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.771 0.968 19660 1610 1 6 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.622 -3.333 19660 1611 1 6 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.527 17.897 19660 1612 1 6 . 1 1 50 50 CYS H H 50 8.910 8.910 8.270 0.640 19660 1613 1 6 . 1 1 51 51 CYS N N 51 119.604 119.604 125.811 -6.207 19660 1614 1 6 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.857 0.512 19660 1615 1 6 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.715 -4.116 19660 1616 1 6 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.840 17.664 19660 1617 1 6 . 1 1 51 51 CYS H H 51 9.281 9.281 9.007 0.274 19660 1618 1 6 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.395 0.583 19660 1619 1 6 . 1 1 52 52 PRO C C 52 175.082 175.082 176.445 -1.363 19660 1620 1 6 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.663 0.771 19660 1621 1 6 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.121 0.313 19660 1622 1 6 . 1 1 53 53 GLU N N 53 121.348 121.348 119.633 1.715 19660 1623 1 6 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.435 0.116 19660 1624 1 6 . 1 1 53 53 GLU C C 53 174.317 174.317 175.314 -0.997 19660 1625 1 6 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.171 0.534 19660 1626 1 6 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.862 1.213 19660 1627 1 6 . 1 1 53 53 GLU H H 53 7.232 7.232 8.004 -0.772 19660 1628 1 6 . 1 1 54 54 ASP N N 54 118.893 118.893 117.996 0.897 19660 1629 1 6 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.498 0.372 19660 1630 1 6 . 1 1 54 54 ASP C C 54 177.950 177.950 176.269 1.681 19660 1631 1 6 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.461 2.089 19660 1632 1 6 . 1 1 54 54 ASP CB C 54 41.587 41.587 42.162 -0.575 19660 1633 1 6 . 1 1 54 54 ASP H H 54 8.230 8.230 8.330 -0.100 19660 1634 1 6 . 1 1 55 55 LEU N N 55 113.945 113.945 117.972 -4.027 19660 1635 1 6 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.867 -0.177 19660 1636 1 6 . 1 1 55 55 LEU C C 55 176.734 176.734 176.501 0.233 19660 1637 1 6 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.320 0.326 19660 1638 1 6 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.403 -1.708 19660 1639 1 6 . 1 1 55 55 LEU H H 55 9.462 9.462 8.849 0.613 19660 1640 1 6 . 1 1 56 56 CYS N N 56 112.784 112.784 119.199 -6.415 19660 1641 1 6 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.439 0.075 19660 1642 1 6 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.079 -1.158 19660 1643 1 6 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.878 18.850 19660 1644 1 6 . 1 1 56 56 CYS H H 56 7.647 7.647 9.057 -1.410 19660 1645 1 7 . 1 1 2 2 GLN N N 2 125.663 125.663 120.125 5.538 19660 1646 1 7 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.060 0.338 19660 1647 1 7 . 1 1 2 2 GLN C C 2 174.668 174.668 174.822 -0.154 19660 1648 1 7 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.961 -1.189 19660 1649 1 7 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.160 -1.137 19660 1650 1 7 . 1 1 2 2 GLN H H 2 8.383 8.383 8.466 -0.083 19660 1651 1 7 . 1 1 3 3 CYS N N 3 118.829 118.829 119.985 -1.156 19660 1652 1 7 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.115 0.031 19660 1653 1 7 . 1 1 3 3 CYS C C 3 174.118 174.118 173.953 0.165 19660 1654 1 7 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.876 -5.909 19660 1655 1 7 . 1 1 3 3 CYS H H 3 9.023 9.023 9.275 -0.252 19660 1656 1 7 . 1 1 4 4 ASN N N 4 119.446 119.446 120.421 -0.975 19660 1657 1 7 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.965 0.067 19660 1658 1 7 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.843 0.517 19660 1659 1 7 . 1 1 4 4 ASN CB C 4 39.627 39.627 39.650 -0.023 19660 1660 1 7 . 1 1 4 4 ASN H H 4 9.225 9.225 8.736 0.489 19660 1661 1 7 . 1 1 5 5 THR N N 5 109.185 109.185 110.673 -1.488 19660 1662 1 7 . 1 1 5 5 THR HA H 5 4.934 4.934 4.803 0.131 19660 1663 1 7 . 1 1 5 5 THR C C 5 176.984 176.984 175.931 1.053 19660 1664 1 7 . 1 1 5 5 THR CA C 5 60.188 60.188 59.942 0.246 19660 1665 1 7 . 1 1 5 5 THR CB C 5 70.286 70.286 72.445 -2.159 19660 1666 1 7 . 1 1 5 5 THR H H 5 7.823 7.823 8.259 -0.436 19660 1667 1 7 . 1 1 6 6 LEU N N 6 123.023 123.023 120.792 2.231 19660 1668 1 7 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.272 -0.299 19660 1669 1 7 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.408 0.215 19660 1670 1 7 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.733 1.159 19660 1671 1 7 . 1 1 6 6 LEU H H 6 8.958 8.958 8.777 0.181 19660 1672 1 7 . 1 1 7 7 ASP N N 7 115.117 115.117 117.588 -2.471 19660 1673 1 7 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.524 0.010 19660 1674 1 7 . 1 1 7 7 ASP C C 7 176.415 176.415 177.114 -0.699 19660 1675 1 7 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.489 -0.749 19660 1676 1 7 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.733 -0.578 19660 1677 1 7 . 1 1 7 7 ASP H H 7 8.258 8.258 7.781 0.477 19660 1678 1 7 . 1 1 8 8 GLY N N 8 106.811 106.811 105.876 0.935 19660 1679 1 7 . 1 1 8 8 GLY C C 8 174.831 174.831 174.847 -0.016 19660 1680 1 7 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.957 0.452 19660 1681 1 7 . 1 1 8 8 GLY H H 8 7.669 7.669 7.771 -0.102 19660 1682 1 7 . 1 1 9 9 GLY N N 9 109.185 109.185 108.824 0.361 19660 1683 1 7 . 1 1 9 9 GLY C C 9 173.522 173.522 172.549 0.973 19660 1684 1 7 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.246 -0.168 19660 1685 1 7 . 1 1 9 9 GLY H H 9 7.501 7.501 7.766 -0.265 19660 1686 1 7 . 1 1 10 10 THR N N 10 109.837 109.837 111.196 -1.359 19660 1687 1 7 . 1 1 10 10 THR HA H 10 5.220 5.220 4.752 0.468 19660 1688 1 7 . 1 1 10 10 THR CA C 10 60.357 60.357 60.595 -0.238 19660 1689 1 7 . 1 1 10 10 THR CB C 10 72.680 72.680 71.199 1.481 19660 1690 1 7 . 1 1 10 10 THR H H 10 8.115 8.115 8.015 0.100 19660 1691 1 7 . 1 1 11 11 GLU N N 11 121.356 121.356 122.775 -1.419 19660 1692 1 7 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.750 -0.124 19660 1693 1 7 . 1 1 11 11 GLU C C 11 174.150 174.150 175.516 -1.366 19660 1694 1 7 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.036 0.633 19660 1695 1 7 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.264 0.080 19660 1696 1 7 . 1 1 11 11 GLU H H 11 9.133 9.133 9.260 -0.127 19660 1697 1 7 . 1 1 12 12 GLU N N 12 125.546 125.546 121.559 3.987 19660 1698 1 7 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.480 -0.014 19660 1699 1 7 . 1 1 12 12 GLU C C 12 176.388 176.388 175.670 0.718 19660 1700 1 7 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.233 0.374 19660 1701 1 7 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.433 0.407 19660 1702 1 7 . 1 1 12 12 GLU H H 12 8.710 8.710 8.614 0.096 19660 1703 1 7 . 1 1 13 13 CYS N N 13 125.853 125.853 125.135 0.718 19660 1704 1 7 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.738 0.179 19660 1705 1 7 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.906 -6.280 19660 1706 1 7 . 1 1 13 13 CYS CB C 13 37.284 37.284 27.011 10.273 19660 1707 1 7 . 1 1 13 13 CYS H H 13 8.840 8.840 8.517 0.323 19660 1708 1 7 . 1 1 14 14 ILE N N 14 127.700 127.700 124.050 3.650 19660 1709 1 7 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.508 -0.216 19660 1710 1 7 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.389 1.997 19660 1711 1 7 . 1 1 14 14 ILE H H 14 8.387 8.387 8.409 -0.022 19660 1712 1 7 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.436 -0.007 19660 1713 1 7 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.160 0.627 19660 1714 1 7 . 1 1 15 15 PRO CB C 15 32.406 32.406 31.232 1.174 19660 1715 1 7 . 1 1 16 16 GLY N N 16 111.774 111.774 113.548 -1.774 19660 1716 1 7 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.201 0.833 19660 1717 1 7 . 1 1 16 16 GLY H H 16 8.752 8.752 7.780 0.972 19660 1718 1 7 . 1 1 17 17 ILE N N 17 118.758 118.758 120.010 -1.252 19660 1719 1 7 . 1 1 17 17 ILE HA H 17 3.970 3.970 3.903 0.067 19660 1720 1 7 . 1 1 17 17 ILE CA C 17 62.088 62.088 62.507 -0.419 19660 1721 1 7 . 1 1 17 17 ILE CB C 17 39.291 39.291 37.644 1.647 19660 1722 1 7 . 1 1 17 17 ILE H H 17 7.527 7.527 7.660 -0.133 19660 1723 1 7 . 1 1 18 18 TYR HA H 18 4.700 4.700 5.007 -0.307 19660 1724 1 7 . 1 1 18 18 TYR CA C 18 57.373 57.373 55.128 2.245 19660 1725 1 7 . 1 1 18 18 TYR CB C 18 39.765 39.765 38.442 1.323 19660 1726 1 7 . 1 1 19 19 ASN N N 19 118.488 118.488 121.435 -2.947 19660 1727 1 7 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.854 -0.106 19660 1728 1 7 . 1 1 19 19 ASN C C 19 174.728 174.728 174.768 -0.040 19660 1729 1 7 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.410 -0.614 19660 1730 1 7 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.107 -1.718 19660 1731 1 7 . 1 1 19 19 ASN H H 19 8.512 8.512 9.104 -0.592 19660 1732 1 7 . 1 1 20 20 VAL N N 20 114.324 114.324 115.597 -1.273 19660 1733 1 7 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.530 0.157 19660 1734 1 7 . 1 1 20 20 VAL C C 20 173.641 173.641 174.035 -0.394 19660 1735 1 7 . 1 1 20 20 VAL CA C 20 60.122 60.122 59.820 0.302 19660 1736 1 7 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.063 1.878 19660 1737 1 7 . 1 1 20 20 VAL H H 20 8.064 8.064 7.913 0.151 19660 1738 1 7 . 1 1 21 21 CYS N N 21 117.375 117.375 117.363 0.012 19660 1739 1 7 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.863 0.668 19660 1740 1 7 . 1 1 21 21 CYS C C 21 169.343 169.343 173.013 -3.670 19660 1741 1 7 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.478 -4.978 19660 1742 1 7 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.641 8.779 19660 1743 1 7 . 1 1 21 21 CYS H H 21 9.308 9.308 8.194 1.114 19660 1744 1 7 . 1 1 22 22 VAL N N 22 118.966 118.966 120.622 -1.656 19660 1745 1 7 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.435 1.044 19660 1746 1 7 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.272 -0.668 19660 1747 1 7 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.169 1.067 19660 1748 1 7 . 1 1 22 22 VAL H H 22 9.168 9.168 8.078 1.090 19660 1749 1 7 . 1 1 23 23 HIS N N 23 127.041 127.041 126.172 0.869 19660 1750 1 7 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.766 0.749 19660 1751 1 7 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.715 -0.477 19660 1752 1 7 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.470 2.932 19660 1753 1 7 . 1 1 23 23 HIS H H 23 9.214 9.214 8.548 0.666 19660 1754 1 7 . 1 1 24 24 TYR N N 24 132.376 132.376 129.563 2.813 19660 1755 1 7 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.477 0.146 19660 1756 1 7 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.109 -0.459 19660 1757 1 7 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.553 1.496 19660 1758 1 7 . 1 1 24 24 TYR H H 24 8.967 8.967 8.739 0.228 19660 1759 1 7 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.438 0.391 19660 1760 1 7 . 1 1 25 25 LYS C C 25 173.479 173.479 174.853 -1.374 19660 1761 1 7 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.369 0.879 19660 1762 1 7 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.264 2.005 19660 1763 1 7 . 1 1 25 25 LYS H H 25 8.028 8.028 8.194 -0.166 19660 1764 1 7 . 1 1 26 26 SER N N 26 125.633 125.633 121.301 4.332 19660 1765 1 7 . 1 1 26 26 SER HA H 26 4.959 4.959 4.687 0.272 19660 1766 1 7 . 1 1 26 26 SER C C 26 174.081 174.081 173.693 0.388 19660 1767 1 7 . 1 1 26 26 SER CA C 26 56.012 56.012 57.278 -1.266 19660 1768 1 7 . 1 1 26 26 SER CB C 26 66.581 66.581 65.930 0.651 19660 1769 1 7 . 1 1 26 26 SER H H 26 9.314 9.314 8.722 0.592 19660 1770 1 7 . 1 1 27 27 GLU N N 27 118.790 118.790 121.806 -3.016 19660 1771 1 7 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.197 -0.121 19660 1772 1 7 . 1 1 27 27 GLU CA C 27 59.149 59.149 58.181 0.968 19660 1773 1 7 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.799 -0.287 19660 1774 1 7 . 1 1 27 27 GLU H H 27 8.848 8.848 8.647 0.201 19660 1775 1 7 . 1 1 28 28 ASP N N 28 114.555 114.555 119.729 -5.174 19660 1776 1 7 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.677 0.141 19660 1777 1 7 . 1 1 28 28 ASP C C 28 175.500 175.500 175.444 0.056 19660 1778 1 7 . 1 1 28 28 ASP CA C 28 54.565 54.565 55.072 -0.507 19660 1779 1 7 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.470 1.812 19660 1780 1 7 . 1 1 28 28 ASP H H 28 8.145 8.145 8.289 -0.144 19660 1781 1 7 . 1 1 29 29 GLU N N 29 119.483 119.483 117.009 2.474 19660 1782 1 7 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.592 0.193 19660 1783 1 7 . 1 1 29 29 GLU C C 29 173.282 173.282 174.140 -0.858 19660 1784 1 7 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.444 0.228 19660 1785 1 7 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.917 0.953 19660 1786 1 7 . 1 1 29 29 GLU H H 29 7.774 7.774 7.894 -0.120 19660 1787 1 7 . 1 1 30 30 GLU N N 30 122.376 122.376 121.131 1.245 19660 1788 1 7 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.880 0.603 19660 1789 1 7 . 1 1 30 30 GLU C C 30 174.486 174.486 174.681 -0.195 19660 1790 1 7 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.126 -1.074 19660 1791 1 7 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.409 0.444 19660 1792 1 7 . 1 1 30 30 GLU H H 30 8.419 8.419 8.636 -0.217 19660 1793 1 7 . 1 1 31 31 TYR N N 31 119.914 119.914 121.202 -1.288 19660 1794 1 7 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.948 0.042 19660 1795 1 7 . 1 1 31 31 TYR C C 31 173.240 173.240 172.875 0.365 19660 1796 1 7 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.741 0.617 19660 1797 1 7 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.245 0.514 19660 1798 1 7 . 1 1 31 31 TYR H H 31 9.089 9.089 8.678 0.411 19660 1799 1 7 . 1 1 32 32 LYS N N 32 121.363 121.363 120.565 0.798 19660 1800 1 7 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.888 0.568 19660 1801 1 7 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.153 -0.219 19660 1802 1 7 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.701 1.641 19660 1803 1 7 . 1 1 32 32 LYS H H 32 8.643 8.643 8.502 0.141 19660 1804 1 7 . 1 1 33 33 SER N N 33 113.477 113.477 116.975 -3.498 19660 1805 1 7 . 1 1 33 33 SER HA H 33 4.599 4.599 4.737 -0.138 19660 1806 1 7 . 1 1 33 33 SER C C 33 174.210 174.210 172.412 1.798 19660 1807 1 7 . 1 1 33 33 SER CA C 33 58.123 58.123 58.469 -0.346 19660 1808 1 7 . 1 1 33 33 SER CB C 33 66.263 66.263 65.008 1.255 19660 1809 1 7 . 1 1 33 33 SER H H 33 8.151 8.151 8.148 0.003 19660 1810 1 7 . 1 1 34 34 CYS N N 34 118.998 118.998 122.439 -3.441 19660 1811 1 7 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.635 0.659 19660 1812 1 7 . 1 1 34 34 CYS C C 34 175.636 175.636 173.312 2.324 19660 1813 1 7 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.492 -0.764 19660 1814 1 7 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.962 15.552 19660 1815 1 7 . 1 1 34 34 CYS H H 34 8.652 8.652 8.585 0.067 19660 1816 1 7 . 1 1 35 35 GLY N N 35 112.013 112.013 108.410 3.603 19660 1817 1 7 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.889 0.033 19660 1818 1 7 . 1 1 35 35 GLY H H 35 9.451 9.451 8.486 0.965 19660 1819 1 7 . 1 1 36 36 ILE N N 36 118.738 118.738 120.475 -1.737 19660 1820 1 7 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.618 0.233 19660 1821 1 7 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.052 0.825 19660 1822 1 7 . 1 1 36 36 ILE H H 36 8.576 8.576 8.017 0.559 19660 1823 1 7 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.853 0.094 19660 1824 1 7 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.125 0.140 19660 1825 1 7 . 1 1 38 38 GLU N N 38 117.838 117.838 117.015 0.823 19660 1826 1 7 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.033 0.021 19660 1827 1 7 . 1 1 38 38 GLU C C 38 177.610 177.610 177.490 0.120 19660 1828 1 7 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.275 0.556 19660 1829 1 7 . 1 1 38 38 GLU H H 38 9.140 9.140 8.657 0.483 19660 1830 1 7 . 1 1 39 39 GLU N N 39 117.727 117.727 117.441 0.286 19660 1831 1 7 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.318 0.044 19660 1832 1 7 . 1 1 39 39 GLU C C 39 177.387 177.387 179.069 -1.682 19660 1833 1 7 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.039 -0.882 19660 1834 1 7 . 1 1 39 39 GLU CB C 39 29.808 29.808 29.986 -0.178 19660 1835 1 7 . 1 1 39 39 GLU H H 39 7.933 7.933 7.844 0.089 19660 1836 1 7 . 1 1 40 40 CYS N N 40 117.847 117.847 120.236 -2.389 19660 1837 1 7 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.271 0.101 19660 1838 1 7 . 1 1 40 40 CYS C C 40 174.430 174.430 176.712 -2.282 19660 1839 1 7 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.822 -4.035 19660 1840 1 7 . 1 1 40 40 CYS CB C 40 44.304 44.304 26.716 17.588 19660 1841 1 7 . 1 1 40 40 CYS H H 40 7.745 7.745 8.551 -0.806 19660 1842 1 7 . 1 1 41 41 GLU N N 41 120.521 120.521 119.223 1.298 19660 1843 1 7 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.129 0.209 19660 1844 1 7 . 1 1 41 41 GLU CA C 41 56.224 56.224 57.901 -1.677 19660 1845 1 7 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.299 1.802 19660 1846 1 7 . 1 1 41 41 GLU H H 41 7.680 7.680 8.253 -0.573 19660 1847 1 7 . 1 1 42 42 ASP N N 42 121.236 121.236 119.175 2.061 19660 1848 1 7 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.425 0.167 19660 1849 1 7 . 1 1 42 42 ASP CA C 42 54.574 54.574 55.741 -1.167 19660 1850 1 7 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.931 0.263 19660 1851 1 7 . 1 1 42 42 ASP H H 42 8.254 8.254 7.319 0.935 19660 1852 1 7 . 1 1 43 43 ALA N N 43 124.610 124.610 122.565 2.045 19660 1853 1 7 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.286 0.194 19660 1854 1 7 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.438 -0.452 19660 1855 1 7 . 1 1 43 43 ALA CB C 43 20.651 20.651 19.746 0.905 19660 1856 1 7 . 1 1 43 43 ALA H H 43 8.104 8.104 7.304 0.800 19660 1857 1 7 . 1 1 44 44 GLU N N 44 121.280 121.280 122.564 -1.284 19660 1858 1 7 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.250 -0.023 19660 1859 1 7 . 1 1 44 44 GLU CA C 44 57.213 57.213 56.252 0.961 19660 1860 1 7 . 1 1 44 44 GLU H H 44 8.565 8.565 8.502 0.063 19660 1861 1 7 . 1 1 45 45 GLY N N 45 111.878 111.878 112.648 -0.770 19660 1862 1 7 . 1 1 45 45 GLY CA C 45 45.797 45.797 45.146 0.651 19660 1863 1 7 . 1 1 45 45 GLY H H 45 8.749 8.749 9.074 -0.325 19660 1864 1 7 . 1 1 46 46 ALA N N 46 122.249 122.249 122.672 -0.423 19660 1865 1 7 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.639 -0.083 19660 1866 1 7 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.403 -0.154 19660 1867 1 7 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.443 0.905 19660 1868 1 7 . 1 1 46 46 ALA H H 46 7.818 7.818 7.715 0.103 19660 1869 1 7 . 1 1 47 47 THR N N 47 116.571 116.571 114.271 2.300 19660 1870 1 7 . 1 1 47 47 THR HA H 47 4.305 4.305 4.535 -0.230 19660 1871 1 7 . 1 1 47 47 THR CA C 47 61.924 61.924 61.394 0.530 19660 1872 1 7 . 1 1 47 47 THR H H 47 8.387 8.387 8.203 0.184 19660 1873 1 7 . 1 1 48 48 VAL N N 48 127.683 127.683 126.931 0.752 19660 1874 1 7 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.372 0.261 19660 1875 1 7 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.652 1.683 19660 1876 1 7 . 1 1 48 48 VAL H H 48 8.695 8.695 8.415 0.280 19660 1877 1 7 . 1 1 49 49 LEU N N 49 129.662 129.662 128.212 1.450 19660 1878 1 7 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.660 0.062 19660 1879 1 7 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.392 -0.582 19660 1880 1 7 . 1 1 49 49 LEU CB C 49 44.590 44.590 43.998 0.592 19660 1881 1 7 . 1 1 49 49 LEU H H 49 8.594 8.594 8.277 0.317 19660 1882 1 7 . 1 1 50 50 CYS N N 50 123.551 123.551 123.566 -0.015 19660 1883 1 7 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.772 0.967 19660 1884 1 7 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.588 -3.299 19660 1885 1 7 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.522 17.902 19660 1886 1 7 . 1 1 50 50 CYS H H 50 8.910 8.910 8.276 0.634 19660 1887 1 7 . 1 1 51 51 CYS N N 51 119.604 119.604 125.887 -6.283 19660 1888 1 7 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.859 0.510 19660 1889 1 7 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.718 -4.119 19660 1890 1 7 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.789 17.715 19660 1891 1 7 . 1 1 51 51 CYS H H 51 9.281 9.281 9.007 0.274 19660 1892 1 7 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.321 0.657 19660 1893 1 7 . 1 1 52 52 PRO C C 52 175.082 175.082 176.463 -1.381 19660 1894 1 7 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.670 0.764 19660 1895 1 7 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.173 0.261 19660 1896 1 7 . 1 1 53 53 GLU N N 53 121.348 121.348 119.278 2.070 19660 1897 1 7 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.418 0.133 19660 1898 1 7 . 1 1 53 53 GLU C C 53 174.317 174.317 175.888 -1.571 19660 1899 1 7 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.159 0.546 19660 1900 1 7 . 1 1 53 53 GLU CB C 53 32.075 32.075 31.027 1.048 19660 1901 1 7 . 1 1 53 53 GLU H H 53 7.232 7.232 7.823 -0.591 19660 1902 1 7 . 1 1 54 54 ASP N N 54 118.893 118.893 117.237 1.656 19660 1903 1 7 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.582 0.288 19660 1904 1 7 . 1 1 54 54 ASP C C 54 177.950 177.950 176.257 1.693 19660 1905 1 7 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.438 2.112 19660 1906 1 7 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.558 0.029 19660 1907 1 7 . 1 1 54 54 ASP H H 54 8.230 8.230 8.359 -0.129 19660 1908 1 7 . 1 1 55 55 LEU N N 55 113.945 113.945 118.606 -4.661 19660 1909 1 7 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.828 -0.138 19660 1910 1 7 . 1 1 55 55 LEU C C 55 176.734 176.734 176.533 0.201 19660 1911 1 7 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.277 0.369 19660 1912 1 7 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.430 -1.736 19660 1913 1 7 . 1 1 55 55 LEU H H 55 9.462 9.462 8.798 0.664 19660 1914 1 7 . 1 1 56 56 CYS N N 56 112.784 112.784 119.218 -6.434 19660 1915 1 7 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.445 0.069 19660 1916 1 7 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.137 -1.216 19660 1917 1 7 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.832 18.896 19660 1918 1 7 . 1 1 56 56 CYS H H 56 7.647 7.647 9.059 -1.412 19660 1919 1 8 . 1 1 2 2 GLN N N 2 125.663 125.663 120.050 5.613 19660 1920 1 8 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.049 0.349 19660 1921 1 8 . 1 1 2 2 GLN C C 2 174.668 174.668 174.835 -0.167 19660 1922 1 8 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.951 -1.179 19660 1923 1 8 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.182 -1.159 19660 1924 1 8 . 1 1 2 2 GLN H H 2 8.383 8.383 8.519 -0.136 19660 1925 1 8 . 1 1 3 3 CYS N N 3 118.829 118.829 120.093 -1.264 19660 1926 1 8 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.102 0.044 19660 1927 1 8 . 1 1 3 3 CYS C C 3 174.118 174.118 173.901 0.217 19660 1928 1 8 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.850 -5.883 19660 1929 1 8 . 1 1 3 3 CYS H H 3 9.023 9.023 9.289 -0.266 19660 1930 1 8 . 1 1 4 4 ASN N N 4 119.446 119.446 120.438 -0.992 19660 1931 1 8 . 1 1 4 4 ASN HA H 4 5.032 5.032 5.275 -0.243 19660 1932 1 8 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.432 0.928 19660 1933 1 8 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.365 -0.738 19660 1934 1 8 . 1 1 4 4 ASN H H 4 9.225 9.225 8.517 0.708 19660 1935 1 8 . 1 1 5 5 THR N N 5 109.185 109.185 109.559 -0.374 19660 1936 1 8 . 1 1 5 5 THR HA H 5 4.934 4.934 4.878 0.057 19660 1937 1 8 . 1 1 5 5 THR C C 5 176.984 176.984 176.202 0.782 19660 1938 1 8 . 1 1 5 5 THR CA C 5 60.188 60.188 59.524 0.664 19660 1939 1 8 . 1 1 5 5 THR CB C 5 70.286 70.286 72.426 -2.140 19660 1940 1 8 . 1 1 5 5 THR H H 5 7.823 7.823 8.123 -0.300 19660 1941 1 8 . 1 1 6 6 LEU N N 6 123.023 123.023 119.828 3.195 19660 1942 1 8 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.328 -0.355 19660 1943 1 8 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.748 -0.124 19660 1944 1 8 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.672 1.220 19660 1945 1 8 . 1 1 6 6 LEU H H 6 8.958 8.958 8.928 0.030 19660 1946 1 8 . 1 1 7 7 ASP N N 7 115.117 115.117 119.047 -3.930 19660 1947 1 8 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.541 -0.007 19660 1948 1 8 . 1 1 7 7 ASP C C 7 176.415 176.415 177.177 -0.762 19660 1949 1 8 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.385 -0.645 19660 1950 1 8 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.704 -0.549 19660 1951 1 8 . 1 1 7 7 ASP H H 7 8.258 8.258 7.801 0.457 19660 1952 1 8 . 1 1 8 8 GLY N N 8 106.811 106.811 107.586 -0.775 19660 1953 1 8 . 1 1 8 8 GLY C C 8 174.831 174.831 175.017 -0.186 19660 1954 1 8 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.083 0.326 19660 1955 1 8 . 1 1 8 8 GLY H H 8 7.669 7.669 7.841 -0.172 19660 1956 1 8 . 1 1 9 9 GLY N N 9 109.185 109.185 107.958 1.227 19660 1957 1 8 . 1 1 9 9 GLY C C 9 173.522 173.522 173.321 0.201 19660 1958 1 8 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.320 -0.242 19660 1959 1 8 . 1 1 9 9 GLY H H 9 7.501 7.501 8.018 -0.517 19660 1960 1 8 . 1 1 10 10 THR N N 10 109.837 109.837 111.896 -2.059 19660 1961 1 8 . 1 1 10 10 THR HA H 10 5.220 5.220 4.875 0.345 19660 1962 1 8 . 1 1 10 10 THR CA C 10 60.357 60.357 60.816 -0.460 19660 1963 1 8 . 1 1 10 10 THR CB C 10 72.680 72.680 71.083 1.597 19660 1964 1 8 . 1 1 10 10 THR H H 10 8.115 8.115 8.051 0.064 19660 1965 1 8 . 1 1 11 11 GLU N N 11 121.356 121.356 123.428 -2.072 19660 1966 1 8 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.742 -0.116 19660 1967 1 8 . 1 1 11 11 GLU C C 11 174.150 174.150 175.332 -1.182 19660 1968 1 8 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.852 -0.183 19660 1969 1 8 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.985 -0.641 19660 1970 1 8 . 1 1 11 11 GLU H H 11 9.133 9.133 9.132 0.001 19660 1971 1 8 . 1 1 12 12 GLU N N 12 125.546 125.546 121.458 4.088 19660 1972 1 8 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.582 -0.116 19660 1973 1 8 . 1 1 12 12 GLU C C 12 176.388 176.388 175.789 0.599 19660 1974 1 8 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.626 -0.019 19660 1975 1 8 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.878 -0.038 19660 1976 1 8 . 1 1 12 12 GLU H H 12 8.710 8.710 8.675 0.035 19660 1977 1 8 . 1 1 13 13 CYS N N 13 125.853 125.853 125.401 0.452 19660 1978 1 8 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.910 0.007 19660 1979 1 8 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.805 -6.179 19660 1980 1 8 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.832 10.452 19660 1981 1 8 . 1 1 13 13 CYS H H 13 8.840 8.840 8.434 0.406 19660 1982 1 8 . 1 1 14 14 ILE N N 14 127.700 127.700 123.805 3.895 19660 1983 1 8 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.572 -0.280 19660 1984 1 8 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.860 1.526 19660 1985 1 8 . 1 1 14 14 ILE H H 14 8.387 8.387 8.485 -0.098 19660 1986 1 8 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.432 -0.003 19660 1987 1 8 . 1 1 15 15 PRO CA C 15 63.787 63.787 64.909 -1.122 19660 1988 1 8 . 1 1 15 15 PRO CB C 15 32.406 32.406 31.635 0.771 19660 1989 1 8 . 1 1 16 16 GLY N N 16 111.774 111.774 106.252 5.522 19660 1990 1 8 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.512 0.522 19660 1991 1 8 . 1 1 16 16 GLY H H 16 8.752 8.752 8.520 0.232 19660 1992 1 8 . 1 1 17 17 ILE N N 17 118.758 118.758 117.142 1.616 19660 1993 1 8 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.138 -0.168 19660 1994 1 8 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.498 0.590 19660 1995 1 8 . 1 1 17 17 ILE CB C 17 39.291 39.291 39.516 -0.225 19660 1996 1 8 . 1 1 17 17 ILE H H 17 7.527 7.527 7.282 0.245 19660 1997 1 8 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.573 0.127 19660 1998 1 8 . 1 1 18 18 TYR CA C 18 57.373 57.373 57.413 -0.040 19660 1999 1 8 . 1 1 18 18 TYR CB C 18 39.765 39.765 36.385 3.380 19660 2000 1 8 . 1 1 19 19 ASN N N 19 118.488 118.488 120.201 -1.713 19660 2001 1 8 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.818 -0.070 19660 2002 1 8 . 1 1 19 19 ASN C C 19 174.728 174.728 175.224 -0.496 19660 2003 1 8 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.347 -0.551 19660 2004 1 8 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.303 -1.914 19660 2005 1 8 . 1 1 19 19 ASN H H 19 8.512 8.512 8.752 -0.240 19660 2006 1 8 . 1 1 20 20 VAL N N 20 114.324 114.324 114.357 -0.033 19660 2007 1 8 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.581 0.106 19660 2008 1 8 . 1 1 20 20 VAL C C 20 173.641 173.641 173.879 -0.238 19660 2009 1 8 . 1 1 20 20 VAL CA C 20 60.122 60.122 59.947 0.175 19660 2010 1 8 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.316 1.625 19660 2011 1 8 . 1 1 20 20 VAL H H 20 8.064 8.064 7.926 0.138 19660 2012 1 8 . 1 1 21 21 CYS N N 21 117.375 117.375 117.610 -0.235 19660 2013 1 8 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.852 0.679 19660 2014 1 8 . 1 1 21 21 CYS C C 21 169.343 169.343 172.732 -3.389 19660 2015 1 8 . 1 1 21 21 CYS CA C 21 52.500 52.500 58.037 -5.537 19660 2016 1 8 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.648 8.772 19660 2017 1 8 . 1 1 21 21 CYS H H 21 9.308 9.308 8.274 1.034 19660 2018 1 8 . 1 1 22 22 VAL N N 22 118.966 118.966 120.730 -1.764 19660 2019 1 8 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.436 1.043 19660 2020 1 8 . 1 1 22 22 VAL CA C 22 60.604 60.604 60.884 -0.280 19660 2021 1 8 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.271 0.966 19660 2022 1 8 . 1 1 22 22 VAL H H 22 9.168 9.168 8.041 1.127 19660 2023 1 8 . 1 1 23 23 HIS N N 23 127.041 127.041 126.221 0.820 19660 2024 1 8 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.767 0.748 19660 2025 1 8 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.334 -0.096 19660 2026 1 8 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.921 2.481 19660 2027 1 8 . 1 1 23 23 HIS H H 23 9.214 9.214 8.467 0.747 19660 2028 1 8 . 1 1 24 24 TYR N N 24 132.376 132.376 129.479 2.897 19660 2029 1 8 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.430 0.193 19660 2030 1 8 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.088 -0.438 19660 2031 1 8 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.461 1.587 19660 2032 1 8 . 1 1 24 24 TYR H H 24 8.967 8.967 8.931 0.036 19660 2033 1 8 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.428 0.401 19660 2034 1 8 . 1 1 25 25 LYS C C 25 173.479 173.479 174.993 -1.514 19660 2035 1 8 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.429 0.819 19660 2036 1 8 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.375 1.894 19660 2037 1 8 . 1 1 25 25 LYS H H 25 8.028 8.028 8.189 -0.161 19660 2038 1 8 . 1 1 26 26 SER N N 26 125.633 125.633 120.760 4.873 19660 2039 1 8 . 1 1 26 26 SER HA H 26 4.959 4.959 4.721 0.238 19660 2040 1 8 . 1 1 26 26 SER C C 26 174.081 174.081 173.679 0.402 19660 2041 1 8 . 1 1 26 26 SER CA C 26 56.012 56.012 57.308 -1.296 19660 2042 1 8 . 1 1 26 26 SER CB C 26 66.581 66.581 66.121 0.460 19660 2043 1 8 . 1 1 26 26 SER H H 26 9.314 9.314 8.693 0.621 19660 2044 1 8 . 1 1 27 27 GLU N N 27 118.790 118.790 121.151 -2.361 19660 2045 1 8 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.173 -0.097 19660 2046 1 8 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.837 1.312 19660 2047 1 8 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.726 -0.214 19660 2048 1 8 . 1 1 27 27 GLU H H 27 8.848 8.848 8.621 0.227 19660 2049 1 8 . 1 1 28 28 ASP N N 28 114.555 114.555 119.054 -4.499 19660 2050 1 8 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.675 0.143 19660 2051 1 8 . 1 1 28 28 ASP C C 28 175.500 175.500 175.540 -0.040 19660 2052 1 8 . 1 1 28 28 ASP CA C 28 54.565 54.565 55.035 -0.470 19660 2053 1 8 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.706 1.576 19660 2054 1 8 . 1 1 28 28 ASP H H 28 8.145 8.145 8.222 -0.077 19660 2055 1 8 . 1 1 29 29 GLU N N 29 119.483 119.483 117.953 1.530 19660 2056 1 8 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.593 0.192 19660 2057 1 8 . 1 1 29 29 GLU C C 29 173.282 173.282 173.948 -0.666 19660 2058 1 8 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.508 0.163 19660 2059 1 8 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.554 1.316 19660 2060 1 8 . 1 1 29 29 GLU H H 29 7.774 7.774 7.951 -0.177 19660 2061 1 8 . 1 1 30 30 GLU N N 30 122.376 122.376 121.388 0.988 19660 2062 1 8 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.911 0.572 19660 2063 1 8 . 1 1 30 30 GLU C C 30 174.486 174.486 174.701 -0.215 19660 2064 1 8 . 1 1 30 30 GLU CA C 30 55.052 55.052 55.984 -0.932 19660 2065 1 8 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.211 0.642 19660 2066 1 8 . 1 1 30 30 GLU H H 30 8.419 8.419 8.613 -0.194 19660 2067 1 8 . 1 1 31 31 TYR N N 31 119.914 119.914 121.973 -2.059 19660 2068 1 8 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.991 -0.001 19660 2069 1 8 . 1 1 31 31 TYR C C 31 173.240 173.240 173.011 0.229 19660 2070 1 8 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.420 0.938 19660 2071 1 8 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.395 -0.636 19660 2072 1 8 . 1 1 31 31 TYR H H 31 9.089 9.089 8.727 0.362 19660 2073 1 8 . 1 1 32 32 LYS N N 32 121.363 121.363 120.541 0.822 19660 2074 1 8 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.841 0.615 19660 2075 1 8 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.069 -0.135 19660 2076 1 8 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.856 1.486 19660 2077 1 8 . 1 1 32 32 LYS H H 32 8.643 8.643 8.525 0.118 19660 2078 1 8 . 1 1 33 33 SER N N 33 113.477 113.477 117.962 -4.485 19660 2079 1 8 . 1 1 33 33 SER HA H 33 4.599 4.599 4.745 -0.146 19660 2080 1 8 . 1 1 33 33 SER C C 33 174.210 174.210 172.287 1.923 19660 2081 1 8 . 1 1 33 33 SER CA C 33 58.123 58.123 58.301 -0.178 19660 2082 1 8 . 1 1 33 33 SER CB C 33 66.263 66.263 65.412 0.851 19660 2083 1 8 . 1 1 33 33 SER H H 33 8.151 8.151 8.168 -0.016 19660 2084 1 8 . 1 1 34 34 CYS N N 34 118.998 118.998 122.253 -3.255 19660 2085 1 8 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.585 0.709 19660 2086 1 8 . 1 1 34 34 CYS C C 34 175.636 175.636 173.230 2.406 19660 2087 1 8 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.341 -0.613 19660 2088 1 8 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.207 15.307 19660 2089 1 8 . 1 1 34 34 CYS H H 34 8.652 8.652 8.520 0.132 19660 2090 1 8 . 1 1 35 35 GLY N N 35 112.013 112.013 108.439 3.574 19660 2091 1 8 . 1 1 35 35 GLY CA C 35 45.922 45.922 46.025 -0.103 19660 2092 1 8 . 1 1 35 35 GLY H H 35 9.451 9.451 8.452 0.999 19660 2093 1 8 . 1 1 36 36 ILE N N 36 118.738 118.738 119.300 -0.562 19660 2094 1 8 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.766 0.085 19660 2095 1 8 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.928 0.949 19660 2096 1 8 . 1 1 36 36 ILE H H 36 8.576 8.576 8.126 0.450 19660 2097 1 8 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.904 0.043 19660 2098 1 8 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.412 -0.147 19660 2099 1 8 . 1 1 38 38 GLU N N 38 117.838 117.838 117.384 0.454 19660 2100 1 8 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.031 0.023 19660 2101 1 8 . 1 1 38 38 GLU C C 38 177.610 177.610 177.257 0.353 19660 2102 1 8 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.038 0.794 19660 2103 1 8 . 1 1 38 38 GLU H H 38 9.140 9.140 8.519 0.621 19660 2104 1 8 . 1 1 39 39 GLU N N 39 117.727 117.727 116.311 1.416 19660 2105 1 8 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.280 0.082 19660 2106 1 8 . 1 1 39 39 GLU C C 39 177.387 177.387 177.818 -0.431 19660 2107 1 8 . 1 1 39 39 GLU CA C 39 57.157 57.157 57.998 -0.841 19660 2108 1 8 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.282 -0.473 19660 2109 1 8 . 1 1 39 39 GLU H H 39 7.933 7.933 7.845 0.088 19660 2110 1 8 . 1 1 40 40 CYS N N 40 117.847 117.847 119.832 -1.985 19660 2111 1 8 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.349 0.023 19660 2112 1 8 . 1 1 40 40 CYS C C 40 174.430 174.430 176.834 -2.404 19660 2113 1 8 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.304 -3.517 19660 2114 1 8 . 1 1 40 40 CYS CB C 40 44.304 44.304 27.224 17.080 19660 2115 1 8 . 1 1 40 40 CYS H H 40 7.745 7.745 8.435 -0.690 19660 2116 1 8 . 1 1 41 41 GLU N N 41 120.521 120.521 120.162 0.359 19660 2117 1 8 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.048 0.290 19660 2118 1 8 . 1 1 41 41 GLU CA C 41 56.224 56.224 58.412 -2.188 19660 2119 1 8 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.336 1.764 19660 2120 1 8 . 1 1 41 41 GLU H H 41 7.680 7.680 7.974 -0.294 19660 2121 1 8 . 1 1 42 42 ASP N N 42 121.236 121.236 118.687 2.549 19660 2122 1 8 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.397 0.195 19660 2123 1 8 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.130 -1.556 19660 2124 1 8 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.853 0.341 19660 2125 1 8 . 1 1 42 42 ASP H H 42 8.254 8.254 7.477 0.777 19660 2126 1 8 . 1 1 43 43 ALA N N 43 124.610 124.610 122.336 2.274 19660 2127 1 8 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.274 0.206 19660 2128 1 8 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.363 -0.377 19660 2129 1 8 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.961 1.690 19660 2130 1 8 . 1 1 43 43 ALA H H 43 8.104 8.104 7.356 0.748 19660 2131 1 8 . 1 1 44 44 GLU N N 44 121.280 121.280 124.903 -3.623 19660 2132 1 8 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.290 -0.063 19660 2133 1 8 . 1 1 44 44 GLU CA C 44 57.213 57.213 56.480 0.733 19660 2134 1 8 . 1 1 44 44 GLU H H 44 8.565 8.565 8.448 0.117 19660 2135 1 8 . 1 1 45 45 GLY N N 45 111.878 111.878 115.081 -3.203 19660 2136 1 8 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.774 1.023 19660 2137 1 8 . 1 1 45 45 GLY H H 45 8.749 8.749 8.909 -0.160 19660 2138 1 8 . 1 1 46 46 ALA N N 46 122.249 122.249 124.758 -2.509 19660 2139 1 8 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.464 0.092 19660 2140 1 8 . 1 1 46 46 ALA CA C 46 51.249 51.249 52.145 -0.896 19660 2141 1 8 . 1 1 46 46 ALA CB C 46 21.348 21.348 19.714 1.634 19660 2142 1 8 . 1 1 46 46 ALA H H 46 7.818 7.818 8.051 -0.233 19660 2143 1 8 . 1 1 47 47 THR N N 47 116.571 116.571 115.359 1.212 19660 2144 1 8 . 1 1 47 47 THR HA H 47 4.305 4.305 4.502 -0.197 19660 2145 1 8 . 1 1 47 47 THR CA C 47 61.924 61.924 61.307 0.617 19660 2146 1 8 . 1 1 47 47 THR H H 47 8.387 8.387 8.171 0.216 19660 2147 1 8 . 1 1 48 48 VAL N N 48 127.683 127.683 127.199 0.484 19660 2148 1 8 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.339 0.294 19660 2149 1 8 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.591 1.744 19660 2150 1 8 . 1 1 48 48 VAL H H 48 8.695 8.695 8.413 0.282 19660 2151 1 8 . 1 1 49 49 LEU N N 49 129.662 129.662 128.339 1.323 19660 2152 1 8 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.624 0.098 19660 2153 1 8 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.396 -0.586 19660 2154 1 8 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.103 0.487 19660 2155 1 8 . 1 1 49 49 LEU H H 49 8.594 8.594 8.250 0.344 19660 2156 1 8 . 1 1 50 50 CYS N N 50 123.551 123.551 123.618 -0.067 19660 2157 1 8 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.768 0.971 19660 2158 1 8 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.611 -3.322 19660 2159 1 8 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.447 17.977 19660 2160 1 8 . 1 1 50 50 CYS H H 50 8.910 8.910 8.281 0.629 19660 2161 1 8 . 1 1 51 51 CYS N N 51 119.604 119.604 125.952 -6.348 19660 2162 1 8 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.861 0.508 19660 2163 1 8 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.733 -4.134 19660 2164 1 8 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.765 17.739 19660 2165 1 8 . 1 1 51 51 CYS H H 51 9.281 9.281 8.998 0.283 19660 2166 1 8 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.285 0.693 19660 2167 1 8 . 1 1 52 52 PRO C C 52 175.082 175.082 176.691 -1.609 19660 2168 1 8 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.757 0.677 19660 2169 1 8 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.277 0.157 19660 2170 1 8 . 1 1 53 53 GLU N N 53 121.348 121.348 119.076 2.272 19660 2171 1 8 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.455 0.096 19660 2172 1 8 . 1 1 53 53 GLU C C 53 174.317 174.317 174.825 -0.508 19660 2173 1 8 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.409 0.296 19660 2174 1 8 . 1 1 53 53 GLU CB C 53 32.075 32.075 31.427 0.648 19660 2175 1 8 . 1 1 53 53 GLU H H 53 7.232 7.232 7.879 -0.647 19660 2176 1 8 . 1 1 54 54 ASP N N 54 118.893 118.893 117.856 1.037 19660 2177 1 8 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.574 0.296 19660 2178 1 8 . 1 1 54 54 ASP C C 54 177.950 177.950 176.278 1.672 19660 2179 1 8 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.254 2.296 19660 2180 1 8 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.548 0.039 19660 2181 1 8 . 1 1 54 54 ASP H H 54 8.230 8.230 8.400 -0.170 19660 2182 1 8 . 1 1 55 55 LEU N N 55 113.945 113.945 118.675 -4.730 19660 2183 1 8 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.837 -0.147 19660 2184 1 8 . 1 1 55 55 LEU C C 55 176.734 176.734 176.553 0.181 19660 2185 1 8 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.351 0.295 19660 2186 1 8 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.508 -1.814 19660 2187 1 8 . 1 1 55 55 LEU H H 55 9.462 9.462 8.734 0.728 19660 2188 1 8 . 1 1 56 56 CYS N N 56 112.784 112.784 119.096 -6.312 19660 2189 1 8 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.437 0.077 19660 2190 1 8 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.047 -1.126 19660 2191 1 8 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.911 18.817 19660 2192 1 8 . 1 1 56 56 CYS H H 56 7.647 7.647 9.044 -1.397 19660 2193 1 9 . 1 1 2 2 GLN N N 2 125.663 125.663 120.085 5.578 19660 2194 1 9 . 1 1 2 2 GLN HA H 2 5.398 5.398 4.993 0.405 19660 2195 1 9 . 1 1 2 2 GLN C C 2 174.668 174.668 174.759 -0.091 19660 2196 1 9 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.934 -1.161 19660 2197 1 9 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.257 -1.234 19660 2198 1 9 . 1 1 2 2 GLN H H 2 8.383 8.383 8.516 -0.133 19660 2199 1 9 . 1 1 3 3 CYS N N 3 118.829 118.829 120.125 -1.296 19660 2200 1 9 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.119 0.027 19660 2201 1 9 . 1 1 3 3 CYS C C 3 174.118 174.118 174.158 -0.040 19660 2202 1 9 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.948 -5.981 19660 2203 1 9 . 1 1 3 3 CYS H H 3 9.023 9.023 9.304 -0.281 19660 2204 1 9 . 1 1 4 4 ASN N N 4 119.446 119.446 120.800 -1.354 19660 2205 1 9 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.896 0.136 19660 2206 1 9 . 1 1 4 4 ASN CA C 4 54.360 54.360 54.078 0.282 19660 2207 1 9 . 1 1 4 4 ASN CB C 4 39.627 39.627 39.919 -0.292 19660 2208 1 9 . 1 1 4 4 ASN H H 4 9.225 9.225 8.852 0.373 19660 2209 1 9 . 1 1 5 5 THR N N 5 109.185 109.185 108.471 0.714 19660 2210 1 9 . 1 1 5 5 THR HA H 5 4.934 4.934 4.849 0.085 19660 2211 1 9 . 1 1 5 5 THR C C 5 176.984 176.984 176.361 0.623 19660 2212 1 9 . 1 1 5 5 THR CA C 5 60.188 60.188 59.422 0.766 19660 2213 1 9 . 1 1 5 5 THR CB C 5 70.286 70.286 72.478 -2.192 19660 2214 1 9 . 1 1 5 5 THR H H 5 7.823 7.823 8.137 -0.314 19660 2215 1 9 . 1 1 6 6 LEU N N 6 123.023 123.023 118.959 4.064 19660 2216 1 9 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.315 -0.342 19660 2217 1 9 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.249 0.375 19660 2218 1 9 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.899 0.993 19660 2219 1 9 . 1 1 6 6 LEU H H 6 8.958 8.958 8.756 0.202 19660 2220 1 9 . 1 1 7 7 ASP N N 7 115.117 115.117 117.661 -2.544 19660 2221 1 9 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.559 -0.025 19660 2222 1 9 . 1 1 7 7 ASP C C 7 176.415 176.415 177.037 -0.622 19660 2223 1 9 . 1 1 7 7 ASP CA C 7 53.740 53.740 53.955 -0.214 19660 2224 1 9 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.476 -0.321 19660 2225 1 9 . 1 1 7 7 ASP H H 7 8.258 8.258 7.790 0.468 19660 2226 1 9 . 1 1 8 8 GLY N N 8 106.811 106.811 106.156 0.655 19660 2227 1 9 . 1 1 8 8 GLY C C 8 174.831 174.831 174.937 -0.106 19660 2228 1 9 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.085 0.324 19660 2229 1 9 . 1 1 8 8 GLY H H 8 7.669 7.669 7.784 -0.115 19660 2230 1 9 . 1 1 9 9 GLY N N 9 109.185 109.185 108.799 0.386 19660 2231 1 9 . 1 1 9 9 GLY C C 9 173.522 173.522 172.589 0.933 19660 2232 1 9 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.390 -0.312 19660 2233 1 9 . 1 1 9 9 GLY H H 9 7.501 7.501 7.840 -0.339 19660 2234 1 9 . 1 1 10 10 THR N N 10 109.837 109.837 110.863 -1.026 19660 2235 1 9 . 1 1 10 10 THR HA H 10 5.220 5.220 4.733 0.487 19660 2236 1 9 . 1 1 10 10 THR CA C 10 60.357 60.357 60.662 -0.305 19660 2237 1 9 . 1 1 10 10 THR CB C 10 72.680 72.680 71.432 1.248 19660 2238 1 9 . 1 1 10 10 THR H H 10 8.115 8.115 7.994 0.121 19660 2239 1 9 . 1 1 11 11 GLU N N 11 121.356 121.356 123.190 -1.834 19660 2240 1 9 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.752 -0.126 19660 2241 1 9 . 1 1 11 11 GLU C C 11 174.150 174.150 175.298 -1.148 19660 2242 1 9 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.293 0.376 19660 2243 1 9 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.601 -0.257 19660 2244 1 9 . 1 1 11 11 GLU H H 11 9.133 9.133 9.283 -0.150 19660 2245 1 9 . 1 1 12 12 GLU N N 12 125.546 125.546 120.692 4.854 19660 2246 1 9 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.534 -0.068 19660 2247 1 9 . 1 1 12 12 GLU C C 12 176.388 176.388 176.130 0.258 19660 2248 1 9 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.126 0.481 19660 2249 1 9 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.891 -0.051 19660 2250 1 9 . 1 1 12 12 GLU H H 12 8.710 8.710 8.576 0.134 19660 2251 1 9 . 1 1 13 13 CYS N N 13 125.853 125.853 125.384 0.469 19660 2252 1 9 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.807 0.110 19660 2253 1 9 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.893 -6.267 19660 2254 1 9 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.812 10.472 19660 2255 1 9 . 1 1 13 13 CYS H H 13 8.840 8.840 8.556 0.284 19660 2256 1 9 . 1 1 14 14 ILE N N 14 127.700 127.700 127.417 0.283 19660 2257 1 9 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.276 0.016 19660 2258 1 9 . 1 1 14 14 ILE CA C 14 60.386 60.386 59.632 0.754 19660 2259 1 9 . 1 1 14 14 ILE H H 14 8.387 8.387 8.756 -0.369 19660 2260 1 9 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.321 0.108 19660 2261 1 9 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.421 0.366 19660 2262 1 9 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.267 2.139 19660 2263 1 9 . 1 1 16 16 GLY N N 16 111.774 111.774 111.118 0.656 19660 2264 1 9 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.484 0.550 19660 2265 1 9 . 1 1 16 16 GLY H H 16 8.752 8.752 8.369 0.383 19660 2266 1 9 . 1 1 17 17 ILE N N 17 118.758 118.758 121.197 -2.439 19660 2267 1 9 . 1 1 17 17 ILE HA H 17 3.970 3.970 3.909 0.061 19660 2268 1 9 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.766 0.322 19660 2269 1 9 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.323 0.968 19660 2270 1 9 . 1 1 17 17 ILE H H 17 7.527 7.527 7.397 0.130 19660 2271 1 9 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.853 -0.153 19660 2272 1 9 . 1 1 18 18 TYR CA C 18 57.373 57.373 55.946 1.427 19660 2273 1 9 . 1 1 18 18 TYR CB C 18 39.765 39.765 38.296 1.469 19660 2274 1 9 . 1 1 19 19 ASN N N 19 118.488 118.488 121.082 -2.594 19660 2275 1 9 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.953 -0.205 19660 2276 1 9 . 1 1 19 19 ASN C C 19 174.728 174.728 174.876 -0.148 19660 2277 1 9 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.477 -0.681 19660 2278 1 9 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.194 -1.805 19660 2279 1 9 . 1 1 19 19 ASN H H 19 8.512 8.512 9.176 -0.664 19660 2280 1 9 . 1 1 20 20 VAL N N 20 114.324 114.324 115.818 -1.494 19660 2281 1 9 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.660 0.027 19660 2282 1 9 . 1 1 20 20 VAL C C 20 173.641 173.641 173.952 -0.311 19660 2283 1 9 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.443 -0.321 19660 2284 1 9 . 1 1 20 20 VAL CB C 20 36.941 36.941 34.791 2.150 19660 2285 1 9 . 1 1 20 20 VAL H H 20 8.064 8.064 8.229 -0.165 19660 2286 1 9 . 1 1 21 21 CYS N N 21 117.375 117.375 115.970 1.405 19660 2287 1 9 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.853 0.678 19660 2288 1 9 . 1 1 21 21 CYS C C 21 169.343 169.343 172.743 -3.400 19660 2289 1 9 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.770 -5.270 19660 2290 1 9 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.493 8.927 19660 2291 1 9 . 1 1 21 21 CYS H H 21 9.308 9.308 8.177 1.131 19660 2292 1 9 . 1 1 22 22 VAL N N 22 118.966 118.966 121.055 -2.089 19660 2293 1 9 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.466 1.013 19660 2294 1 9 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.384 -0.780 19660 2295 1 9 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.272 0.965 19660 2296 1 9 . 1 1 22 22 VAL H H 22 9.168 9.168 8.301 0.867 19660 2297 1 9 . 1 1 23 23 HIS N N 23 127.041 127.041 126.215 0.826 19660 2298 1 9 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.770 0.745 19660 2299 1 9 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.652 -0.414 19660 2300 1 9 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.470 2.932 19660 2301 1 9 . 1 1 23 23 HIS H H 23 9.214 9.214 8.562 0.652 19660 2302 1 9 . 1 1 24 24 TYR N N 24 132.376 132.376 129.591 2.785 19660 2303 1 9 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.502 0.121 19660 2304 1 9 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.137 -0.487 19660 2305 1 9 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.552 1.496 19660 2306 1 9 . 1 1 24 24 TYR H H 24 8.967 8.967 8.749 0.218 19660 2307 1 9 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.416 0.413 19660 2308 1 9 . 1 1 25 25 LYS C C 25 173.479 173.479 174.772 -1.293 19660 2309 1 9 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.193 1.055 19660 2310 1 9 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.457 1.812 19660 2311 1 9 . 1 1 25 25 LYS H H 25 8.028 8.028 8.139 -0.111 19660 2312 1 9 . 1 1 26 26 SER N N 26 125.633 125.633 121.117 4.516 19660 2313 1 9 . 1 1 26 26 SER HA H 26 4.959 4.959 4.730 0.229 19660 2314 1 9 . 1 1 26 26 SER C C 26 174.081 174.081 173.916 0.165 19660 2315 1 9 . 1 1 26 26 SER CA C 26 56.012 56.012 57.302 -1.290 19660 2316 1 9 . 1 1 26 26 SER CB C 26 66.581 66.581 65.484 1.097 19660 2317 1 9 . 1 1 26 26 SER H H 26 9.314 9.314 8.508 0.806 19660 2318 1 9 . 1 1 27 27 GLU N N 27 118.790 118.790 120.893 -2.103 19660 2319 1 9 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.170 -0.094 19660 2320 1 9 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.719 1.430 19660 2321 1 9 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.734 -0.222 19660 2322 1 9 . 1 1 27 27 GLU H H 27 8.848 8.848 8.561 0.287 19660 2323 1 9 . 1 1 28 28 ASP N N 28 114.555 114.555 119.084 -4.529 19660 2324 1 9 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.670 0.148 19660 2325 1 9 . 1 1 28 28 ASP C C 28 175.500 175.500 175.566 -0.066 19660 2326 1 9 . 1 1 28 28 ASP CA C 28 54.565 54.565 55.037 -0.472 19660 2327 1 9 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.715 1.567 19660 2328 1 9 . 1 1 28 28 ASP H H 28 8.145 8.145 8.223 -0.078 19660 2329 1 9 . 1 1 29 29 GLU N N 29 119.483 119.483 117.952 1.531 19660 2330 1 9 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.591 0.194 19660 2331 1 9 . 1 1 29 29 GLU C C 29 173.282 173.282 173.946 -0.664 19660 2332 1 9 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.480 0.191 19660 2333 1 9 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.559 1.311 19660 2334 1 9 . 1 1 29 29 GLU H H 29 7.774 7.774 7.936 -0.162 19660 2335 1 9 . 1 1 30 30 GLU N N 30 122.376 122.376 120.626 1.750 19660 2336 1 9 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.905 0.578 19660 2337 1 9 . 1 1 30 30 GLU C C 30 174.486 174.486 174.309 0.177 19660 2338 1 9 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.215 -1.163 19660 2339 1 9 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.473 0.380 19660 2340 1 9 . 1 1 30 30 GLU H H 30 8.419 8.419 8.611 -0.192 19660 2341 1 9 . 1 1 31 31 TYR N N 31 119.914 119.914 121.158 -1.244 19660 2342 1 9 . 1 1 31 31 TYR HA H 31 4.990 4.990 5.004 -0.014 19660 2343 1 9 . 1 1 31 31 TYR C C 31 173.240 173.240 172.693 0.547 19660 2344 1 9 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.447 0.911 19660 2345 1 9 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.528 0.231 19660 2346 1 9 . 1 1 31 31 TYR H H 31 9.089 9.089 8.600 0.489 19660 2347 1 9 . 1 1 32 32 LYS N N 32 121.363 121.363 120.471 0.892 19660 2348 1 9 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.851 0.605 19660 2349 1 9 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.111 -0.177 19660 2350 1 9 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.888 1.454 19660 2351 1 9 . 1 1 32 32 LYS H H 32 8.643 8.643 8.507 0.136 19660 2352 1 9 . 1 1 33 33 SER N N 33 113.477 113.477 117.283 -3.806 19660 2353 1 9 . 1 1 33 33 SER HA H 33 4.599 4.599 4.752 -0.153 19660 2354 1 9 . 1 1 33 33 SER C C 33 174.210 174.210 172.578 1.632 19660 2355 1 9 . 1 1 33 33 SER CA C 33 58.123 58.123 58.033 0.090 19660 2356 1 9 . 1 1 33 33 SER CB C 33 66.263 66.263 65.425 0.838 19660 2357 1 9 . 1 1 33 33 SER H H 33 8.151 8.151 8.134 0.017 19660 2358 1 9 . 1 1 34 34 CYS N N 34 118.998 118.998 122.326 -3.328 19660 2359 1 9 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.588 0.706 19660 2360 1 9 . 1 1 34 34 CYS C C 34 175.636 175.636 173.291 2.345 19660 2361 1 9 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.336 -0.608 19660 2362 1 9 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.024 15.490 19660 2363 1 9 . 1 1 34 34 CYS H H 34 8.652 8.652 8.677 -0.025 19660 2364 1 9 . 1 1 35 35 GLY N N 35 112.013 112.013 108.408 3.605 19660 2365 1 9 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.914 0.008 19660 2366 1 9 . 1 1 35 35 GLY H H 35 9.451 9.451 8.464 0.987 19660 2367 1 9 . 1 1 36 36 ILE N N 36 118.738 118.738 120.461 -1.723 19660 2368 1 9 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.722 0.129 19660 2369 1 9 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.373 0.504 19660 2370 1 9 . 1 1 36 36 ILE H H 36 8.576 8.576 8.013 0.563 19660 2371 1 9 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.853 0.094 19660 2372 1 9 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.029 0.236 19660 2373 1 9 . 1 1 38 38 GLU N N 38 117.838 117.838 117.053 0.785 19660 2374 1 9 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.086 -0.032 19660 2375 1 9 . 1 1 38 38 GLU C C 38 177.610 177.610 178.201 -0.591 19660 2376 1 9 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.379 0.452 19660 2377 1 9 . 1 1 38 38 GLU H H 38 9.140 9.140 8.766 0.374 19660 2378 1 9 . 1 1 39 39 GLU N N 39 117.727 117.727 118.592 -0.865 19660 2379 1 9 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.362 0.000 19660 2380 1 9 . 1 1 39 39 GLU C C 39 177.387 177.387 179.197 -1.810 19660 2381 1 9 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.151 -0.994 19660 2382 1 9 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.143 -0.335 19660 2383 1 9 . 1 1 39 39 GLU H H 39 7.933 7.933 8.007 -0.074 19660 2384 1 9 . 1 1 40 40 CYS N N 40 117.847 117.847 120.555 -2.708 19660 2385 1 9 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.193 0.179 19660 2386 1 9 . 1 1 40 40 CYS C C 40 174.430 174.430 176.887 -2.457 19660 2387 1 9 . 1 1 40 40 CYS CA C 40 58.787 58.787 63.312 -4.525 19660 2388 1 9 . 1 1 40 40 CYS CB C 40 44.304 44.304 25.971 18.333 19660 2389 1 9 . 1 1 40 40 CYS H H 40 7.745 7.745 8.807 -1.062 19660 2390 1 9 . 1 1 41 41 GLU N N 41 120.521 120.521 119.779 0.742 19660 2391 1 9 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.040 0.298 19660 2392 1 9 . 1 1 41 41 GLU CA C 41 56.224 56.224 59.048 -2.824 19660 2393 1 9 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.168 1.932 19660 2394 1 9 . 1 1 41 41 GLU H H 41 7.680 7.680 8.332 -0.652 19660 2395 1 9 . 1 1 42 42 ASP N N 42 121.236 121.236 119.187 2.049 19660 2396 1 9 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.405 0.187 19660 2397 1 9 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.232 -1.658 19660 2398 1 9 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.936 0.258 19660 2399 1 9 . 1 1 42 42 ASP H H 42 8.254 8.254 7.604 0.650 19660 2400 1 9 . 1 1 43 43 ALA N N 43 124.610 124.610 122.467 2.143 19660 2401 1 9 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.325 0.155 19660 2402 1 9 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.022 -0.036 19660 2403 1 9 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.091 2.560 19660 2404 1 9 . 1 1 43 43 ALA H H 43 8.104 8.104 7.404 0.700 19660 2405 1 9 . 1 1 44 44 GLU N N 44 121.280 121.280 123.669 -2.389 19660 2406 1 9 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.153 0.074 19660 2407 1 9 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.735 -0.522 19660 2408 1 9 . 1 1 44 44 GLU H H 44 8.565 8.565 7.977 0.588 19660 2409 1 9 . 1 1 45 45 GLY N N 45 111.878 111.878 112.852 -0.974 19660 2410 1 9 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.687 1.110 19660 2411 1 9 . 1 1 45 45 GLY H H 45 8.749 8.749 8.913 -0.164 19660 2412 1 9 . 1 1 46 46 ALA N N 46 122.249 122.249 124.365 -2.116 19660 2413 1 9 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.752 -0.196 19660 2414 1 9 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.657 -0.408 19660 2415 1 9 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.523 0.825 19660 2416 1 9 . 1 1 46 46 ALA H H 46 7.818 7.818 7.953 -0.135 19660 2417 1 9 . 1 1 47 47 THR N N 47 116.571 116.571 115.837 0.734 19660 2418 1 9 . 1 1 47 47 THR HA H 47 4.305 4.305 4.339 -0.034 19660 2419 1 9 . 1 1 47 47 THR CA C 47 61.924 61.924 61.558 0.366 19660 2420 1 9 . 1 1 47 47 THR H H 47 8.387 8.387 8.242 0.145 19660 2421 1 9 . 1 1 48 48 VAL N N 48 127.683 127.683 126.847 0.836 19660 2422 1 9 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.234 0.399 19660 2423 1 9 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.026 2.309 19660 2424 1 9 . 1 1 48 48 VAL H H 48 8.695 8.695 8.374 0.321 19660 2425 1 9 . 1 1 49 49 LEU N N 49 129.662 129.662 127.975 1.687 19660 2426 1 9 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.629 0.093 19660 2427 1 9 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.267 -0.457 19660 2428 1 9 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.303 0.287 19660 2429 1 9 . 1 1 49 49 LEU H H 49 8.594 8.594 8.327 0.267 19660 2430 1 9 . 1 1 50 50 CYS N N 50 123.551 123.551 123.580 -0.029 19660 2431 1 9 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.771 0.968 19660 2432 1 9 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.565 -3.276 19660 2433 1 9 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.348 18.076 19660 2434 1 9 . 1 1 50 50 CYS H H 50 8.910 8.910 8.283 0.627 19660 2435 1 9 . 1 1 51 51 CYS N N 51 119.604 119.604 126.081 -6.477 19660 2436 1 9 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.860 0.509 19660 2437 1 9 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.714 -4.115 19660 2438 1 9 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.705 17.799 19660 2439 1 9 . 1 1 51 51 CYS H H 51 9.281 9.281 8.981 0.300 19660 2440 1 9 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.310 0.668 19660 2441 1 9 . 1 1 52 52 PRO C C 52 175.082 175.082 176.658 -1.576 19660 2442 1 9 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.716 0.718 19660 2443 1 9 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.039 0.395 19660 2444 1 9 . 1 1 53 53 GLU N N 53 121.348 121.348 119.243 2.105 19660 2445 1 9 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.345 0.206 19660 2446 1 9 . 1 1 53 53 GLU C C 53 174.317 174.317 174.680 -0.363 19660 2447 1 9 . 1 1 53 53 GLU CA C 53 55.705 55.705 54.815 0.890 19660 2448 1 9 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.777 1.298 19660 2449 1 9 . 1 1 53 53 GLU H H 53 7.232 7.232 7.838 -0.606 19660 2450 1 9 . 1 1 54 54 ASP N N 54 118.893 118.893 117.497 1.396 19660 2451 1 9 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.618 0.252 19660 2452 1 9 . 1 1 54 54 ASP C C 54 177.950 177.950 176.162 1.788 19660 2453 1 9 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.128 2.422 19660 2454 1 9 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.641 -0.054 19660 2455 1 9 . 1 1 54 54 ASP H H 54 8.230 8.230 8.352 -0.122 19660 2456 1 9 . 1 1 55 55 LEU N N 55 113.945 113.945 118.650 -4.705 19660 2457 1 9 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.809 -0.119 19660 2458 1 9 . 1 1 55 55 LEU C C 55 176.734 176.734 176.647 0.087 19660 2459 1 9 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.354 0.292 19660 2460 1 9 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.382 -1.688 19660 2461 1 9 . 1 1 55 55 LEU H H 55 9.462 9.462 8.797 0.665 19660 2462 1 9 . 1 1 56 56 CYS N N 56 112.784 112.784 118.949 -6.165 19660 2463 1 9 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.425 0.089 19660 2464 1 9 . 1 1 56 56 CYS CA C 56 56.921 56.921 57.964 -1.043 19660 2465 1 9 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.839 18.889 19660 2466 1 9 . 1 1 56 56 CYS H H 56 7.647 7.647 9.042 -1.395 19660 2467 1 10 . 1 1 2 2 GLN N N 2 125.663 125.663 120.703 4.960 19660 2468 1 10 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.143 0.255 19660 2469 1 10 . 1 1 2 2 GLN C C 2 174.668 174.668 174.872 -0.204 19660 2470 1 10 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.843 -1.071 19660 2471 1 10 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.180 -1.157 19660 2472 1 10 . 1 1 2 2 GLN H H 2 8.383 8.383 8.439 -0.056 19660 2473 1 10 . 1 1 3 3 CYS N N 3 118.829 118.829 119.831 -1.002 19660 2474 1 10 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.138 0.008 19660 2475 1 10 . 1 1 3 3 CYS C C 3 174.118 174.118 174.153 -0.035 19660 2476 1 10 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.899 -5.932 19660 2477 1 10 . 1 1 3 3 CYS H H 3 9.023 9.023 9.272 -0.249 19660 2478 1 10 . 1 1 4 4 ASN N N 4 119.446 119.446 120.417 -0.971 19660 2479 1 10 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.903 0.129 19660 2480 1 10 . 1 1 4 4 ASN CA C 4 54.360 54.360 54.041 0.319 19660 2481 1 10 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.068 -0.441 19660 2482 1 10 . 1 1 4 4 ASN H H 4 9.225 9.225 8.918 0.307 19660 2483 1 10 . 1 1 5 5 THR N N 5 109.185 109.185 109.247 -0.062 19660 2484 1 10 . 1 1 5 5 THR HA H 5 4.934 4.934 4.814 0.120 19660 2485 1 10 . 1 1 5 5 THR C C 5 176.984 176.984 175.905 1.079 19660 2486 1 10 . 1 1 5 5 THR CA C 5 60.188 60.188 59.556 0.632 19660 2487 1 10 . 1 1 5 5 THR CB C 5 70.286 70.286 72.708 -2.422 19660 2488 1 10 . 1 1 5 5 THR H H 5 7.823 7.823 8.174 -0.351 19660 2489 1 10 . 1 1 6 6 LEU N N 6 123.023 123.023 119.759 3.264 19660 2490 1 10 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.307 -0.334 19660 2491 1 10 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.613 0.011 19660 2492 1 10 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.792 1.100 19660 2493 1 10 . 1 1 6 6 LEU H H 6 8.958 8.958 8.656 0.302 19660 2494 1 10 . 1 1 7 7 ASP N N 7 115.117 115.117 118.176 -3.059 19660 2495 1 10 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.555 -0.021 19660 2496 1 10 . 1 1 7 7 ASP C C 7 176.415 176.415 177.016 -0.601 19660 2497 1 10 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.746 -1.006 19660 2498 1 10 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.714 -0.559 19660 2499 1 10 . 1 1 7 7 ASP H H 7 8.258 8.258 7.997 0.261 19660 2500 1 10 . 1 1 8 8 GLY N N 8 106.811 106.811 105.844 0.967 19660 2501 1 10 . 1 1 8 8 GLY C C 8 174.831 174.831 174.947 -0.116 19660 2502 1 10 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.045 0.364 19660 2503 1 10 . 1 1 8 8 GLY H H 8 7.669 7.669 7.762 -0.093 19660 2504 1 10 . 1 1 9 9 GLY N N 9 109.185 109.185 109.145 0.040 19660 2505 1 10 . 1 1 9 9 GLY C C 9 173.522 173.522 172.979 0.543 19660 2506 1 10 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.145 -0.067 19660 2507 1 10 . 1 1 9 9 GLY H H 9 7.501 7.501 7.738 -0.237 19660 2508 1 10 . 1 1 10 10 THR N N 10 109.837 109.837 111.547 -1.710 19660 2509 1 10 . 1 1 10 10 THR HA H 10 5.220 5.220 4.741 0.479 19660 2510 1 10 . 1 1 10 10 THR CA C 10 60.357 60.357 60.507 -0.150 19660 2511 1 10 . 1 1 10 10 THR CB C 10 72.680 72.680 71.245 1.435 19660 2512 1 10 . 1 1 10 10 THR H H 10 8.115 8.115 8.001 0.114 19660 2513 1 10 . 1 1 11 11 GLU N N 11 121.356 121.356 122.369 -1.013 19660 2514 1 10 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.747 -0.121 19660 2515 1 10 . 1 1 11 11 GLU C C 11 174.150 174.150 175.389 -1.239 19660 2516 1 10 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.426 0.243 19660 2517 1 10 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.012 0.332 19660 2518 1 10 . 1 1 11 11 GLU H H 11 9.133 9.133 9.211 -0.078 19660 2519 1 10 . 1 1 12 12 GLU N N 12 125.546 125.546 121.294 4.252 19660 2520 1 10 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.469 -0.003 19660 2521 1 10 . 1 1 12 12 GLU C C 12 176.388 176.388 175.846 0.542 19660 2522 1 10 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.371 0.236 19660 2523 1 10 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.421 0.419 19660 2524 1 10 . 1 1 12 12 GLU H H 12 8.710 8.710 8.575 0.135 19660 2525 1 10 . 1 1 13 13 CYS N N 13 125.853 125.853 124.831 1.022 19660 2526 1 10 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.827 0.090 19660 2527 1 10 . 1 1 13 13 CYS CA C 13 52.626 52.626 59.357 -6.731 19660 2528 1 10 . 1 1 13 13 CYS CB C 13 37.284 37.284 28.232 9.052 19660 2529 1 10 . 1 1 13 13 CYS H H 13 8.840 8.840 8.471 0.369 19660 2530 1 10 . 1 1 14 14 ILE N N 14 127.700 127.700 124.698 3.002 19660 2531 1 10 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.409 -0.117 19660 2532 1 10 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.884 1.502 19660 2533 1 10 . 1 1 14 14 ILE H H 14 8.387 8.387 8.509 -0.122 19660 2534 1 10 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.466 -0.037 19660 2535 1 10 . 1 1 15 15 PRO CA C 15 63.787 63.787 64.505 -0.718 19660 2536 1 10 . 1 1 15 15 PRO CB C 15 32.406 32.406 31.891 0.515 19660 2537 1 10 . 1 1 16 16 GLY N N 16 111.774 111.774 105.124 6.650 19660 2538 1 10 . 1 1 16 16 GLY CA C 16 46.034 46.034 44.880 1.153 19660 2539 1 10 . 1 1 16 16 GLY H H 16 8.752 8.752 8.323 0.429 19660 2540 1 10 . 1 1 17 17 ILE N N 17 118.758 118.758 118.333 0.425 19660 2541 1 10 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.153 -0.183 19660 2542 1 10 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.555 0.533 19660 2543 1 10 . 1 1 17 17 ILE CB C 17 39.291 39.291 40.320 -1.029 19660 2544 1 10 . 1 1 17 17 ILE H H 17 7.527 7.527 7.274 0.253 19660 2545 1 10 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.805 -0.105 19660 2546 1 10 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.241 1.132 19660 2547 1 10 . 1 1 18 18 TYR CB C 18 39.765 39.765 37.891 1.874 19660 2548 1 10 . 1 1 19 19 ASN N N 19 118.488 118.488 120.902 -2.414 19660 2549 1 10 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.834 -0.086 19660 2550 1 10 . 1 1 19 19 ASN C C 19 174.728 174.728 174.949 -0.221 19660 2551 1 10 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.411 -0.615 19660 2552 1 10 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.094 -1.705 19660 2553 1 10 . 1 1 19 19 ASN H H 19 8.512 8.512 8.925 -0.413 19660 2554 1 10 . 1 1 20 20 VAL N N 20 114.324 114.324 114.396 -0.072 19660 2555 1 10 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.585 0.102 19660 2556 1 10 . 1 1 20 20 VAL C C 20 173.641 173.641 173.855 -0.214 19660 2557 1 10 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.011 0.111 19660 2558 1 10 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.281 1.661 19660 2559 1 10 . 1 1 20 20 VAL H H 20 8.064 8.064 7.905 0.159 19660 2560 1 10 . 1 1 21 21 CYS N N 21 117.375 117.375 117.351 0.024 19660 2561 1 10 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.849 0.682 19660 2562 1 10 . 1 1 21 21 CYS C C 21 169.343 169.343 172.787 -3.444 19660 2563 1 10 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.920 -5.420 19660 2564 1 10 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.549 8.871 19660 2565 1 10 . 1 1 21 21 CYS H H 21 9.308 9.308 8.243 1.065 19660 2566 1 10 . 1 1 22 22 VAL N N 22 118.966 118.966 120.790 -1.824 19660 2567 1 10 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.425 1.054 19660 2568 1 10 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.124 -0.520 19660 2569 1 10 . 1 1 22 22 VAL CB C 22 36.237 36.237 34.969 1.268 19660 2570 1 10 . 1 1 22 22 VAL H H 22 9.168 9.168 7.967 1.201 19660 2571 1 10 . 1 1 23 23 HIS N N 23 127.041 127.041 125.930 1.111 19660 2572 1 10 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.775 0.740 19660 2573 1 10 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.394 -0.156 19660 2574 1 10 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.732 2.670 19660 2575 1 10 . 1 1 23 23 HIS H H 23 9.214 9.214 8.540 0.674 19660 2576 1 10 . 1 1 24 24 TYR N N 24 132.376 132.376 129.891 2.485 19660 2577 1 10 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.503 0.120 19660 2578 1 10 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.156 -0.506 19660 2579 1 10 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.469 1.579 19660 2580 1 10 . 1 1 24 24 TYR H H 24 8.967 8.967 8.919 0.048 19660 2581 1 10 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.470 0.359 19660 2582 1 10 . 1 1 25 25 LYS C C 25 173.479 173.479 174.858 -1.379 19660 2583 1 10 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.300 0.948 19660 2584 1 10 . 1 1 25 25 LYS CB C 25 36.269 36.269 33.777 2.492 19660 2585 1 10 . 1 1 25 25 LYS H H 25 8.028 8.028 8.084 -0.056 19660 2586 1 10 . 1 1 26 26 SER N N 26 125.633 125.633 121.372 4.261 19660 2587 1 10 . 1 1 26 26 SER HA H 26 4.959 4.959 4.771 0.188 19660 2588 1 10 . 1 1 26 26 SER C C 26 174.081 174.081 173.598 0.483 19660 2589 1 10 . 1 1 26 26 SER CA C 26 56.012 56.012 57.135 -1.123 19660 2590 1 10 . 1 1 26 26 SER CB C 26 66.581 66.581 65.568 1.013 19660 2591 1 10 . 1 1 26 26 SER H H 26 9.314 9.314 8.374 0.940 19660 2592 1 10 . 1 1 27 27 GLU N N 27 118.790 118.790 120.735 -1.945 19660 2593 1 10 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.096 -0.020 19660 2594 1 10 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.875 1.274 19660 2595 1 10 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.732 -0.220 19660 2596 1 10 . 1 1 27 27 GLU H H 27 8.848 8.848 8.565 0.283 19660 2597 1 10 . 1 1 28 28 ASP N N 28 114.555 114.555 120.026 -5.471 19660 2598 1 10 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.693 0.125 19660 2599 1 10 . 1 1 28 28 ASP C C 28 175.500 175.500 175.617 -0.117 19660 2600 1 10 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.967 -0.402 19660 2601 1 10 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.580 1.702 19660 2602 1 10 . 1 1 28 28 ASP H H 28 8.145 8.145 8.339 -0.194 19660 2603 1 10 . 1 1 29 29 GLU N N 29 119.483 119.483 117.839 1.644 19660 2604 1 10 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.596 0.189 19660 2605 1 10 . 1 1 29 29 GLU C C 29 173.282 173.282 173.961 -0.679 19660 2606 1 10 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.486 0.185 19660 2607 1 10 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.569 1.301 19660 2608 1 10 . 1 1 29 29 GLU H H 29 7.774 7.774 7.960 -0.186 19660 2609 1 10 . 1 1 30 30 GLU N N 30 122.376 122.376 120.771 1.605 19660 2610 1 10 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.945 0.538 19660 2611 1 10 . 1 1 30 30 GLU C C 30 174.486 174.486 174.837 -0.351 19660 2612 1 10 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.220 -1.168 19660 2613 1 10 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.494 0.359 19660 2614 1 10 . 1 1 30 30 GLU H H 30 8.419 8.419 8.648 -0.229 19660 2615 1 10 . 1 1 31 31 TYR N N 31 119.914 119.914 121.227 -1.313 19660 2616 1 10 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.946 0.044 19660 2617 1 10 . 1 1 31 31 TYR C C 31 173.240 173.240 172.733 0.507 19660 2618 1 10 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.707 0.651 19660 2619 1 10 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.392 0.367 19660 2620 1 10 . 1 1 31 31 TYR H H 31 9.089 9.089 8.771 0.318 19660 2621 1 10 . 1 1 32 32 LYS N N 32 121.363 121.363 119.857 1.506 19660 2622 1 10 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.850 0.606 19660 2623 1 10 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.143 -0.209 19660 2624 1 10 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.619 1.723 19660 2625 1 10 . 1 1 32 32 LYS H H 32 8.643 8.643 8.543 0.100 19660 2626 1 10 . 1 1 33 33 SER N N 33 113.477 113.477 117.364 -3.887 19660 2627 1 10 . 1 1 33 33 SER HA H 33 4.599 4.599 4.749 -0.150 19660 2628 1 10 . 1 1 33 33 SER C C 33 174.210 174.210 172.706 1.504 19660 2629 1 10 . 1 1 33 33 SER CA C 33 58.123 58.123 58.404 -0.281 19660 2630 1 10 . 1 1 33 33 SER CB C 33 66.263 66.263 65.539 0.724 19660 2631 1 10 . 1 1 33 33 SER H H 33 8.151 8.151 8.111 0.040 19660 2632 1 10 . 1 1 34 34 CYS N N 34 118.998 118.998 122.271 -3.273 19660 2633 1 10 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.577 0.717 19660 2634 1 10 . 1 1 34 34 CYS C C 34 175.636 175.636 173.168 2.468 19660 2635 1 10 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.316 -0.588 19660 2636 1 10 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.083 15.431 19660 2637 1 10 . 1 1 34 34 CYS H H 34 8.652 8.652 8.651 0.001 19660 2638 1 10 . 1 1 35 35 GLY N N 35 112.013 112.013 108.426 3.587 19660 2639 1 10 . 1 1 35 35 GLY CA C 35 45.922 45.922 46.231 -0.309 19660 2640 1 10 . 1 1 35 35 GLY H H 35 9.451 9.451 8.526 0.925 19660 2641 1 10 . 1 1 36 36 ILE N N 36 118.738 118.738 119.937 -1.199 19660 2642 1 10 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.700 0.151 19660 2643 1 10 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.402 0.475 19660 2644 1 10 . 1 1 36 36 ILE H H 36 8.576 8.576 7.576 1.000 19660 2645 1 10 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.871 0.076 19660 2646 1 10 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.278 -0.013 19660 2647 1 10 . 1 1 38 38 GLU N N 38 117.838 117.838 117.720 0.118 19660 2648 1 10 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.043 0.011 19660 2649 1 10 . 1 1 38 38 GLU C C 38 177.610 177.610 177.691 -0.081 19660 2650 1 10 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.294 0.537 19660 2651 1 10 . 1 1 38 38 GLU H H 38 9.140 9.140 8.632 0.508 19660 2652 1 10 . 1 1 39 39 GLU N N 39 117.727 117.727 118.314 -0.587 19660 2653 1 10 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.274 0.088 19660 2654 1 10 . 1 1 39 39 GLU C C 39 177.387 177.387 179.155 -1.768 19660 2655 1 10 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.775 -1.617 19660 2656 1 10 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.248 -0.440 19660 2657 1 10 . 1 1 39 39 GLU H H 39 7.933 7.933 7.856 0.077 19660 2658 1 10 . 1 1 40 40 CYS N N 40 117.847 117.847 120.196 -2.349 19660 2659 1 10 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.190 0.182 19660 2660 1 10 . 1 1 40 40 CYS C C 40 174.430 174.430 176.761 -2.331 19660 2661 1 10 . 1 1 40 40 CYS CA C 40 58.787 58.787 63.277 -4.490 19660 2662 1 10 . 1 1 40 40 CYS CB C 40 44.304 44.304 25.855 18.449 19660 2663 1 10 . 1 1 40 40 CYS H H 40 7.745 7.745 8.872 -1.127 19660 2664 1 10 . 1 1 41 41 GLU N N 41 120.521 120.521 120.492 0.029 19660 2665 1 10 . 1 1 41 41 GLU HA H 41 4.338 4.338 3.990 0.348 19660 2666 1 10 . 1 1 41 41 GLU CA C 41 56.224 56.224 59.019 -2.795 19660 2667 1 10 . 1 1 41 41 GLU CB C 41 31.100 31.100 28.971 2.129 19660 2668 1 10 . 1 1 41 41 GLU H H 41 7.680 7.680 8.268 -0.588 19660 2669 1 10 . 1 1 42 42 ASP N N 42 121.236 121.236 119.577 1.659 19660 2670 1 10 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.387 0.205 19660 2671 1 10 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.041 -1.467 19660 2672 1 10 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.925 0.269 19660 2673 1 10 . 1 1 42 42 ASP H H 42 8.254 8.254 7.643 0.611 19660 2674 1 10 . 1 1 43 43 ALA N N 43 124.610 124.610 122.743 1.867 19660 2675 1 10 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.292 0.188 19660 2676 1 10 . 1 1 43 43 ALA CA C 43 51.986 51.986 51.943 0.043 19660 2677 1 10 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.132 2.519 19660 2678 1 10 . 1 1 43 43 ALA H H 43 8.104 8.104 7.479 0.625 19660 2679 1 10 . 1 1 44 44 GLU N N 44 121.280 121.280 124.694 -3.414 19660 2680 1 10 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.181 0.046 19660 2681 1 10 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.451 -0.238 19660 2682 1 10 . 1 1 44 44 GLU H H 44 8.565 8.565 7.911 0.654 19660 2683 1 10 . 1 1 45 45 GLY N N 45 111.878 111.878 112.755 -0.877 19660 2684 1 10 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.737 1.060 19660 2685 1 10 . 1 1 45 45 GLY H H 45 8.749 8.749 8.846 -0.097 19660 2686 1 10 . 1 1 46 46 ALA N N 46 122.249 122.249 124.896 -2.647 19660 2687 1 10 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.695 -0.139 19660 2688 1 10 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.488 -0.239 19660 2689 1 10 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.625 0.723 19660 2690 1 10 . 1 1 46 46 ALA H H 46 7.818 7.818 7.625 0.193 19660 2691 1 10 . 1 1 47 47 THR N N 47 116.571 116.571 117.424 -0.853 19660 2692 1 10 . 1 1 47 47 THR HA H 47 4.305 4.305 4.413 -0.108 19660 2693 1 10 . 1 1 47 47 THR CA C 47 61.924 61.924 62.169 -0.244 19660 2694 1 10 . 1 1 47 47 THR H H 47 8.387 8.387 8.250 0.137 19660 2695 1 10 . 1 1 48 48 VAL N N 48 127.683 127.683 124.847 2.836 19660 2696 1 10 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.241 0.392 19660 2697 1 10 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.197 2.138 19660 2698 1 10 . 1 1 48 48 VAL H H 48 8.695 8.695 8.378 0.317 19660 2699 1 10 . 1 1 49 49 LEU N N 49 129.662 129.662 128.394 1.268 19660 2700 1 10 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.662 0.060 19660 2701 1 10 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.451 -0.641 19660 2702 1 10 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.265 0.325 19660 2703 1 10 . 1 1 49 49 LEU H H 49 8.594 8.594 8.267 0.327 19660 2704 1 10 . 1 1 50 50 CYS N N 50 123.551 123.551 123.428 0.123 19660 2705 1 10 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.776 0.963 19660 2706 1 10 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.579 -3.290 19660 2707 1 10 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.466 17.958 19660 2708 1 10 . 1 1 50 50 CYS H H 50 8.910 8.910 8.270 0.640 19660 2709 1 10 . 1 1 51 51 CYS N N 51 119.604 119.604 125.923 -6.319 19660 2710 1 10 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.862 0.507 19660 2711 1 10 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.716 -4.117 19660 2712 1 10 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.719 17.785 19660 2713 1 10 . 1 1 51 51 CYS H H 51 9.281 9.281 9.008 0.273 19660 2714 1 10 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.291 0.687 19660 2715 1 10 . 1 1 52 52 PRO C C 52 175.082 175.082 176.568 -1.486 19660 2716 1 10 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.746 0.688 19660 2717 1 10 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.095 0.339 19660 2718 1 10 . 1 1 53 53 GLU N N 53 121.348 121.348 118.734 2.614 19660 2719 1 10 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.442 0.109 19660 2720 1 10 . 1 1 53 53 GLU C C 53 174.317 174.317 175.453 -1.136 19660 2721 1 10 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.220 0.485 19660 2722 1 10 . 1 1 53 53 GLU CB C 53 32.075 32.075 31.248 0.827 19660 2723 1 10 . 1 1 53 53 GLU H H 53 7.232 7.232 7.878 -0.646 19660 2724 1 10 . 1 1 54 54 ASP N N 54 118.893 118.893 118.282 0.611 19660 2725 1 10 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.547 0.323 19660 2726 1 10 . 1 1 54 54 ASP C C 54 177.950 177.950 176.408 1.542 19660 2727 1 10 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.312 2.238 19660 2728 1 10 . 1 1 54 54 ASP CB C 54 41.587 41.587 42.192 -0.605 19660 2729 1 10 . 1 1 54 54 ASP H H 54 8.230 8.230 8.333 -0.103 19660 2730 1 10 . 1 1 55 55 LEU N N 55 113.945 113.945 118.898 -4.953 19660 2731 1 10 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.845 -0.155 19660 2732 1 10 . 1 1 55 55 LEU C C 55 176.734 176.734 176.548 0.186 19660 2733 1 10 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.343 0.303 19660 2734 1 10 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.025 -1.331 19660 2735 1 10 . 1 1 55 55 LEU H H 55 9.462 9.462 8.890 0.572 19660 2736 1 10 . 1 1 56 56 CYS N N 56 112.784 112.784 119.049 -6.265 19660 2737 1 10 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.448 0.066 19660 2738 1 10 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.154 -1.233 19660 2739 1 10 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.778 18.950 19660 2740 1 10 . 1 1 56 56 CYS H H 56 7.647 7.647 9.058 -1.411 19660 2741 1 11 . 1 1 2 2 GLN N N 2 125.663 125.663 118.624 7.039 19660 2742 1 11 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.085 0.314 19660 2743 1 11 . 1 1 2 2 GLN C C 2 174.668 174.668 174.795 -0.127 19660 2744 1 11 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.942 -1.170 19660 2745 1 11 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.123 -1.100 19660 2746 1 11 . 1 1 2 2 GLN H H 2 8.383 8.383 8.364 0.019 19660 2747 1 11 . 1 1 3 3 CYS N N 3 118.829 118.829 119.828 -0.999 19660 2748 1 11 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.118 0.028 19660 2749 1 11 . 1 1 3 3 CYS C C 3 174.118 174.118 174.113 0.005 19660 2750 1 11 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.831 -5.864 19660 2751 1 11 . 1 1 3 3 CYS H H 3 9.023 9.023 9.279 -0.256 19660 2752 1 11 . 1 1 4 4 ASN N N 4 119.446 119.446 121.274 -1.828 19660 2753 1 11 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.900 0.132 19660 2754 1 11 . 1 1 4 4 ASN CA C 4 54.360 54.360 54.072 0.288 19660 2755 1 11 . 1 1 4 4 ASN CB C 4 39.627 39.627 39.945 -0.318 19660 2756 1 11 . 1 1 4 4 ASN H H 4 9.225 9.225 8.684 0.541 19660 2757 1 11 . 1 1 5 5 THR N N 5 109.185 109.185 108.955 0.230 19660 2758 1 11 . 1 1 5 5 THR HA H 5 4.934 4.934 4.841 0.093 19660 2759 1 11 . 1 1 5 5 THR C C 5 176.984 176.984 176.041 0.943 19660 2760 1 11 . 1 1 5 5 THR CA C 5 60.188 60.188 59.454 0.734 19660 2761 1 11 . 1 1 5 5 THR CB C 5 70.286 70.286 72.785 -2.499 19660 2762 1 11 . 1 1 5 5 THR H H 5 7.823 7.823 8.148 -0.325 19660 2763 1 11 . 1 1 6 6 LEU N N 6 123.023 123.023 119.041 3.982 19660 2764 1 11 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.280 -0.307 19660 2765 1 11 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.398 0.226 19660 2766 1 11 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.806 1.086 19660 2767 1 11 . 1 1 6 6 LEU H H 6 8.958 8.958 8.772 0.186 19660 2768 1 11 . 1 1 7 7 ASP N N 7 115.117 115.117 117.711 -2.594 19660 2769 1 11 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.504 0.030 19660 2770 1 11 . 1 1 7 7 ASP C C 7 176.415 176.415 177.112 -0.697 19660 2771 1 11 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.332 -0.592 19660 2772 1 11 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.447 -0.292 19660 2773 1 11 . 1 1 7 7 ASP H H 7 8.258 8.258 7.868 0.390 19660 2774 1 11 . 1 1 8 8 GLY N N 8 106.811 106.811 107.346 -0.535 19660 2775 1 11 . 1 1 8 8 GLY C C 8 174.831 174.831 174.722 0.109 19660 2776 1 11 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.289 0.120 19660 2777 1 11 . 1 1 8 8 GLY H H 8 7.669 7.669 7.869 -0.200 19660 2778 1 11 . 1 1 9 9 GLY N N 9 109.185 109.185 107.935 1.250 19660 2779 1 11 . 1 1 9 9 GLY C C 9 173.522 173.522 172.522 1.000 19660 2780 1 11 . 1 1 9 9 GLY CA C 9 44.078 44.078 43.864 0.214 19660 2781 1 11 . 1 1 9 9 GLY H H 9 7.501 7.501 7.622 -0.121 19660 2782 1 11 . 1 1 10 10 THR N N 10 109.837 109.837 111.355 -1.518 19660 2783 1 11 . 1 1 10 10 THR HA H 10 5.220 5.220 4.759 0.461 19660 2784 1 11 . 1 1 10 10 THR CA C 10 60.357 60.357 60.675 -0.318 19660 2785 1 11 . 1 1 10 10 THR CB C 10 72.680 72.680 70.894 1.786 19660 2786 1 11 . 1 1 10 10 THR H H 10 8.115 8.115 8.009 0.106 19660 2787 1 11 . 1 1 11 11 GLU N N 11 121.356 121.356 122.303 -0.947 19660 2788 1 11 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.777 -0.151 19660 2789 1 11 . 1 1 11 11 GLU C C 11 174.150 174.150 175.320 -1.170 19660 2790 1 11 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.288 0.381 19660 2791 1 11 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.228 0.116 19660 2792 1 11 . 1 1 11 11 GLU H H 11 9.133 9.133 9.094 0.039 19660 2793 1 11 . 1 1 12 12 GLU N N 12 125.546 125.546 121.055 4.491 19660 2794 1 11 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.644 -0.178 19660 2795 1 11 . 1 1 12 12 GLU C C 12 176.388 176.388 176.040 0.348 19660 2796 1 11 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.159 0.448 19660 2797 1 11 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.870 -0.030 19660 2798 1 11 . 1 1 12 12 GLU H H 12 8.710 8.710 8.569 0.141 19660 2799 1 11 . 1 1 13 13 CYS N N 13 125.853 125.853 125.360 0.493 19660 2800 1 11 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.811 0.106 19660 2801 1 11 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.939 -6.313 19660 2802 1 11 . 1 1 13 13 CYS CB C 13 37.284 37.284 27.325 9.959 19660 2803 1 11 . 1 1 13 13 CYS H H 13 8.840 8.840 8.544 0.296 19660 2804 1 11 . 1 1 14 14 ILE N N 14 127.700 127.700 126.625 1.075 19660 2805 1 11 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.282 0.010 19660 2806 1 11 . 1 1 14 14 ILE CA C 14 60.386 60.386 59.636 0.750 19660 2807 1 11 . 1 1 14 14 ILE H H 14 8.387 8.387 8.741 -0.354 19660 2808 1 11 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.329 0.100 19660 2809 1 11 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.420 0.367 19660 2810 1 11 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.249 2.157 19660 2811 1 11 . 1 1 16 16 GLY N N 16 111.774 111.774 111.133 0.641 19660 2812 1 11 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.392 0.642 19660 2813 1 11 . 1 1 16 16 GLY H H 16 8.752 8.752 8.367 0.385 19660 2814 1 11 . 1 1 17 17 ILE N N 17 118.758 118.758 121.171 -2.413 19660 2815 1 11 . 1 1 17 17 ILE HA H 17 3.970 3.970 3.846 0.124 19660 2816 1 11 . 1 1 17 17 ILE CA C 17 62.088 62.088 62.509 -0.421 19660 2817 1 11 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.260 1.031 19660 2818 1 11 . 1 1 17 17 ILE H H 17 7.527 7.527 7.355 0.172 19660 2819 1 11 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.888 -0.188 19660 2820 1 11 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.304 1.069 19660 2821 1 11 . 1 1 18 18 TYR CB C 18 39.765 39.765 39.068 0.697 19660 2822 1 11 . 1 1 19 19 ASN N N 19 118.488 118.488 121.704 -3.216 19660 2823 1 11 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.869 -0.121 19660 2824 1 11 . 1 1 19 19 ASN C C 19 174.728 174.728 174.874 -0.146 19660 2825 1 11 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.492 -0.695 19660 2826 1 11 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.117 -1.728 19660 2827 1 11 . 1 1 19 19 ASN H H 19 8.512 8.512 9.032 -0.520 19660 2828 1 11 . 1 1 20 20 VAL N N 20 114.324 114.324 114.463 -0.139 19660 2829 1 11 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.588 0.099 19660 2830 1 11 . 1 1 20 20 VAL C C 20 173.641 173.641 173.892 -0.251 19660 2831 1 11 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.040 0.082 19660 2832 1 11 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.245 1.696 19660 2833 1 11 . 1 1 20 20 VAL H H 20 8.064 8.064 7.906 0.158 19660 2834 1 11 . 1 1 21 21 CYS N N 21 117.375 117.375 116.956 0.419 19660 2835 1 11 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.851 0.680 19660 2836 1 11 . 1 1 21 21 CYS C C 21 169.343 169.343 172.706 -3.363 19660 2837 1 11 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.546 -5.046 19660 2838 1 11 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.586 8.834 19660 2839 1 11 . 1 1 21 21 CYS H H 21 9.308 9.308 8.225 1.083 19660 2840 1 11 . 1 1 22 22 VAL N N 22 118.966 118.966 120.428 -1.462 19660 2841 1 11 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.502 0.977 19660 2842 1 11 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.284 -0.680 19660 2843 1 11 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.690 0.547 19660 2844 1 11 . 1 1 22 22 VAL H H 22 9.168 9.168 8.329 0.839 19660 2845 1 11 . 1 1 23 23 HIS N N 23 127.041 127.041 126.261 0.780 19660 2846 1 11 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.770 0.745 19660 2847 1 11 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.376 -0.138 19660 2848 1 11 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.774 2.628 19660 2849 1 11 . 1 1 23 23 HIS H H 23 9.214 9.214 8.474 0.740 19660 2850 1 11 . 1 1 24 24 TYR N N 24 132.376 132.376 129.481 2.895 19660 2851 1 11 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.444 0.179 19660 2852 1 11 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.059 -0.409 19660 2853 1 11 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.513 1.535 19660 2854 1 11 . 1 1 24 24 TYR H H 24 8.967 8.967 8.811 0.156 19660 2855 1 11 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.409 0.420 19660 2856 1 11 . 1 1 25 25 LYS C C 25 173.479 173.479 174.700 -1.221 19660 2857 1 11 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.230 1.018 19660 2858 1 11 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.296 1.973 19660 2859 1 11 . 1 1 25 25 LYS H H 25 8.028 8.028 8.103 -0.075 19660 2860 1 11 . 1 1 26 26 SER N N 26 125.633 125.633 121.794 3.839 19660 2861 1 11 . 1 1 26 26 SER HA H 26 4.959 4.959 4.688 0.271 19660 2862 1 11 . 1 1 26 26 SER C C 26 174.081 174.081 173.732 0.349 19660 2863 1 11 . 1 1 26 26 SER CA C 26 56.012 56.012 57.202 -1.190 19660 2864 1 11 . 1 1 26 26 SER CB C 26 66.581 66.581 65.644 0.937 19660 2865 1 11 . 1 1 26 26 SER H H 26 9.314 9.314 8.561 0.753 19660 2866 1 11 . 1 1 27 27 GLU N N 27 118.790 118.790 120.548 -1.758 19660 2867 1 11 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.171 -0.095 19660 2868 1 11 . 1 1 27 27 GLU CA C 27 59.149 59.149 58.131 1.018 19660 2869 1 11 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.749 -0.237 19660 2870 1 11 . 1 1 27 27 GLU H H 27 8.848 8.848 8.630 0.218 19660 2871 1 11 . 1 1 28 28 ASP N N 28 114.555 114.555 119.451 -4.896 19660 2872 1 11 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.685 0.133 19660 2873 1 11 . 1 1 28 28 ASP C C 28 175.500 175.500 175.372 0.128 19660 2874 1 11 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.891 -0.326 19660 2875 1 11 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.475 1.807 19660 2876 1 11 . 1 1 28 28 ASP H H 28 8.145 8.145 8.269 -0.124 19660 2877 1 11 . 1 1 29 29 GLU N N 29 119.483 119.483 117.069 2.414 19660 2878 1 11 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.595 0.190 19660 2879 1 11 . 1 1 29 29 GLU C C 29 173.282 173.282 174.149 -0.867 19660 2880 1 11 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.441 0.230 19660 2881 1 11 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.931 0.939 19660 2882 1 11 . 1 1 29 29 GLU H H 29 7.774 7.774 7.883 -0.109 19660 2883 1 11 . 1 1 30 30 GLU N N 30 122.376 122.376 120.759 1.617 19660 2884 1 11 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.936 0.547 19660 2885 1 11 . 1 1 30 30 GLU C C 30 174.486 174.486 174.290 0.196 19660 2886 1 11 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.190 -1.138 19660 2887 1 11 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.526 0.327 19660 2888 1 11 . 1 1 30 30 GLU H H 30 8.419 8.419 8.618 -0.199 19660 2889 1 11 . 1 1 31 31 TYR N N 31 119.914 119.914 121.344 -1.430 19660 2890 1 11 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.998 -0.008 19660 2891 1 11 . 1 1 31 31 TYR C C 31 173.240 173.240 172.813 0.427 19660 2892 1 11 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.575 0.784 19660 2893 1 11 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.420 0.339 19660 2894 1 11 . 1 1 31 31 TYR H H 31 9.089 9.089 8.718 0.371 19660 2895 1 11 . 1 1 32 32 LYS N N 32 121.363 121.363 120.507 0.856 19660 2896 1 11 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.825 0.631 19660 2897 1 11 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.049 -0.115 19660 2898 1 11 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.892 1.450 19660 2899 1 11 . 1 1 32 32 LYS H H 32 8.643 8.643 8.504 0.139 19660 2900 1 11 . 1 1 33 33 SER N N 33 113.477 113.477 117.323 -3.846 19660 2901 1 11 . 1 1 33 33 SER HA H 33 4.599 4.599 4.781 -0.182 19660 2902 1 11 . 1 1 33 33 SER C C 33 174.210 174.210 172.459 1.751 19660 2903 1 11 . 1 1 33 33 SER CA C 33 58.123 58.123 58.177 -0.054 19660 2904 1 11 . 1 1 33 33 SER CB C 33 66.263 66.263 65.347 0.916 19660 2905 1 11 . 1 1 33 33 SER H H 33 8.151 8.151 8.163 -0.012 19660 2906 1 11 . 1 1 34 34 CYS N N 34 118.998 118.998 121.798 -2.800 19660 2907 1 11 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.623 0.671 19660 2908 1 11 . 1 1 34 34 CYS C C 34 175.636 175.636 173.268 2.368 19660 2909 1 11 . 1 1 34 34 CYS CA C 34 58.728 58.728 58.709 0.020 19660 2910 1 11 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.846 15.668 19660 2911 1 11 . 1 1 34 34 CYS H H 34 8.652 8.652 8.653 -0.001 19660 2912 1 11 . 1 1 35 35 GLY N N 35 112.013 112.013 107.453 4.560 19660 2913 1 11 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.927 -0.005 19660 2914 1 11 . 1 1 35 35 GLY H H 35 9.451 9.451 8.353 1.098 19660 2915 1 11 . 1 1 36 36 ILE N N 36 118.738 118.738 119.812 -1.074 19660 2916 1 11 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.713 0.138 19660 2917 1 11 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.289 0.588 19660 2918 1 11 . 1 1 36 36 ILE H H 36 8.576 8.576 7.570 1.006 19660 2919 1 11 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.818 0.129 19660 2920 1 11 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.267 -0.002 19660 2921 1 11 . 1 1 38 38 GLU N N 38 117.838 117.838 117.799 0.039 19660 2922 1 11 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.094 -0.040 19660 2923 1 11 . 1 1 38 38 GLU C C 38 177.610 177.610 177.967 -0.357 19660 2924 1 11 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.129 0.702 19660 2925 1 11 . 1 1 38 38 GLU H H 38 9.140 9.140 8.789 0.351 19660 2926 1 11 . 1 1 39 39 GLU N N 39 117.727 117.727 118.119 -0.392 19660 2927 1 11 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.310 0.052 19660 2928 1 11 . 1 1 39 39 GLU C C 39 177.387 177.387 179.218 -1.831 19660 2929 1 11 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.304 -1.147 19660 2930 1 11 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.270 -0.462 19660 2931 1 11 . 1 1 39 39 GLU H H 39 7.933 7.933 7.847 0.086 19660 2932 1 11 . 1 1 40 40 CYS N N 40 117.847 117.847 119.890 -2.043 19660 2933 1 11 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.341 0.031 19660 2934 1 11 . 1 1 40 40 CYS C C 40 174.430 174.430 176.987 -2.557 19660 2935 1 11 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.507 -3.720 19660 2936 1 11 . 1 1 40 40 CYS CB C 40 44.304 44.304 26.240 18.064 19660 2937 1 11 . 1 1 40 40 CYS H H 40 7.745 7.745 8.734 -0.989 19660 2938 1 11 . 1 1 41 41 GLU N N 41 120.521 120.521 119.805 0.716 19660 2939 1 11 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.014 0.324 19660 2940 1 11 . 1 1 41 41 GLU CA C 41 56.224 56.224 58.709 -2.485 19660 2941 1 11 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.387 1.713 19660 2942 1 11 . 1 1 41 41 GLU H H 41 7.680 7.680 8.285 -0.605 19660 2943 1 11 . 1 1 42 42 ASP N N 42 121.236 121.236 118.619 2.617 19660 2944 1 11 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.369 0.223 19660 2945 1 11 . 1 1 42 42 ASP CA C 42 54.574 54.574 55.720 -1.146 19660 2946 1 11 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.355 0.839 19660 2947 1 11 . 1 1 42 42 ASP H H 42 8.254 8.254 7.600 0.654 19660 2948 1 11 . 1 1 43 43 ALA N N 43 124.610 124.610 123.618 0.992 19660 2949 1 11 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.310 0.170 19660 2950 1 11 . 1 1 43 43 ALA CA C 43 51.986 51.986 51.639 0.346 19660 2951 1 11 . 1 1 43 43 ALA CB C 43 20.651 20.651 17.971 2.680 19660 2952 1 11 . 1 1 43 43 ALA H H 43 8.104 8.104 7.486 0.618 19660 2953 1 11 . 1 1 44 44 GLU N N 44 121.280 121.280 124.491 -3.211 19660 2954 1 11 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.156 0.071 19660 2955 1 11 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.443 -0.230 19660 2956 1 11 . 1 1 44 44 GLU H H 44 8.565 8.565 7.924 0.641 19660 2957 1 11 . 1 1 45 45 GLY N N 45 111.878 111.878 111.836 0.042 19660 2958 1 11 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.635 1.162 19660 2959 1 11 . 1 1 45 45 GLY H H 45 8.749 8.749 8.940 -0.191 19660 2960 1 11 . 1 1 46 46 ALA N N 46 122.249 122.249 124.188 -1.939 19660 2961 1 11 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.688 -0.132 19660 2962 1 11 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.442 -0.193 19660 2963 1 11 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.627 0.721 19660 2964 1 11 . 1 1 46 46 ALA H H 46 7.818 7.818 7.549 0.269 19660 2965 1 11 . 1 1 47 47 THR N N 47 116.571 116.571 117.249 -0.678 19660 2966 1 11 . 1 1 47 47 THR HA H 47 4.305 4.305 4.455 -0.150 19660 2967 1 11 . 1 1 47 47 THR CA C 47 61.924 61.924 61.620 0.304 19660 2968 1 11 . 1 1 47 47 THR H H 47 8.387 8.387 8.258 0.129 19660 2969 1 11 . 1 1 48 48 VAL N N 48 127.683 127.683 125.620 2.063 19660 2970 1 11 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.259 0.374 19660 2971 1 11 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.056 2.279 19660 2972 1 11 . 1 1 48 48 VAL H H 48 8.695 8.695 8.477 0.218 19660 2973 1 11 . 1 1 49 49 LEU N N 49 129.662 129.662 128.473 1.189 19660 2974 1 11 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.646 0.076 19660 2975 1 11 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.592 -0.782 19660 2976 1 11 . 1 1 49 49 LEU CB C 49 44.590 44.590 43.749 0.841 19660 2977 1 11 . 1 1 49 49 LEU H H 49 8.594 8.594 8.289 0.305 19660 2978 1 11 . 1 1 50 50 CYS N N 50 123.551 123.551 123.581 -0.030 19660 2979 1 11 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.777 0.962 19660 2980 1 11 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.593 -3.304 19660 2981 1 11 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.543 17.881 19660 2982 1 11 . 1 1 50 50 CYS H H 50 8.910 8.910 8.276 0.634 19660 2983 1 11 . 1 1 51 51 CYS N N 51 119.604 119.604 125.865 -6.261 19660 2984 1 11 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.858 0.511 19660 2985 1 11 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.712 -4.113 19660 2986 1 11 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.821 17.683 19660 2987 1 11 . 1 1 51 51 CYS H H 51 9.281 9.281 8.999 0.282 19660 2988 1 11 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.394 0.584 19660 2989 1 11 . 1 1 52 52 PRO C C 52 175.082 175.082 176.433 -1.351 19660 2990 1 11 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.675 0.758 19660 2991 1 11 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.121 0.313 19660 2992 1 11 . 1 1 53 53 GLU N N 53 121.348 121.348 119.876 1.472 19660 2993 1 11 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.431 0.120 19660 2994 1 11 . 1 1 53 53 GLU C C 53 174.317 174.317 175.064 -0.747 19660 2995 1 11 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.415 0.290 19660 2996 1 11 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.776 1.299 19660 2997 1 11 . 1 1 53 53 GLU H H 53 7.232 7.232 7.867 -0.635 19660 2998 1 11 . 1 1 54 54 ASP N N 54 118.893 118.893 118.704 0.189 19660 2999 1 11 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.634 0.236 19660 3000 1 11 . 1 1 54 54 ASP C C 54 177.950 177.950 176.223 1.727 19660 3001 1 11 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.881 1.669 19660 3002 1 11 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.648 -0.061 19660 3003 1 11 . 1 1 54 54 ASP H H 54 8.230 8.230 8.403 -0.173 19660 3004 1 11 . 1 1 55 55 LEU N N 55 113.945 113.945 119.473 -5.528 19660 3005 1 11 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.845 -0.155 19660 3006 1 11 . 1 1 55 55 LEU C C 55 176.734 176.734 176.547 0.187 19660 3007 1 11 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.371 0.275 19660 3008 1 11 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.552 -1.858 19660 3009 1 11 . 1 1 55 55 LEU H H 55 9.462 9.462 8.827 0.635 19660 3010 1 11 . 1 1 56 56 CYS N N 56 112.784 112.784 119.154 -6.370 19660 3011 1 11 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.442 0.072 19660 3012 1 11 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.101 -1.180 19660 3013 1 11 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.851 18.877 19660 3014 1 11 . 1 1 56 56 CYS H H 56 7.647 7.647 9.061 -1.414 19660 3015 1 12 . 1 1 2 2 GLN N N 2 125.663 125.663 120.222 5.441 19660 3016 1 12 . 1 1 2 2 GLN HA H 2 5.398 5.398 4.980 0.418 19660 3017 1 12 . 1 1 2 2 GLN C C 2 174.668 174.668 174.685 -0.017 19660 3018 1 12 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.925 -1.153 19660 3019 1 12 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.229 -1.206 19660 3020 1 12 . 1 1 2 2 GLN H H 2 8.383 8.383 8.514 -0.131 19660 3021 1 12 . 1 1 3 3 CYS N N 3 118.829 118.829 120.078 -1.249 19660 3022 1 12 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.167 -0.021 19660 3023 1 12 . 1 1 3 3 CYS C C 3 174.118 174.118 174.233 -0.115 19660 3024 1 12 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.912 -5.945 19660 3025 1 12 . 1 1 3 3 CYS H H 3 9.023 9.023 9.295 -0.272 19660 3026 1 12 . 1 1 4 4 ASN N N 4 119.446 119.446 120.697 -1.251 19660 3027 1 12 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.886 0.146 19660 3028 1 12 . 1 1 4 4 ASN CA C 4 54.360 54.360 54.072 0.288 19660 3029 1 12 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.000 -0.373 19660 3030 1 12 . 1 1 4 4 ASN H H 4 9.225 9.225 8.708 0.517 19660 3031 1 12 . 1 1 5 5 THR N N 5 109.185 109.185 108.316 0.869 19660 3032 1 12 . 1 1 5 5 THR HA H 5 4.934 4.934 4.874 0.060 19660 3033 1 12 . 1 1 5 5 THR C C 5 176.984 176.984 176.504 0.480 19660 3034 1 12 . 1 1 5 5 THR CA C 5 60.188 60.188 59.356 0.832 19660 3035 1 12 . 1 1 5 5 THR CB C 5 70.286 70.286 72.525 -2.239 19660 3036 1 12 . 1 1 5 5 THR H H 5 7.823 7.823 8.137 -0.314 19660 3037 1 12 . 1 1 6 6 LEU N N 6 123.023 123.023 120.636 2.387 19660 3038 1 12 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.357 -0.384 19660 3039 1 12 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.737 -0.113 19660 3040 1 12 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.722 1.170 19660 3041 1 12 . 1 1 6 6 LEU H H 6 8.958 8.958 8.812 0.146 19660 3042 1 12 . 1 1 7 7 ASP N N 7 115.117 115.117 118.988 -3.871 19660 3043 1 12 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.589 -0.055 19660 3044 1 12 . 1 1 7 7 ASP C C 7 176.415 176.415 177.167 -0.752 19660 3045 1 12 . 1 1 7 7 ASP CA C 7 53.740 53.740 53.995 -0.255 19660 3046 1 12 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.607 -0.452 19660 3047 1 12 . 1 1 7 7 ASP H H 7 8.258 8.258 7.766 0.492 19660 3048 1 12 . 1 1 8 8 GLY N N 8 106.811 106.811 106.158 0.653 19660 3049 1 12 . 1 1 8 8 GLY C C 8 174.831 174.831 174.812 0.019 19660 3050 1 12 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.991 0.418 19660 3051 1 12 . 1 1 8 8 GLY H H 8 7.669 7.669 7.751 -0.082 19660 3052 1 12 . 1 1 9 9 GLY N N 9 109.185 109.185 109.050 0.135 19660 3053 1 12 . 1 1 9 9 GLY C C 9 173.522 173.522 172.854 0.668 19660 3054 1 12 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.085 -0.007 19660 3055 1 12 . 1 1 9 9 GLY H H 9 7.501 7.501 7.770 -0.269 19660 3056 1 12 . 1 1 10 10 THR N N 10 109.837 109.837 111.618 -1.781 19660 3057 1 12 . 1 1 10 10 THR HA H 10 5.220 5.220 4.708 0.512 19660 3058 1 12 . 1 1 10 10 THR CA C 10 60.357 60.357 60.493 -0.136 19660 3059 1 12 . 1 1 10 10 THR CB C 10 72.680 72.680 71.277 1.403 19660 3060 1 12 . 1 1 10 10 THR H H 10 8.115 8.115 8.003 0.112 19660 3061 1 12 . 1 1 11 11 GLU N N 11 121.356 121.356 122.321 -0.965 19660 3062 1 12 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.782 -0.156 19660 3063 1 12 . 1 1 11 11 GLU C C 11 174.150 174.150 175.188 -1.038 19660 3064 1 12 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.505 0.163 19660 3065 1 12 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.103 0.241 19660 3066 1 12 . 1 1 11 11 GLU H H 11 9.133 9.133 9.276 -0.143 19660 3067 1 12 . 1 1 12 12 GLU N N 12 125.546 125.546 120.629 4.917 19660 3068 1 12 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.509 -0.043 19660 3069 1 12 . 1 1 12 12 GLU C C 12 176.388 176.388 176.039 0.349 19660 3070 1 12 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.279 0.328 19660 3071 1 12 . 1 1 12 12 GLU CB C 12 29.840 29.840 30.070 -0.230 19660 3072 1 12 . 1 1 12 12 GLU H H 12 8.710 8.710 8.588 0.122 19660 3073 1 12 . 1 1 13 13 CYS N N 13 125.853 125.853 125.301 0.552 19660 3074 1 12 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.936 -0.019 19660 3075 1 12 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.699 -6.073 19660 3076 1 12 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.800 10.484 19660 3077 1 12 . 1 1 13 13 CYS H H 13 8.840 8.840 8.338 0.502 19660 3078 1 12 . 1 1 14 14 ILE N N 14 127.700 127.700 123.757 3.943 19660 3079 1 12 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.563 -0.271 19660 3080 1 12 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.872 1.514 19660 3081 1 12 . 1 1 14 14 ILE H H 14 8.387 8.387 8.430 -0.043 19660 3082 1 12 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.370 0.059 19660 3083 1 12 . 1 1 15 15 PRO CA C 15 63.787 63.787 64.895 -1.108 19660 3084 1 12 . 1 1 15 15 PRO CB C 15 32.406 32.406 31.517 0.889 19660 3085 1 12 . 1 1 16 16 GLY N N 16 111.774 111.774 105.399 6.375 19660 3086 1 12 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.398 0.636 19660 3087 1 12 . 1 1 16 16 GLY H H 16 8.752 8.752 8.522 0.230 19660 3088 1 12 . 1 1 17 17 ILE N N 17 118.758 118.758 116.591 2.167 19660 3089 1 12 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.088 -0.118 19660 3090 1 12 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.293 0.795 19660 3091 1 12 . 1 1 17 17 ILE CB C 17 39.291 39.291 39.388 -0.097 19660 3092 1 12 . 1 1 17 17 ILE H H 17 7.527 7.527 7.264 0.263 19660 3093 1 12 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.557 0.143 19660 3094 1 12 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.986 0.387 19660 3095 1 12 . 1 1 18 18 TYR CB C 18 39.765 39.765 36.256 3.509 19660 3096 1 12 . 1 1 19 19 ASN N N 19 118.488 118.488 119.233 -0.745 19660 3097 1 12 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.834 -0.086 19660 3098 1 12 . 1 1 19 19 ASN C C 19 174.728 174.728 175.315 -0.587 19660 3099 1 12 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.294 -0.498 19660 3100 1 12 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.377 -1.988 19660 3101 1 12 . 1 1 19 19 ASN H H 19 8.512 8.512 8.863 -0.351 19660 3102 1 12 . 1 1 20 20 VAL N N 20 114.324 114.324 115.113 -0.789 19660 3103 1 12 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.649 0.038 19660 3104 1 12 . 1 1 20 20 VAL C C 20 173.641 173.641 173.835 -0.194 19660 3105 1 12 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.505 -0.383 19660 3106 1 12 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.067 1.874 19660 3107 1 12 . 1 1 20 20 VAL H H 20 8.064 8.064 8.053 0.011 19660 3108 1 12 . 1 1 21 21 CYS N N 21 117.375 117.375 115.700 1.675 19660 3109 1 12 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.807 0.724 19660 3110 1 12 . 1 1 21 21 CYS C C 21 169.343 169.343 172.757 -3.414 19660 3111 1 12 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.916 -5.416 19660 3112 1 12 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.983 8.437 19660 3113 1 12 . 1 1 21 21 CYS H H 21 9.308 9.308 8.150 1.158 19660 3114 1 12 . 1 1 22 22 VAL N N 22 118.966 118.966 120.910 -1.944 19660 3115 1 12 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.496 0.983 19660 3116 1 12 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.732 -1.128 19660 3117 1 12 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.279 0.958 19660 3118 1 12 . 1 1 22 22 VAL H H 22 9.168 9.168 8.372 0.796 19660 3119 1 12 . 1 1 23 23 HIS N N 23 127.041 127.041 126.565 0.476 19660 3120 1 12 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.759 0.756 19660 3121 1 12 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.380 -0.142 19660 3122 1 12 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.710 2.692 19660 3123 1 12 . 1 1 23 23 HIS H H 23 9.214 9.214 8.521 0.693 19660 3124 1 12 . 1 1 24 24 TYR N N 24 132.376 132.376 129.472 2.904 19660 3125 1 12 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.435 0.188 19660 3126 1 12 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.030 -0.380 19660 3127 1 12 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.523 1.525 19660 3128 1 12 . 1 1 24 24 TYR H H 24 8.967 8.967 8.810 0.157 19660 3129 1 12 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.443 0.386 19660 3130 1 12 . 1 1 25 25 LYS C C 25 173.479 173.479 174.915 -1.436 19660 3131 1 12 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.404 0.844 19660 3132 1 12 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.171 2.098 19660 3133 1 12 . 1 1 25 25 LYS H H 25 8.028 8.028 8.160 -0.132 19660 3134 1 12 . 1 1 26 26 SER N N 26 125.633 125.633 121.238 4.395 19660 3135 1 12 . 1 1 26 26 SER HA H 26 4.959 4.959 4.694 0.265 19660 3136 1 12 . 1 1 26 26 SER C C 26 174.081 174.081 173.578 0.503 19660 3137 1 12 . 1 1 26 26 SER CA C 26 56.012 56.012 57.301 -1.289 19660 3138 1 12 . 1 1 26 26 SER CB C 26 66.581 66.581 65.826 0.755 19660 3139 1 12 . 1 1 26 26 SER H H 26 9.314 9.314 8.566 0.748 19660 3140 1 12 . 1 1 27 27 GLU N N 27 118.790 118.790 121.249 -2.459 19660 3141 1 12 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.116 -0.040 19660 3142 1 12 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.891 1.258 19660 3143 1 12 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.752 -0.240 19660 3144 1 12 . 1 1 27 27 GLU H H 27 8.848 8.848 8.606 0.242 19660 3145 1 12 . 1 1 28 28 ASP N N 28 114.555 114.555 119.961 -5.406 19660 3146 1 12 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.686 0.132 19660 3147 1 12 . 1 1 28 28 ASP C C 28 175.500 175.500 175.641 -0.141 19660 3148 1 12 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.971 -0.406 19660 3149 1 12 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.577 1.705 19660 3150 1 12 . 1 1 28 28 ASP H H 28 8.145 8.145 8.338 -0.193 19660 3151 1 12 . 1 1 29 29 GLU N N 29 119.483 119.483 118.021 1.462 19660 3152 1 12 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.589 0.196 19660 3153 1 12 . 1 1 29 29 GLU C C 29 173.282 173.282 173.938 -0.656 19660 3154 1 12 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.526 0.145 19660 3155 1 12 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.555 1.315 19660 3156 1 12 . 1 1 29 29 GLU H H 29 7.774 7.774 7.948 -0.174 19660 3157 1 12 . 1 1 30 30 GLU N N 30 122.376 122.376 121.463 0.913 19660 3158 1 12 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.885 0.598 19660 3159 1 12 . 1 1 30 30 GLU C C 30 174.486 174.486 174.697 -0.211 19660 3160 1 12 . 1 1 30 30 GLU CA C 30 55.052 55.052 55.977 -0.925 19660 3161 1 12 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.215 0.638 19660 3162 1 12 . 1 1 30 30 GLU H H 30 8.419 8.419 8.618 -0.199 19660 3163 1 12 . 1 1 31 31 TYR N N 31 119.914 119.914 121.972 -2.058 19660 3164 1 12 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.988 0.002 19660 3165 1 12 . 1 1 31 31 TYR C C 31 173.240 173.240 173.008 0.232 19660 3166 1 12 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.448 0.910 19660 3167 1 12 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.359 -0.600 19660 3168 1 12 . 1 1 31 31 TYR H H 31 9.089 9.089 8.678 0.411 19660 3169 1 12 . 1 1 32 32 LYS N N 32 121.363 121.363 120.257 1.106 19660 3170 1 12 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.837 0.619 19660 3171 1 12 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.088 -0.154 19660 3172 1 12 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.796 1.546 19660 3173 1 12 . 1 1 32 32 LYS H H 32 8.643 8.643 8.530 0.113 19660 3174 1 12 . 1 1 33 33 SER N N 33 113.477 113.477 117.285 -3.808 19660 3175 1 12 . 1 1 33 33 SER HA H 33 4.599 4.599 4.724 -0.125 19660 3176 1 12 . 1 1 33 33 SER C C 33 174.210 174.210 172.526 1.684 19660 3177 1 12 . 1 1 33 33 SER CA C 33 58.123 58.123 58.569 -0.446 19660 3178 1 12 . 1 1 33 33 SER CB C 33 66.263 66.263 65.543 0.720 19660 3179 1 12 . 1 1 33 33 SER H H 33 8.151 8.151 8.116 0.035 19660 3180 1 12 . 1 1 34 34 CYS N N 34 118.998 118.998 122.032 -3.034 19660 3181 1 12 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.611 0.683 19660 3182 1 12 . 1 1 34 34 CYS C C 34 175.636 175.636 173.260 2.376 19660 3183 1 12 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.279 -0.551 19660 3184 1 12 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.097 15.417 19660 3185 1 12 . 1 1 34 34 CYS H H 34 8.652 8.652 8.638 0.014 19660 3186 1 12 . 1 1 35 35 GLY N N 35 112.013 112.013 108.429 3.584 19660 3187 1 12 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.857 0.065 19660 3188 1 12 . 1 1 35 35 GLY H H 35 9.451 9.451 8.445 1.006 19660 3189 1 12 . 1 1 36 36 ILE N N 36 118.738 118.738 120.233 -1.495 19660 3190 1 12 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.771 0.080 19660 3191 1 12 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.323 0.554 19660 3192 1 12 . 1 1 36 36 ILE H H 36 8.576 8.576 8.074 0.502 19660 3193 1 12 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.872 0.075 19660 3194 1 12 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.292 -0.027 19660 3195 1 12 . 1 1 38 38 GLU N N 38 117.838 117.838 116.681 1.157 19660 3196 1 12 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.005 0.049 19660 3197 1 12 . 1 1 38 38 GLU C C 38 177.610 177.610 177.314 0.296 19660 3198 1 12 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.228 0.603 19660 3199 1 12 . 1 1 38 38 GLU H H 38 9.140 9.140 8.604 0.536 19660 3200 1 12 . 1 1 39 39 GLU N N 39 117.727 117.727 117.272 0.455 19660 3201 1 12 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.297 0.065 19660 3202 1 12 . 1 1 39 39 GLU C C 39 177.387 177.387 179.193 -1.806 19660 3203 1 12 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.399 -1.242 19660 3204 1 12 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.063 -0.255 19660 3205 1 12 . 1 1 39 39 GLU H H 39 7.933 7.933 7.849 0.084 19660 3206 1 12 . 1 1 40 40 CYS N N 40 117.847 117.847 119.750 -1.903 19660 3207 1 12 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.259 0.113 19660 3208 1 12 . 1 1 40 40 CYS C C 40 174.430 174.430 176.659 -2.229 19660 3209 1 12 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.652 -3.865 19660 3210 1 12 . 1 1 40 40 CYS CB C 40 44.304 44.304 26.252 18.052 19660 3211 1 12 . 1 1 40 40 CYS H H 40 7.745 7.745 8.621 -0.876 19660 3212 1 12 . 1 1 41 41 GLU N N 41 120.521 120.521 118.737 1.784 19660 3213 1 12 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.247 0.091 19660 3214 1 12 . 1 1 41 41 GLU CA C 41 56.224 56.224 57.130 -0.906 19660 3215 1 12 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.163 1.938 19660 3216 1 12 . 1 1 41 41 GLU H H 41 7.680 7.680 8.080 -0.400 19660 3217 1 12 . 1 1 42 42 ASP N N 42 121.236 121.236 120.311 0.925 19660 3218 1 12 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.491 0.101 19660 3219 1 12 . 1 1 42 42 ASP CA C 42 54.574 54.574 55.885 -1.311 19660 3220 1 12 . 1 1 42 42 ASP CB C 42 41.194 41.194 41.268 -0.074 19660 3221 1 12 . 1 1 42 42 ASP H H 42 8.254 8.254 7.821 0.433 19660 3222 1 12 . 1 1 43 43 ALA N N 43 124.610 124.610 123.572 1.038 19660 3223 1 12 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.356 0.124 19660 3224 1 12 . 1 1 43 43 ALA CA C 43 51.986 51.986 51.266 0.720 19660 3225 1 12 . 1 1 43 43 ALA CB C 43 20.651 20.651 17.998 2.653 19660 3226 1 12 . 1 1 43 43 ALA H H 43 8.104 8.104 7.501 0.603 19660 3227 1 12 . 1 1 44 44 GLU N N 44 121.280 121.280 123.931 -2.651 19660 3228 1 12 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.078 0.149 19660 3229 1 12 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.448 -0.235 19660 3230 1 12 . 1 1 44 44 GLU H H 44 8.565 8.565 7.922 0.643 19660 3231 1 12 . 1 1 45 45 GLY N N 45 111.878 111.878 112.214 -0.336 19660 3232 1 12 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.712 1.085 19660 3233 1 12 . 1 1 45 45 GLY H H 45 8.749 8.749 8.870 -0.121 19660 3234 1 12 . 1 1 46 46 ALA N N 46 122.249 122.249 123.790 -1.541 19660 3235 1 12 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.657 -0.101 19660 3236 1 12 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.410 -0.161 19660 3237 1 12 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.479 0.869 19660 3238 1 12 . 1 1 46 46 ALA H H 46 7.818 7.818 7.963 -0.145 19660 3239 1 12 . 1 1 47 47 THR N N 47 116.571 116.571 116.019 0.552 19660 3240 1 12 . 1 1 47 47 THR HA H 47 4.305 4.305 4.501 -0.196 19660 3241 1 12 . 1 1 47 47 THR CA C 47 61.924 61.924 62.087 -0.163 19660 3242 1 12 . 1 1 47 47 THR H H 47 8.387 8.387 8.254 0.133 19660 3243 1 12 . 1 1 48 48 VAL N N 48 127.683 127.683 127.028 0.655 19660 3244 1 12 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.305 0.328 19660 3245 1 12 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.715 1.620 19660 3246 1 12 . 1 1 48 48 VAL H H 48 8.695 8.695 8.460 0.235 19660 3247 1 12 . 1 1 49 49 LEU N N 49 129.662 129.662 128.971 0.691 19660 3248 1 12 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.704 0.018 19660 3249 1 12 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.042 -0.232 19660 3250 1 12 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.228 0.362 19660 3251 1 12 . 1 1 49 49 LEU H H 49 8.594 8.594 8.280 0.314 19660 3252 1 12 . 1 1 50 50 CYS N N 50 123.551 123.551 122.366 1.185 19660 3253 1 12 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.896 0.843 19660 3254 1 12 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.377 -3.088 19660 3255 1 12 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.530 17.894 19660 3256 1 12 . 1 1 50 50 CYS H H 50 8.910 8.910 8.335 0.575 19660 3257 1 12 . 1 1 51 51 CYS N N 51 119.604 119.604 125.979 -6.375 19660 3258 1 12 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.856 0.513 19660 3259 1 12 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.736 -4.137 19660 3260 1 12 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.693 17.811 19660 3261 1 12 . 1 1 51 51 CYS H H 51 9.281 9.281 8.962 0.319 19660 3262 1 12 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.305 0.673 19660 3263 1 12 . 1 1 52 52 PRO C C 52 175.082 175.082 176.695 -1.613 19660 3264 1 12 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.724 0.710 19660 3265 1 12 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.050 0.384 19660 3266 1 12 . 1 1 53 53 GLU N N 53 121.348 121.348 119.837 1.511 19660 3267 1 12 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.376 0.175 19660 3268 1 12 . 1 1 53 53 GLU C C 53 174.317 174.317 174.717 -0.400 19660 3269 1 12 . 1 1 53 53 GLU CA C 53 55.705 55.705 54.828 0.877 19660 3270 1 12 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.627 1.448 19660 3271 1 12 . 1 1 53 53 GLU H H 53 7.232 7.232 7.863 -0.631 19660 3272 1 12 . 1 1 54 54 ASP N N 54 118.893 118.893 119.184 -0.291 19660 3273 1 12 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.690 0.180 19660 3274 1 12 . 1 1 54 54 ASP C C 54 177.950 177.950 175.951 1.999 19660 3275 1 12 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.875 1.675 19660 3276 1 12 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.705 -0.118 19660 3277 1 12 . 1 1 54 54 ASP H H 54 8.230 8.230 8.394 -0.164 19660 3278 1 12 . 1 1 55 55 LEU N N 55 113.945 113.945 120.120 -6.175 19660 3279 1 12 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.878 -0.188 19660 3280 1 12 . 1 1 55 55 LEU C C 55 176.734 176.734 176.527 0.207 19660 3281 1 12 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.380 0.266 19660 3282 1 12 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.367 -1.673 19660 3283 1 12 . 1 1 55 55 LEU H H 55 9.462 9.462 8.889 0.573 19660 3284 1 12 . 1 1 56 56 CYS N N 56 112.784 112.784 118.800 -6.016 19660 3285 1 12 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.413 0.101 19660 3286 1 12 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.009 -1.088 19660 3287 1 12 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.852 18.876 19660 3288 1 12 . 1 1 56 56 CYS H H 56 7.647 7.647 9.034 -1.387 19660 3289 1 13 . 1 1 2 2 GLN N N 2 125.663 125.663 118.550 7.113 19660 3290 1 13 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.046 0.352 19660 3291 1 13 . 1 1 2 2 GLN C C 2 174.668 174.668 174.892 -0.224 19660 3292 1 13 . 1 1 2 2 GLN CA C 2 53.772 53.772 55.170 -1.398 19660 3293 1 13 . 1 1 2 2 GLN CB C 2 32.023 32.023 32.543 -0.520 19660 3294 1 13 . 1 1 2 2 GLN H H 2 8.383 8.383 8.404 -0.021 19660 3295 1 13 . 1 1 3 3 CYS N N 3 118.829 118.829 121.646 -2.817 19660 3296 1 13 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.101 0.045 19660 3297 1 13 . 1 1 3 3 CYS C C 3 174.118 174.118 173.930 0.188 19660 3298 1 13 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.740 -5.773 19660 3299 1 13 . 1 1 3 3 CYS H H 3 9.023 9.023 9.276 -0.253 19660 3300 1 13 . 1 1 4 4 ASN N N 4 119.446 119.446 120.828 -1.382 19660 3301 1 13 . 1 1 4 4 ASN HA H 4 5.032 5.032 5.154 -0.122 19660 3302 1 13 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.802 0.558 19660 3303 1 13 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.264 -0.637 19660 3304 1 13 . 1 1 4 4 ASN H H 4 9.225 9.225 8.485 0.740 19660 3305 1 13 . 1 1 5 5 THR N N 5 109.185 109.185 110.741 -1.556 19660 3306 1 13 . 1 1 5 5 THR HA H 5 4.934 4.934 4.806 0.128 19660 3307 1 13 . 1 1 5 5 THR C C 5 176.984 176.984 175.921 1.063 19660 3308 1 13 . 1 1 5 5 THR CA C 5 60.188 60.188 60.043 0.145 19660 3309 1 13 . 1 1 5 5 THR CB C 5 70.286 70.286 72.076 -1.790 19660 3310 1 13 . 1 1 5 5 THR H H 5 7.823 7.823 8.122 -0.299 19660 3311 1 13 . 1 1 6 6 LEU N N 6 123.023 123.023 120.361 2.662 19660 3312 1 13 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.296 -0.323 19660 3313 1 13 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.266 0.358 19660 3314 1 13 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.960 0.932 19660 3315 1 13 . 1 1 6 6 LEU H H 6 8.958 8.958 8.962 -0.004 19660 3316 1 13 . 1 1 7 7 ASP N N 7 115.117 115.117 118.698 -3.581 19660 3317 1 13 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.524 0.010 19660 3318 1 13 . 1 1 7 7 ASP C C 7 176.415 176.415 176.919 -0.504 19660 3319 1 13 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.327 -0.587 19660 3320 1 13 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.959 -0.804 19660 3321 1 13 . 1 1 7 7 ASP H H 7 8.258 8.258 7.976 0.282 19660 3322 1 13 . 1 1 8 8 GLY N N 8 106.811 106.811 106.354 0.457 19660 3323 1 13 . 1 1 8 8 GLY C C 8 174.831 174.831 175.144 -0.313 19660 3324 1 13 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.891 0.518 19660 3325 1 13 . 1 1 8 8 GLY H H 8 7.669 7.669 7.852 -0.183 19660 3326 1 13 . 1 1 9 9 GLY N N 9 109.185 109.185 108.004 1.181 19660 3327 1 13 . 1 1 9 9 GLY C C 9 173.522 173.522 173.042 0.480 19660 3328 1 13 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.609 -0.531 19660 3329 1 13 . 1 1 9 9 GLY H H 9 7.501 7.501 8.012 -0.511 19660 3330 1 13 . 1 1 10 10 THR N N 10 109.837 109.837 110.989 -1.152 19660 3331 1 13 . 1 1 10 10 THR HA H 10 5.220 5.220 4.789 0.431 19660 3332 1 13 . 1 1 10 10 THR CA C 10 60.357 60.357 60.626 -0.269 19660 3333 1 13 . 1 1 10 10 THR CB C 10 72.680 72.680 71.426 1.254 19660 3334 1 13 . 1 1 10 10 THR H H 10 8.115 8.115 8.010 0.105 19660 3335 1 13 . 1 1 11 11 GLU N N 11 121.356 121.356 123.030 -1.674 19660 3336 1 13 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.752 -0.126 19660 3337 1 13 . 1 1 11 11 GLU C C 11 174.150 174.150 175.194 -1.044 19660 3338 1 13 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.356 0.313 19660 3339 1 13 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.570 -0.226 19660 3340 1 13 . 1 1 11 11 GLU H H 11 9.133 9.133 9.179 -0.046 19660 3341 1 13 . 1 1 12 12 GLU N N 12 125.546 125.546 121.096 4.450 19660 3342 1 13 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.653 -0.187 19660 3343 1 13 . 1 1 12 12 GLU C C 12 176.388 176.388 175.956 0.432 19660 3344 1 13 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.204 0.403 19660 3345 1 13 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.944 -0.104 19660 3346 1 13 . 1 1 12 12 GLU H H 12 8.710 8.710 8.596 0.114 19660 3347 1 13 . 1 1 13 13 CYS N N 13 125.853 125.853 124.868 0.985 19660 3348 1 13 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.794 0.123 19660 3349 1 13 . 1 1 13 13 CYS CA C 13 52.626 52.626 59.008 -6.382 19660 3350 1 13 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.628 10.656 19660 3351 1 13 . 1 1 13 13 CYS H H 13 8.840 8.840 8.481 0.359 19660 3352 1 13 . 1 1 14 14 ILE N N 14 127.700 127.700 123.902 3.798 19660 3353 1 13 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.519 -0.227 19660 3354 1 13 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.897 1.489 19660 3355 1 13 . 1 1 14 14 ILE H H 14 8.387 8.387 8.511 -0.124 19660 3356 1 13 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.414 0.015 19660 3357 1 13 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.523 0.264 19660 3358 1 13 . 1 1 15 15 PRO CB C 15 32.406 32.406 31.728 0.678 19660 3359 1 13 . 1 1 16 16 GLY N N 16 111.774 111.774 112.015 -0.241 19660 3360 1 13 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.123 0.911 19660 3361 1 13 . 1 1 16 16 GLY H H 16 8.752 8.752 8.696 0.056 19660 3362 1 13 . 1 1 17 17 ILE N N 17 118.758 118.758 122.169 -3.411 19660 3363 1 13 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.071 -0.101 19660 3364 1 13 . 1 1 17 17 ILE CA C 17 62.088 62.088 62.155 -0.067 19660 3365 1 13 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.761 0.530 19660 3366 1 13 . 1 1 17 17 ILE H H 17 7.527 7.527 7.611 -0.084 19660 3367 1 13 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.869 -0.169 19660 3368 1 13 . 1 1 18 18 TYR CA C 18 57.373 57.373 55.913 1.460 19660 3369 1 13 . 1 1 18 18 TYR CB C 18 39.765 39.765 37.675 2.090 19660 3370 1 13 . 1 1 19 19 ASN N N 19 118.488 118.488 121.315 -2.827 19660 3371 1 13 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.850 -0.102 19660 3372 1 13 . 1 1 19 19 ASN C C 19 174.728 174.728 174.850 -0.122 19660 3373 1 13 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.520 -0.724 19660 3374 1 13 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.158 -1.769 19660 3375 1 13 . 1 1 19 19 ASN H H 19 8.512 8.512 8.988 -0.476 19660 3376 1 13 . 1 1 20 20 VAL N N 20 114.324 114.324 114.281 0.043 19660 3377 1 13 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.582 0.105 19660 3378 1 13 . 1 1 20 20 VAL C C 20 173.641 173.641 173.900 -0.259 19660 3379 1 13 . 1 1 20 20 VAL CA C 20 60.122 60.122 59.996 0.126 19660 3380 1 13 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.300 1.641 19660 3381 1 13 . 1 1 20 20 VAL H H 20 8.064 8.064 7.899 0.165 19660 3382 1 13 . 1 1 21 21 CYS N N 21 117.375 117.375 116.994 0.381 19660 3383 1 13 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.845 0.686 19660 3384 1 13 . 1 1 21 21 CYS C C 21 169.343 169.343 172.791 -3.448 19660 3385 1 13 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.729 -5.229 19660 3386 1 13 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.379 9.041 19660 3387 1 13 . 1 1 21 21 CYS H H 21 9.308 9.308 8.227 1.081 19660 3388 1 13 . 1 1 22 22 VAL N N 22 118.966 118.966 120.674 -1.708 19660 3389 1 13 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.433 1.046 19660 3390 1 13 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.252 -0.648 19660 3391 1 13 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.157 1.080 19660 3392 1 13 . 1 1 22 22 VAL H H 22 9.168 9.168 8.083 1.085 19660 3393 1 13 . 1 1 23 23 HIS N N 23 127.041 127.041 126.132 0.909 19660 3394 1 13 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.763 0.752 19660 3395 1 13 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.769 -0.531 19660 3396 1 13 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.642 2.760 19660 3397 1 13 . 1 1 23 23 HIS H H 23 9.214 9.214 8.529 0.685 19660 3398 1 13 . 1 1 24 24 TYR N N 24 132.376 132.376 129.511 2.865 19660 3399 1 13 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.440 0.183 19660 3400 1 13 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.094 -0.444 19660 3401 1 13 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.498 1.550 19660 3402 1 13 . 1 1 24 24 TYR H H 24 8.967 8.967 8.784 0.183 19660 3403 1 13 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.426 0.403 19660 3404 1 13 . 1 1 25 25 LYS C C 25 173.479 173.479 174.964 -1.485 19660 3405 1 13 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.417 0.831 19660 3406 1 13 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.462 1.807 19660 3407 1 13 . 1 1 25 25 LYS H H 25 8.028 8.028 8.195 -0.167 19660 3408 1 13 . 1 1 26 26 SER N N 26 125.633 125.633 120.758 4.875 19660 3409 1 13 . 1 1 26 26 SER HA H 26 4.959 4.959 4.705 0.254 19660 3410 1 13 . 1 1 26 26 SER C C 26 174.081 174.081 173.617 0.464 19660 3411 1 13 . 1 1 26 26 SER CA C 26 56.012 56.012 57.328 -1.316 19660 3412 1 13 . 1 1 26 26 SER CB C 26 66.581 66.581 65.999 0.582 19660 3413 1 13 . 1 1 26 26 SER H H 26 9.314 9.314 8.620 0.694 19660 3414 1 13 . 1 1 27 27 GLU N N 27 118.790 118.790 121.389 -2.599 19660 3415 1 13 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.136 -0.060 19660 3416 1 13 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.907 1.242 19660 3417 1 13 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.770 -0.259 19660 3418 1 13 . 1 1 27 27 GLU H H 27 8.848 8.848 8.615 0.233 19660 3419 1 13 . 1 1 28 28 ASP N N 28 114.555 114.555 120.104 -5.549 19660 3420 1 13 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.685 0.133 19660 3421 1 13 . 1 1 28 28 ASP C C 28 175.500 175.500 175.641 -0.141 19660 3422 1 13 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.988 -0.423 19660 3423 1 13 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.599 1.683 19660 3424 1 13 . 1 1 28 28 ASP H H 28 8.145 8.145 8.330 -0.185 19660 3425 1 13 . 1 1 29 29 GLU N N 29 119.483 119.483 117.991 1.492 19660 3426 1 13 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.591 0.194 19660 3427 1 13 . 1 1 29 29 GLU C C 29 173.282 173.282 173.949 -0.667 19660 3428 1 13 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.506 0.165 19660 3429 1 13 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.514 1.356 19660 3430 1 13 . 1 1 29 29 GLU H H 29 7.774 7.774 7.950 -0.176 19660 3431 1 13 . 1 1 30 30 GLU N N 30 122.376 122.376 120.698 1.678 19660 3432 1 13 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.910 0.573 19660 3433 1 13 . 1 1 30 30 GLU C C 30 174.486 174.486 174.284 0.202 19660 3434 1 13 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.179 -1.127 19660 3435 1 13 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.467 0.386 19660 3436 1 13 . 1 1 30 30 GLU H H 30 8.419 8.419 8.618 -0.199 19660 3437 1 13 . 1 1 31 31 TYR N N 31 119.914 119.914 121.342 -1.428 19660 3438 1 13 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.994 -0.004 19660 3439 1 13 . 1 1 31 31 TYR C C 31 173.240 173.240 172.788 0.452 19660 3440 1 13 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.564 0.794 19660 3441 1 13 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.416 0.343 19660 3442 1 13 . 1 1 31 31 TYR H H 31 9.089 9.089 8.676 0.413 19660 3443 1 13 . 1 1 32 32 LYS N N 32 121.363 121.363 120.234 1.129 19660 3444 1 13 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.855 0.601 19660 3445 1 13 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.201 -0.267 19660 3446 1 13 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.758 1.584 19660 3447 1 13 . 1 1 32 32 LYS H H 32 8.643 8.643 8.512 0.131 19660 3448 1 13 . 1 1 33 33 SER N N 33 113.477 113.477 117.835 -4.358 19660 3449 1 13 . 1 1 33 33 SER HA H 33 4.599 4.599 4.758 -0.159 19660 3450 1 13 . 1 1 33 33 SER C C 33 174.210 174.210 172.514 1.696 19660 3451 1 13 . 1 1 33 33 SER CA C 33 58.123 58.123 58.308 -0.185 19660 3452 1 13 . 1 1 33 33 SER CB C 33 66.263 66.263 65.475 0.788 19660 3453 1 13 . 1 1 33 33 SER H H 33 8.151 8.151 8.126 0.025 19660 3454 1 13 . 1 1 34 34 CYS N N 34 118.998 118.998 121.783 -2.785 19660 3455 1 13 . 1 1 34 34 CYS HA H 34 5.294 5.294 5.067 0.227 19660 3456 1 13 . 1 1 34 34 CYS C C 34 175.636 175.636 173.538 2.098 19660 3457 1 13 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.151 -0.423 19660 3458 1 13 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.489 15.024 19660 3459 1 13 . 1 1 34 34 CYS H H 34 8.652 8.652 8.611 0.041 19660 3460 1 13 . 1 1 35 35 GLY N N 35 112.013 112.013 108.358 3.655 19660 3461 1 13 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.996 -0.074 19660 3462 1 13 . 1 1 35 35 GLY H H 35 9.451 9.451 8.443 1.008 19660 3463 1 13 . 1 1 36 36 ILE N N 36 118.738 118.738 119.438 -0.700 19660 3464 1 13 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.754 0.097 19660 3465 1 13 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.970 0.907 19660 3466 1 13 . 1 1 36 36 ILE H H 36 8.576 8.576 7.877 0.699 19660 3467 1 13 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.879 0.068 19660 3468 1 13 . 1 1 37 37 GLN CB C 37 28.265 28.265 27.700 0.565 19660 3469 1 13 . 1 1 38 38 GLU N N 38 117.838 117.838 117.123 0.715 19660 3470 1 13 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.093 -0.039 19660 3471 1 13 . 1 1 38 38 GLU C C 38 177.610 177.610 178.012 -0.402 19660 3472 1 13 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.547 0.284 19660 3473 1 13 . 1 1 38 38 GLU H H 38 9.140 9.140 8.837 0.303 19660 3474 1 13 . 1 1 39 39 GLU N N 39 117.727 117.727 118.070 -0.343 19660 3475 1 13 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.333 0.029 19660 3476 1 13 . 1 1 39 39 GLU C C 39 177.387 177.387 177.699 -0.312 19660 3477 1 13 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.069 -0.912 19660 3478 1 13 . 1 1 39 39 GLU CB C 39 29.808 29.808 29.655 0.153 19660 3479 1 13 . 1 1 39 39 GLU H H 39 7.933 7.933 7.934 -0.001 19660 3480 1 13 . 1 1 40 40 CYS N N 40 117.847 117.847 119.538 -1.691 19660 3481 1 13 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.401 -0.029 19660 3482 1 13 . 1 1 40 40 CYS C C 40 174.430 174.430 176.739 -2.309 19660 3483 1 13 . 1 1 40 40 CYS CA C 40 58.787 58.787 61.903 -3.116 19660 3484 1 13 . 1 1 40 40 CYS CB C 40 44.304 44.304 27.147 17.157 19660 3485 1 13 . 1 1 40 40 CYS H H 40 7.745 7.745 8.305 -0.560 19660 3486 1 13 . 1 1 41 41 GLU N N 41 120.521 120.521 121.227 -0.706 19660 3487 1 13 . 1 1 41 41 GLU HA H 41 4.338 4.338 3.998 0.340 19660 3488 1 13 . 1 1 41 41 GLU CA C 41 56.224 56.224 59.011 -2.787 19660 3489 1 13 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.458 1.642 19660 3490 1 13 . 1 1 41 41 GLU H H 41 7.680 7.680 8.158 -0.478 19660 3491 1 13 . 1 1 42 42 ASP N N 42 121.236 121.236 118.377 2.859 19660 3492 1 13 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.392 0.200 19660 3493 1 13 . 1 1 42 42 ASP CA C 42 54.574 54.574 55.765 -1.191 19660 3494 1 13 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.886 0.308 19660 3495 1 13 . 1 1 42 42 ASP H H 42 8.254 8.254 8.141 0.113 19660 3496 1 13 . 1 1 43 43 ALA N N 43 124.610 124.610 123.154 1.456 19660 3497 1 13 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.239 0.241 19660 3498 1 13 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.229 -0.243 19660 3499 1 13 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.286 2.365 19660 3500 1 13 . 1 1 43 43 ALA H H 43 8.104 8.104 7.462 0.642 19660 3501 1 13 . 1 1 44 44 GLU N N 44 121.280 121.280 125.290 -4.010 19660 3502 1 13 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.250 -0.023 19660 3503 1 13 . 1 1 44 44 GLU CA C 44 57.213 57.213 56.883 0.330 19660 3504 1 13 . 1 1 44 44 GLU H H 44 8.565 8.565 7.902 0.663 19660 3505 1 13 . 1 1 45 45 GLY N N 45 111.878 111.878 111.905 -0.027 19660 3506 1 13 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.771 1.026 19660 3507 1 13 . 1 1 45 45 GLY H H 45 8.749 8.749 8.981 -0.232 19660 3508 1 13 . 1 1 46 46 ALA N N 46 122.249 122.249 123.461 -1.212 19660 3509 1 13 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.681 -0.125 19660 3510 1 13 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.293 -0.044 19660 3511 1 13 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.748 0.600 19660 3512 1 13 . 1 1 46 46 ALA H H 46 7.818 7.818 7.555 0.263 19660 3513 1 13 . 1 1 47 47 THR N N 47 116.571 116.571 115.231 1.340 19660 3514 1 13 . 1 1 47 47 THR HA H 47 4.305 4.305 4.442 -0.137 19660 3515 1 13 . 1 1 47 47 THR CA C 47 61.924 61.924 61.439 0.485 19660 3516 1 13 . 1 1 47 47 THR H H 47 8.387 8.387 8.245 0.142 19660 3517 1 13 . 1 1 48 48 VAL N N 48 127.683 127.683 126.965 0.718 19660 3518 1 13 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.244 0.389 19660 3519 1 13 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.142 2.193 19660 3520 1 13 . 1 1 48 48 VAL H H 48 8.695 8.695 8.430 0.265 19660 3521 1 13 . 1 1 49 49 LEU N N 49 129.662 129.662 128.079 1.583 19660 3522 1 13 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.637 0.085 19660 3523 1 13 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.336 -0.526 19660 3524 1 13 . 1 1 49 49 LEU CB C 49 44.590 44.590 43.993 0.597 19660 3525 1 13 . 1 1 49 49 LEU H H 49 8.594 8.594 8.328 0.266 19660 3526 1 13 . 1 1 50 50 CYS N N 50 123.551 123.551 124.032 -0.481 19660 3527 1 13 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.760 0.979 19660 3528 1 13 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.543 -3.254 19660 3529 1 13 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.444 17.980 19660 3530 1 13 . 1 1 50 50 CYS H H 50 8.910 8.910 8.288 0.622 19660 3531 1 13 . 1 1 51 51 CYS N N 51 119.604 119.604 125.953 -6.349 19660 3532 1 13 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.854 0.515 19660 3533 1 13 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.754 -4.154 19660 3534 1 13 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.778 17.726 19660 3535 1 13 . 1 1 51 51 CYS H H 51 9.281 9.281 8.974 0.307 19660 3536 1 13 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.309 0.669 19660 3537 1 13 . 1 1 52 52 PRO C C 52 175.082 175.082 176.529 -1.447 19660 3538 1 13 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.676 0.758 19660 3539 1 13 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.201 0.233 19660 3540 1 13 . 1 1 53 53 GLU N N 53 121.348 121.348 118.314 3.034 19660 3541 1 13 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.492 0.059 19660 3542 1 13 . 1 1 53 53 GLU C C 53 174.317 174.317 175.105 -0.788 19660 3543 1 13 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.050 0.655 19660 3544 1 13 . 1 1 53 53 GLU CB C 53 32.075 32.075 31.415 0.660 19660 3545 1 13 . 1 1 53 53 GLU H H 53 7.232 7.232 7.852 -0.620 19660 3546 1 13 . 1 1 54 54 ASP N N 54 118.893 118.893 118.263 0.630 19660 3547 1 13 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.533 0.337 19660 3548 1 13 . 1 1 54 54 ASP C C 54 177.950 177.950 176.179 1.771 19660 3549 1 13 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.397 2.153 19660 3550 1 13 . 1 1 54 54 ASP CB C 54 41.587 41.587 42.072 -0.485 19660 3551 1 13 . 1 1 54 54 ASP H H 54 8.230 8.230 8.372 -0.142 19660 3552 1 13 . 1 1 55 55 LEU N N 55 113.945 113.945 118.029 -4.084 19660 3553 1 13 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.858 -0.168 19660 3554 1 13 . 1 1 55 55 LEU C C 55 176.734 176.734 176.515 0.219 19660 3555 1 13 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.313 0.333 19660 3556 1 13 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.261 -1.567 19660 3557 1 13 . 1 1 55 55 LEU H H 55 9.462 9.462 8.869 0.593 19660 3558 1 13 . 1 1 56 56 CYS N N 56 112.784 112.784 119.145 -6.361 19660 3559 1 13 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.450 0.064 19660 3560 1 13 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.091 -1.170 19660 3561 1 13 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.893 18.835 19660 3562 1 13 . 1 1 56 56 CYS H H 56 7.647 7.647 9.059 -1.412 19660 3563 1 14 . 1 1 2 2 GLN N N 2 125.663 125.663 120.529 5.134 19660 3564 1 14 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.055 0.343 19660 3565 1 14 . 1 1 2 2 GLN C C 2 174.668 174.668 174.788 -0.120 19660 3566 1 14 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.919 -1.147 19660 3567 1 14 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.181 -1.158 19660 3568 1 14 . 1 1 2 2 GLN H H 2 8.383 8.383 8.459 -0.076 19660 3569 1 14 . 1 1 3 3 CYS N N 3 118.829 118.829 119.975 -1.146 19660 3570 1 14 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.147 -0.001 19660 3571 1 14 . 1 1 3 3 CYS C C 3 174.118 174.118 174.216 -0.098 19660 3572 1 14 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.796 -5.829 19660 3573 1 14 . 1 1 3 3 CYS H H 3 9.023 9.023 9.259 -0.236 19660 3574 1 14 . 1 1 4 4 ASN N N 4 119.446 119.446 120.959 -1.513 19660 3575 1 14 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.833 0.199 19660 3576 1 14 . 1 1 4 4 ASN CA C 4 54.360 54.360 54.158 0.202 19660 3577 1 14 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.027 -0.400 19660 3578 1 14 . 1 1 4 4 ASN H H 4 9.225 9.225 8.601 0.624 19660 3579 1 14 . 1 1 5 5 THR N N 5 109.185 109.185 108.925 0.260 19660 3580 1 14 . 1 1 5 5 THR HA H 5 4.934 4.934 4.863 0.071 19660 3581 1 14 . 1 1 5 5 THR C C 5 176.984 176.984 176.302 0.682 19660 3582 1 14 . 1 1 5 5 THR CA C 5 60.188 60.188 59.541 0.646 19660 3583 1 14 . 1 1 5 5 THR CB C 5 70.286 70.286 72.372 -2.086 19660 3584 1 14 . 1 1 5 5 THR H H 5 7.823 7.823 8.213 -0.390 19660 3585 1 14 . 1 1 6 6 LEU N N 6 123.023 123.023 120.242 2.781 19660 3586 1 14 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.303 -0.330 19660 3587 1 14 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.153 0.471 19660 3588 1 14 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.887 1.005 19660 3589 1 14 . 1 1 6 6 LEU H H 6 8.958 8.958 8.754 0.204 19660 3590 1 14 . 1 1 7 7 ASP N N 7 115.117 115.117 118.490 -3.373 19660 3591 1 14 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.518 0.016 19660 3592 1 14 . 1 1 7 7 ASP C C 7 176.415 176.415 176.949 -0.534 19660 3593 1 14 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.653 -0.912 19660 3594 1 14 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.917 -0.762 19660 3595 1 14 . 1 1 7 7 ASP H H 7 8.258 8.258 7.978 0.280 19660 3596 1 14 . 1 1 8 8 GLY N N 8 106.811 106.811 107.431 -0.620 19660 3597 1 14 . 1 1 8 8 GLY C C 8 174.831 174.831 174.710 0.121 19660 3598 1 14 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.995 0.415 19660 3599 1 14 . 1 1 8 8 GLY H H 8 7.669 7.669 7.805 -0.136 19660 3600 1 14 . 1 1 9 9 GLY N N 9 109.185 109.185 108.918 0.267 19660 3601 1 14 . 1 1 9 9 GLY C C 9 173.522 173.522 172.757 0.765 19660 3602 1 14 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.063 0.014 19660 3603 1 14 . 1 1 9 9 GLY H H 9 7.501 7.501 7.758 -0.257 19660 3604 1 14 . 1 1 10 10 THR N N 10 109.837 109.837 111.491 -1.654 19660 3605 1 14 . 1 1 10 10 THR HA H 10 5.220 5.220 4.726 0.494 19660 3606 1 14 . 1 1 10 10 THR CA C 10 60.357 60.357 60.666 -0.309 19660 3607 1 14 . 1 1 10 10 THR CB C 10 72.680 72.680 71.021 1.659 19660 3608 1 14 . 1 1 10 10 THR H H 10 8.115 8.115 8.002 0.113 19660 3609 1 14 . 1 1 11 11 GLU N N 11 121.356 121.356 123.011 -1.655 19660 3610 1 14 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.758 -0.132 19660 3611 1 14 . 1 1 11 11 GLU C C 11 174.150 174.150 175.325 -1.175 19660 3612 1 14 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.381 0.288 19660 3613 1 14 . 1 1 11 11 GLU CB C 11 33.344 33.344 32.990 0.354 19660 3614 1 14 . 1 1 11 11 GLU H H 11 9.133 9.133 9.242 -0.109 19660 3615 1 14 . 1 1 12 12 GLU N N 12 125.546 125.546 122.227 3.319 19660 3616 1 14 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.526 -0.060 19660 3617 1 14 . 1 1 12 12 GLU C C 12 176.388 176.388 176.103 0.285 19660 3618 1 14 . 1 1 12 12 GLU CA C 12 55.607 55.607 56.324 -0.717 19660 3619 1 14 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.912 -0.072 19660 3620 1 14 . 1 1 12 12 GLU H H 12 8.710 8.710 8.608 0.102 19660 3621 1 14 . 1 1 13 13 CYS N N 13 125.853 125.853 125.047 0.806 19660 3622 1 14 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.799 0.118 19660 3623 1 14 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.928 -6.302 19660 3624 1 14 . 1 1 13 13 CYS CB C 13 37.284 37.284 27.244 10.040 19660 3625 1 14 . 1 1 13 13 CYS H H 13 8.840 8.840 8.610 0.230 19660 3626 1 14 . 1 1 14 14 ILE N N 14 127.700 127.700 127.354 0.346 19660 3627 1 14 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.293 -0.001 19660 3628 1 14 . 1 1 14 14 ILE CA C 14 60.386 60.386 59.627 0.759 19660 3629 1 14 . 1 1 14 14 ILE H H 14 8.387 8.387 8.756 -0.369 19660 3630 1 14 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.343 0.086 19660 3631 1 14 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.421 0.366 19660 3632 1 14 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.239 2.167 19660 3633 1 14 . 1 1 16 16 GLY N N 16 111.774 111.774 110.508 1.266 19660 3634 1 14 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.340 0.694 19660 3635 1 14 . 1 1 16 16 GLY H H 16 8.752 8.752 8.534 0.218 19660 3636 1 14 . 1 1 17 17 ILE N N 17 118.758 118.758 120.839 -2.081 19660 3637 1 14 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.090 -0.120 19660 3638 1 14 . 1 1 17 17 ILE CA C 17 62.088 62.088 62.212 -0.124 19660 3639 1 14 . 1 1 17 17 ILE CB C 17 39.291 39.291 39.244 0.047 19660 3640 1 14 . 1 1 17 17 ILE H H 17 7.527 7.527 7.198 0.329 19660 3641 1 14 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.838 -0.138 19660 3642 1 14 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.287 1.086 19660 3643 1 14 . 1 1 18 18 TYR CB C 18 39.765 39.765 38.952 0.813 19660 3644 1 14 . 1 1 19 19 ASN N N 19 118.488 118.488 121.111 -2.623 19660 3645 1 14 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.908 -0.160 19660 3646 1 14 . 1 1 19 19 ASN C C 19 174.728 174.728 174.831 -0.103 19660 3647 1 14 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.354 -0.558 19660 3648 1 14 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.266 -1.877 19660 3649 1 14 . 1 1 19 19 ASN H H 19 8.512 8.512 9.125 -0.613 19660 3650 1 14 . 1 1 20 20 VAL N N 20 114.324 114.324 115.911 -1.587 19660 3651 1 14 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.760 -0.073 19660 3652 1 14 . 1 1 20 20 VAL C C 20 173.641 173.641 174.227 -0.586 19660 3653 1 14 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.224 -0.102 19660 3654 1 14 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.338 1.603 19660 3655 1 14 . 1 1 20 20 VAL H H 20 8.064 8.064 7.922 0.142 19660 3656 1 14 . 1 1 21 21 CYS N N 21 117.375 117.375 116.012 1.363 19660 3657 1 14 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.831 0.700 19660 3658 1 14 . 1 1 21 21 CYS C C 21 169.343 169.343 172.543 -3.200 19660 3659 1 14 . 1 1 21 21 CYS CA C 21 52.500 52.500 58.244 -5.744 19660 3660 1 14 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.774 8.646 19660 3661 1 14 . 1 1 21 21 CYS H H 21 9.308 9.308 8.414 0.894 19660 3662 1 14 . 1 1 22 22 VAL N N 22 118.966 118.966 120.993 -2.027 19660 3663 1 14 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.439 1.040 19660 3664 1 14 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.001 -0.397 19660 3665 1 14 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.261 0.976 19660 3666 1 14 . 1 1 22 22 VAL H H 22 9.168 9.168 8.071 1.097 19660 3667 1 14 . 1 1 23 23 HIS N N 23 127.041 127.041 126.161 0.880 19660 3668 1 14 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.764 0.751 19660 3669 1 14 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.361 -0.124 19660 3670 1 14 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.774 2.628 19660 3671 1 14 . 1 1 23 23 HIS H H 23 9.214 9.214 8.491 0.723 19660 3672 1 14 . 1 1 24 24 TYR N N 24 132.376 132.376 129.744 2.632 19660 3673 1 14 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.455 0.168 19660 3674 1 14 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.066 -0.416 19660 3675 1 14 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.347 1.701 19660 3676 1 14 . 1 1 24 24 TYR H H 24 8.967 8.967 8.816 0.151 19660 3677 1 14 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.428 0.401 19660 3678 1 14 . 1 1 25 25 LYS C C 25 173.479 173.479 174.636 -1.157 19660 3679 1 14 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.035 1.212 19660 3680 1 14 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.364 1.905 19660 3681 1 14 . 1 1 25 25 LYS H H 25 8.028 8.028 8.112 -0.084 19660 3682 1 14 . 1 1 26 26 SER N N 26 125.633 125.633 121.246 4.387 19660 3683 1 14 . 1 1 26 26 SER HA H 26 4.959 4.959 4.708 0.251 19660 3684 1 14 . 1 1 26 26 SER C C 26 174.081 174.081 173.878 0.203 19660 3685 1 14 . 1 1 26 26 SER CA C 26 56.012 56.012 57.200 -1.188 19660 3686 1 14 . 1 1 26 26 SER CB C 26 66.581 66.581 65.926 0.655 19660 3687 1 14 . 1 1 26 26 SER H H 26 9.314 9.314 8.436 0.878 19660 3688 1 14 . 1 1 27 27 GLU N N 27 118.790 118.790 120.529 -1.739 19660 3689 1 14 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.218 -0.142 19660 3690 1 14 . 1 1 27 27 GLU CA C 27 59.149 59.149 58.198 0.951 19660 3691 1 14 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.941 -0.429 19660 3692 1 14 . 1 1 27 27 GLU H H 27 8.848 8.848 8.583 0.265 19660 3693 1 14 . 1 1 28 28 ASP N N 28 114.555 114.555 119.498 -4.943 19660 3694 1 14 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.689 0.129 19660 3695 1 14 . 1 1 28 28 ASP C C 28 175.500 175.500 175.321 0.179 19660 3696 1 14 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.852 -0.287 19660 3697 1 14 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.457 1.825 19660 3698 1 14 . 1 1 28 28 ASP H H 28 8.145 8.145 8.270 -0.125 19660 3699 1 14 . 1 1 29 29 GLU N N 29 119.483 119.483 116.894 2.589 19660 3700 1 14 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.602 0.183 19660 3701 1 14 . 1 1 29 29 GLU C C 29 173.282 173.282 174.162 -0.880 19660 3702 1 14 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.428 0.243 19660 3703 1 14 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.928 0.942 19660 3704 1 14 . 1 1 29 29 GLU H H 29 7.774 7.774 7.900 -0.126 19660 3705 1 14 . 1 1 30 30 GLU N N 30 122.376 122.376 120.638 1.738 19660 3706 1 14 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.921 0.562 19660 3707 1 14 . 1 1 30 30 GLU C C 30 174.486 174.486 174.300 0.186 19660 3708 1 14 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.212 -1.160 19660 3709 1 14 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.464 0.389 19660 3710 1 14 . 1 1 30 30 GLU H H 30 8.419 8.419 8.619 -0.200 19660 3711 1 14 . 1 1 31 31 TYR N N 31 119.914 119.914 121.411 -1.497 19660 3712 1 14 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.989 0.001 19660 3713 1 14 . 1 1 31 31 TYR C C 31 173.240 173.240 172.824 0.416 19660 3714 1 14 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.574 0.784 19660 3715 1 14 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.509 0.250 19660 3716 1 14 . 1 1 31 31 TYR H H 31 9.089 9.089 8.668 0.421 19660 3717 1 14 . 1 1 32 32 LYS N N 32 121.363 121.363 120.460 0.903 19660 3718 1 14 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.797 0.659 19660 3719 1 14 . 1 1 32 32 LYS CA C 32 55.934 55.934 55.969 -0.035 19660 3720 1 14 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.891 1.451 19660 3721 1 14 . 1 1 32 32 LYS H H 32 8.643 8.643 8.504 0.139 19660 3722 1 14 . 1 1 33 33 SER N N 33 113.477 113.477 117.132 -3.655 19660 3723 1 14 . 1 1 33 33 SER HA H 33 4.599 4.599 4.774 -0.175 19660 3724 1 14 . 1 1 33 33 SER C C 33 174.210 174.210 172.502 1.708 19660 3725 1 14 . 1 1 33 33 SER CA C 33 58.123 58.123 58.203 -0.080 19660 3726 1 14 . 1 1 33 33 SER CB C 33 66.263 66.263 65.427 0.836 19660 3727 1 14 . 1 1 33 33 SER H H 33 8.151 8.151 8.173 -0.022 19660 3728 1 14 . 1 1 34 34 CYS N N 34 118.998 118.998 122.309 -3.311 19660 3729 1 14 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.570 0.724 19660 3730 1 14 . 1 1 34 34 CYS C C 34 175.636 175.636 173.331 2.305 19660 3731 1 14 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.367 -0.639 19660 3732 1 14 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.980 15.534 19660 3733 1 14 . 1 1 34 34 CYS H H 34 8.652 8.652 8.705 -0.053 19660 3734 1 14 . 1 1 35 35 GLY N N 35 112.013 112.013 108.421 3.592 19660 3735 1 14 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.947 -0.025 19660 3736 1 14 . 1 1 35 35 GLY H H 35 9.451 9.451 8.466 0.985 19660 3737 1 14 . 1 1 36 36 ILE N N 36 118.738 118.738 119.357 -0.619 19660 3738 1 14 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.734 0.117 19660 3739 1 14 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.843 1.034 19660 3740 1 14 . 1 1 36 36 ILE H H 36 8.576 8.576 7.962 0.614 19660 3741 1 14 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.839 0.108 19660 3742 1 14 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.162 0.103 19660 3743 1 14 . 1 1 38 38 GLU N N 38 117.838 117.838 117.107 0.731 19660 3744 1 14 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.089 -0.035 19660 3745 1 14 . 1 1 38 38 GLU C C 38 177.610 177.610 177.255 0.355 19660 3746 1 14 . 1 1 38 38 GLU CA C 38 59.831 59.831 58.626 1.205 19660 3747 1 14 . 1 1 38 38 GLU H H 38 9.140 9.140 8.584 0.556 19660 3748 1 14 . 1 1 39 39 GLU N N 39 117.727 117.727 117.047 0.680 19660 3749 1 14 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.280 0.082 19660 3750 1 14 . 1 1 39 39 GLU C C 39 177.387 177.387 178.835 -1.448 19660 3751 1 14 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.591 -1.434 19660 3752 1 14 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.198 -0.390 19660 3753 1 14 . 1 1 39 39 GLU H H 39 7.933 7.933 7.891 0.042 19660 3754 1 14 . 1 1 40 40 CYS N N 40 117.847 117.847 119.828 -1.981 19660 3755 1 14 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.230 0.142 19660 3756 1 14 . 1 1 40 40 CYS C C 40 174.430 174.430 176.919 -2.489 19660 3757 1 14 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.879 -4.092 19660 3758 1 14 . 1 1 40 40 CYS CB C 40 44.304 44.304 25.953 18.351 19660 3759 1 14 . 1 1 40 40 CYS H H 40 7.745 7.745 8.736 -0.991 19660 3760 1 14 . 1 1 41 41 GLU N N 41 120.521 120.521 119.478 1.043 19660 3761 1 14 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.079 0.259 19660 3762 1 14 . 1 1 41 41 GLU CA C 41 56.224 56.224 57.936 -1.712 19660 3763 1 14 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.193 1.907 19660 3764 1 14 . 1 1 41 41 GLU H H 41 7.680 7.680 7.814 -0.134 19660 3765 1 14 . 1 1 42 42 ASP N N 42 121.236 121.236 119.882 1.354 19660 3766 1 14 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.366 0.226 19660 3767 1 14 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.464 -1.890 19660 3768 1 14 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.800 0.394 19660 3769 1 14 . 1 1 42 42 ASP H H 42 8.254 8.254 7.991 0.263 19660 3770 1 14 . 1 1 43 43 ALA N N 43 124.610 124.610 122.592 2.018 19660 3771 1 14 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.362 0.118 19660 3772 1 14 . 1 1 43 43 ALA CA C 43 51.986 51.986 51.688 0.298 19660 3773 1 14 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.011 2.640 19660 3774 1 14 . 1 1 43 43 ALA H H 43 8.104 8.104 7.361 0.743 19660 3775 1 14 . 1 1 44 44 GLU N N 44 121.280 121.280 124.343 -3.063 19660 3776 1 14 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.147 0.080 19660 3777 1 14 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.321 -0.108 19660 3778 1 14 . 1 1 44 44 GLU H H 44 8.565 8.565 7.974 0.591 19660 3779 1 14 . 1 1 45 45 GLY N N 45 111.878 111.878 110.896 0.982 19660 3780 1 14 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.538 1.259 19660 3781 1 14 . 1 1 45 45 GLY H H 45 8.749 8.749 8.825 -0.076 19660 3782 1 14 . 1 1 46 46 ALA N N 46 122.249 122.249 123.146 -0.897 19660 3783 1 14 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.722 -0.166 19660 3784 1 14 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.696 -0.447 19660 3785 1 14 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.435 0.913 19660 3786 1 14 . 1 1 46 46 ALA H H 46 7.818 7.818 7.566 0.252 19660 3787 1 14 . 1 1 47 47 THR N N 47 116.571 116.571 115.596 0.975 19660 3788 1 14 . 1 1 47 47 THR HA H 47 4.305 4.305 4.539 -0.234 19660 3789 1 14 . 1 1 47 47 THR CA C 47 61.924 61.924 61.883 0.041 19660 3790 1 14 . 1 1 47 47 THR H H 47 8.387 8.387 8.257 0.130 19660 3791 1 14 . 1 1 48 48 VAL N N 48 127.683 127.683 125.565 2.118 19660 3792 1 14 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.242 0.391 19660 3793 1 14 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.326 2.009 19660 3794 1 14 . 1 1 48 48 VAL H H 48 8.695 8.695 8.399 0.296 19660 3795 1 14 . 1 1 49 49 LEU N N 49 129.662 129.662 128.356 1.306 19660 3796 1 14 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.691 0.031 19660 3797 1 14 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.428 -0.618 19660 3798 1 14 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.751 -0.161 19660 3799 1 14 . 1 1 49 49 LEU H H 49 8.594 8.594 8.306 0.288 19660 3800 1 14 . 1 1 50 50 CYS N N 50 123.551 123.551 123.877 -0.326 19660 3801 1 14 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.775 0.964 19660 3802 1 14 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.535 -3.245 19660 3803 1 14 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.466 17.958 19660 3804 1 14 . 1 1 50 50 CYS H H 50 8.910 8.910 8.281 0.629 19660 3805 1 14 . 1 1 51 51 CYS N N 51 119.604 119.604 126.039 -6.435 19660 3806 1 14 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.859 0.510 19660 3807 1 14 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.755 -4.156 19660 3808 1 14 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.618 17.886 19660 3809 1 14 . 1 1 51 51 CYS H H 51 9.281 9.281 8.956 0.325 19660 3810 1 14 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.313 0.665 19660 3811 1 14 . 1 1 52 52 PRO C C 52 175.082 175.082 176.665 -1.583 19660 3812 1 14 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.719 0.715 19660 3813 1 14 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.031 0.403 19660 3814 1 14 . 1 1 53 53 GLU N N 53 121.348 121.348 119.916 1.432 19660 3815 1 14 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.367 0.184 19660 3816 1 14 . 1 1 53 53 GLU C C 53 174.317 174.317 174.706 -0.389 19660 3817 1 14 . 1 1 53 53 GLU CA C 53 55.705 55.705 54.882 0.823 19660 3818 1 14 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.621 1.454 19660 3819 1 14 . 1 1 53 53 GLU H H 53 7.232 7.232 7.888 -0.656 19660 3820 1 14 . 1 1 54 54 ASP N N 54 118.893 118.893 119.047 -0.154 19660 3821 1 14 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.697 0.173 19660 3822 1 14 . 1 1 54 54 ASP C C 54 177.950 177.950 175.994 1.956 19660 3823 1 14 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.802 1.748 19660 3824 1 14 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.795 -0.208 19660 3825 1 14 . 1 1 54 54 ASP H H 54 8.230 8.230 8.384 -0.154 19660 3826 1 14 . 1 1 55 55 LEU N N 55 113.945 113.945 119.919 -5.974 19660 3827 1 14 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.833 -0.143 19660 3828 1 14 . 1 1 55 55 LEU C C 55 176.734 176.734 176.562 0.172 19660 3829 1 14 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.395 0.251 19660 3830 1 14 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.424 -1.730 19660 3831 1 14 . 1 1 55 55 LEU H H 55 9.462 9.462 8.899 0.563 19660 3832 1 14 . 1 1 56 56 CYS N N 56 112.784 112.784 118.508 -5.724 19660 3833 1 14 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.499 0.015 19660 3834 1 14 . 1 1 56 56 CYS CA C 56 56.921 56.921 57.957 -1.036 19660 3835 1 14 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.975 18.753 19660 3836 1 14 . 1 1 56 56 CYS H H 56 7.647 7.647 9.002 -1.355 19660 3837 1 15 . 1 1 2 2 GLN N N 2 125.663 125.663 120.317 5.346 19660 3838 1 15 . 1 1 2 2 GLN HA H 2 5.398 5.398 4.962 0.436 19660 3839 1 15 . 1 1 2 2 GLN C C 2 174.668 174.668 174.824 -0.156 19660 3840 1 15 . 1 1 2 2 GLN CA C 2 53.772 53.772 55.017 -1.244 19660 3841 1 15 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.099 -1.076 19660 3842 1 15 . 1 1 2 2 GLN H H 2 8.383 8.383 8.504 -0.121 19660 3843 1 15 . 1 1 3 3 CYS N N 3 118.829 118.829 120.307 -1.478 19660 3844 1 15 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.129 0.017 19660 3845 1 15 . 1 1 3 3 CYS C C 3 174.118 174.118 174.008 0.110 19660 3846 1 15 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.891 -5.924 19660 3847 1 15 . 1 1 3 3 CYS H H 3 9.023 9.023 9.301 -0.278 19660 3848 1 15 . 1 1 4 4 ASN N N 4 119.446 119.446 120.543 -1.097 19660 3849 1 15 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.873 0.159 19660 3850 1 15 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.953 0.407 19660 3851 1 15 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.137 -0.510 19660 3852 1 15 . 1 1 4 4 ASN H H 4 9.225 9.225 8.795 0.430 19660 3853 1 15 . 1 1 5 5 THR N N 5 109.185 109.185 109.133 0.052 19660 3854 1 15 . 1 1 5 5 THR HA H 5 4.934 4.934 4.859 0.075 19660 3855 1 15 . 1 1 5 5 THR C C 5 176.984 176.984 176.316 0.668 19660 3856 1 15 . 1 1 5 5 THR CA C 5 60.188 60.188 59.576 0.612 19660 3857 1 15 . 1 1 5 5 THR CB C 5 70.286 70.286 72.348 -2.062 19660 3858 1 15 . 1 1 5 5 THR H H 5 7.823 7.823 8.161 -0.338 19660 3859 1 15 . 1 1 6 6 LEU N N 6 123.023 123.023 121.697 1.326 19660 3860 1 15 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.352 -0.379 19660 3861 1 15 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.654 -0.030 19660 3862 1 15 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.743 1.149 19660 3863 1 15 . 1 1 6 6 LEU H H 6 8.958 8.958 8.835 0.123 19660 3864 1 15 . 1 1 7 7 ASP N N 7 115.117 115.117 118.792 -3.675 19660 3865 1 15 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.582 -0.048 19660 3866 1 15 . 1 1 7 7 ASP C C 7 176.415 176.415 177.191 -0.776 19660 3867 1 15 . 1 1 7 7 ASP CA C 7 53.740 53.740 53.939 -0.199 19660 3868 1 15 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.614 -0.459 19660 3869 1 15 . 1 1 7 7 ASP H H 7 8.258 8.258 7.812 0.446 19660 3870 1 15 . 1 1 8 8 GLY N N 8 106.811 106.811 106.023 0.788 19660 3871 1 15 . 1 1 8 8 GLY C C 8 174.831 174.831 174.791 0.040 19660 3872 1 15 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.991 0.418 19660 3873 1 15 . 1 1 8 8 GLY H H 8 7.669 7.669 7.777 -0.108 19660 3874 1 15 . 1 1 9 9 GLY N N 9 109.185 109.185 108.792 0.393 19660 3875 1 15 . 1 1 9 9 GLY C C 9 173.522 173.522 172.520 1.002 19660 3876 1 15 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.218 -0.140 19660 3877 1 15 . 1 1 9 9 GLY H H 9 7.501 7.501 7.758 -0.257 19660 3878 1 15 . 1 1 10 10 THR N N 10 109.837 109.837 111.177 -1.340 19660 3879 1 15 . 1 1 10 10 THR HA H 10 5.220 5.220 4.726 0.494 19660 3880 1 15 . 1 1 10 10 THR CA C 10 60.357 60.357 60.666 -0.309 19660 3881 1 15 . 1 1 10 10 THR CB C 10 72.680 72.680 71.193 1.487 19660 3882 1 15 . 1 1 10 10 THR H H 10 8.115 8.115 8.025 0.090 19660 3883 1 15 . 1 1 11 11 GLU N N 11 121.356 121.356 122.814 -1.458 19660 3884 1 15 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.797 -0.171 19660 3885 1 15 . 1 1 11 11 GLU C C 11 174.150 174.150 175.296 -1.146 19660 3886 1 15 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.178 0.491 19660 3887 1 15 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.444 -0.100 19660 3888 1 15 . 1 1 11 11 GLU H H 11 9.133 9.133 9.257 -0.124 19660 3889 1 15 . 1 1 12 12 GLU N N 12 125.546 125.546 120.713 4.833 19660 3890 1 15 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.517 -0.051 19660 3891 1 15 . 1 1 12 12 GLU C C 12 176.388 176.388 176.005 0.383 19660 3892 1 15 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.249 0.358 19660 3893 1 15 . 1 1 12 12 GLU CB C 12 29.840 29.840 30.105 -0.265 19660 3894 1 15 . 1 1 12 12 GLU H H 12 8.710 8.710 8.591 0.119 19660 3895 1 15 . 1 1 13 13 CYS N N 13 125.853 125.853 124.619 1.234 19660 3896 1 15 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.868 0.049 19660 3897 1 15 . 1 1 13 13 CYS CA C 13 52.626 52.626 59.033 -6.407 19660 3898 1 15 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.727 10.557 19660 3899 1 15 . 1 1 13 13 CYS H H 13 8.840 8.840 8.318 0.522 19660 3900 1 15 . 1 1 14 14 ILE N N 14 127.700 127.700 123.645 4.055 19660 3901 1 15 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.512 -0.220 19660 3902 1 15 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.618 1.768 19660 3903 1 15 . 1 1 14 14 ILE H H 14 8.387 8.387 8.451 -0.064 19660 3904 1 15 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.369 0.060 19660 3905 1 15 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.347 0.440 19660 3906 1 15 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.018 2.388 19660 3907 1 15 . 1 1 16 16 GLY N N 16 111.774 111.774 111.105 0.669 19660 3908 1 15 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.861 0.173 19660 3909 1 15 . 1 1 16 16 GLY H H 16 8.752 8.752 8.302 0.450 19660 3910 1 15 . 1 1 17 17 ILE N N 17 118.758 118.758 121.166 -2.408 19660 3911 1 15 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.175 -0.205 19660 3912 1 15 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.493 0.595 19660 3913 1 15 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.382 0.909 19660 3914 1 15 . 1 1 17 17 ILE H H 17 7.527 7.527 7.736 -0.209 19660 3915 1 15 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.800 -0.100 19660 3916 1 15 . 1 1 18 18 TYR CA C 18 57.373 57.373 55.365 2.008 19660 3917 1 15 . 1 1 18 18 TYR CB C 18 39.765 39.765 37.032 2.732 19660 3918 1 15 . 1 1 19 19 ASN N N 19 118.488 118.488 120.215 -1.727 19660 3919 1 15 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.869 -0.121 19660 3920 1 15 . 1 1 19 19 ASN C C 19 174.728 174.728 175.161 -0.433 19660 3921 1 15 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.536 -0.740 19660 3922 1 15 . 1 1 19 19 ASN CB C 19 39.389 39.389 40.903 -1.514 19660 3923 1 15 . 1 1 19 19 ASN H H 19 8.512 8.512 8.865 -0.353 19660 3924 1 15 . 1 1 20 20 VAL N N 20 114.324 114.324 115.485 -1.161 19660 3925 1 15 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.563 0.124 19660 3926 1 15 . 1 1 20 20 VAL C C 20 173.641 173.641 174.031 -0.390 19660 3927 1 15 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.230 -0.108 19660 3928 1 15 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.251 1.690 19660 3929 1 15 . 1 1 20 20 VAL H H 20 8.064 8.064 7.966 0.098 19660 3930 1 15 . 1 1 21 21 CYS N N 21 117.375 117.375 116.689 0.686 19660 3931 1 15 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.828 0.703 19660 3932 1 15 . 1 1 21 21 CYS C C 21 169.343 169.343 172.702 -3.359 19660 3933 1 15 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.885 -5.385 19660 3934 1 15 . 1 1 21 21 CYS CB C 21 38.420 38.420 30.212 8.208 19660 3935 1 15 . 1 1 21 21 CYS H H 21 9.308 9.308 8.226 1.082 19660 3936 1 15 . 1 1 22 22 VAL N N 22 118.966 118.966 120.999 -2.033 19660 3937 1 15 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.455 1.024 19660 3938 1 15 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.383 -0.779 19660 3939 1 15 . 1 1 22 22 VAL CB C 22 36.237 36.237 34.747 1.490 19660 3940 1 15 . 1 1 22 22 VAL H H 22 9.168 9.168 8.013 1.155 19660 3941 1 15 . 1 1 23 23 HIS N N 23 127.041 127.041 126.613 0.428 19660 3942 1 15 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.761 0.754 19660 3943 1 15 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.369 -0.131 19660 3944 1 15 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.532 2.870 19660 3945 1 15 . 1 1 23 23 HIS H H 23 9.214 9.214 8.537 0.677 19660 3946 1 15 . 1 1 24 24 TYR N N 24 132.376 132.376 129.565 2.811 19660 3947 1 15 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.471 0.152 19660 3948 1 15 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.109 -0.459 19660 3949 1 15 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.590 1.458 19660 3950 1 15 . 1 1 24 24 TYR H H 24 8.967 8.967 8.734 0.233 19660 3951 1 15 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.431 0.398 19660 3952 1 15 . 1 1 25 25 LYS C C 25 173.479 173.479 174.933 -1.454 19660 3953 1 15 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.389 0.859 19660 3954 1 15 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.327 1.942 19660 3955 1 15 . 1 1 25 25 LYS H H 25 8.028 8.028 8.199 -0.171 19660 3956 1 15 . 1 1 26 26 SER N N 26 125.633 125.633 120.884 4.749 19660 3957 1 15 . 1 1 26 26 SER HA H 26 4.959 4.959 4.656 0.303 19660 3958 1 15 . 1 1 26 26 SER C C 26 174.081 174.081 173.489 0.592 19660 3959 1 15 . 1 1 26 26 SER CA C 26 56.012 56.012 57.258 -1.246 19660 3960 1 15 . 1 1 26 26 SER CB C 26 66.581 66.581 65.578 1.003 19660 3961 1 15 . 1 1 26 26 SER H H 26 9.314 9.314 8.474 0.840 19660 3962 1 15 . 1 1 27 27 GLU N N 27 118.790 118.790 121.304 -2.514 19660 3963 1 15 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.219 -0.143 19660 3964 1 15 . 1 1 27 27 GLU CA C 27 59.149 59.149 58.116 1.033 19660 3965 1 15 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.790 -0.278 19660 3966 1 15 . 1 1 27 27 GLU H H 27 8.848 8.848 8.620 0.228 19660 3967 1 15 . 1 1 28 28 ASP N N 28 114.555 114.555 119.275 -4.720 19660 3968 1 15 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.693 0.125 19660 3969 1 15 . 1 1 28 28 ASP C C 28 175.500 175.500 175.722 -0.222 19660 3970 1 15 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.844 -0.279 19660 3971 1 15 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.486 1.796 19660 3972 1 15 . 1 1 28 28 ASP H H 28 8.145 8.145 8.364 -0.219 19660 3973 1 15 . 1 1 29 29 GLU N N 29 119.483 119.483 117.918 1.565 19660 3974 1 15 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.594 0.191 19660 3975 1 15 . 1 1 29 29 GLU C C 29 173.282 173.282 173.952 -0.670 19660 3976 1 15 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.504 0.167 19660 3977 1 15 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.550 1.320 19660 3978 1 15 . 1 1 29 29 GLU H H 29 7.774 7.774 7.949 -0.175 19660 3979 1 15 . 1 1 30 30 GLU N N 30 122.376 122.376 121.391 0.985 19660 3980 1 15 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.870 0.613 19660 3981 1 15 . 1 1 30 30 GLU C C 30 174.486 174.486 174.717 -0.231 19660 3982 1 15 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.008 -0.956 19660 3983 1 15 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.127 0.727 19660 3984 1 15 . 1 1 30 30 GLU H H 30 8.419 8.419 8.621 -0.202 19660 3985 1 15 . 1 1 31 31 TYR N N 31 119.914 119.914 121.938 -2.024 19660 3986 1 15 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.976 0.014 19660 3987 1 15 . 1 1 31 31 TYR C C 31 173.240 173.240 173.022 0.218 19660 3988 1 15 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.272 1.086 19660 3989 1 15 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.211 -0.452 19660 3990 1 15 . 1 1 31 31 TYR H H 31 9.089 9.089 8.636 0.453 19660 3991 1 15 . 1 1 32 32 LYS N N 32 121.363 121.363 120.362 1.001 19660 3992 1 15 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.876 0.580 19660 3993 1 15 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.084 -0.150 19660 3994 1 15 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.863 1.479 19660 3995 1 15 . 1 1 32 32 LYS H H 32 8.643 8.643 8.539 0.104 19660 3996 1 15 . 1 1 33 33 SER N N 33 113.477 113.477 117.332 -3.855 19660 3997 1 15 . 1 1 33 33 SER HA H 33 4.599 4.599 4.745 -0.146 19660 3998 1 15 . 1 1 33 33 SER C C 33 174.210 174.210 172.332 1.878 19660 3999 1 15 . 1 1 33 33 SER CA C 33 58.123 58.123 58.084 0.039 19660 4000 1 15 . 1 1 33 33 SER CB C 33 66.263 66.263 65.305 0.958 19660 4001 1 15 . 1 1 33 33 SER H H 33 8.151 8.151 8.171 -0.020 19660 4002 1 15 . 1 1 34 34 CYS N N 34 118.998 118.998 121.723 -2.725 19660 4003 1 15 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.590 0.704 19660 4004 1 15 . 1 1 34 34 CYS C C 34 175.636 175.636 173.388 2.248 19660 4005 1 15 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.212 -0.484 19660 4006 1 15 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.964 15.550 19660 4007 1 15 . 1 1 34 34 CYS H H 34 8.652 8.652 8.503 0.149 19660 4008 1 15 . 1 1 35 35 GLY N N 35 112.013 112.013 108.318 3.695 19660 4009 1 15 . 1 1 35 35 GLY CA C 35 45.922 45.922 46.242 -0.320 19660 4010 1 15 . 1 1 35 35 GLY H H 35 9.451 9.451 8.565 0.886 19660 4011 1 15 . 1 1 36 36 ILE N N 36 118.738 118.738 120.070 -1.332 19660 4012 1 15 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.616 0.235 19660 4013 1 15 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.528 0.349 19660 4014 1 15 . 1 1 36 36 ILE H H 36 8.576 8.576 7.939 0.637 19660 4015 1 15 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.839 0.108 19660 4016 1 15 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.018 0.247 19660 4017 1 15 . 1 1 38 38 GLU N N 38 117.838 117.838 117.723 0.115 19660 4018 1 15 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.056 -0.002 19660 4019 1 15 . 1 1 38 38 GLU C C 38 177.610 177.610 177.815 -0.205 19660 4020 1 15 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.200 0.631 19660 4021 1 15 . 1 1 38 38 GLU H H 38 9.140 9.140 8.806 0.334 19660 4022 1 15 . 1 1 39 39 GLU N N 39 117.727 117.727 117.733 -0.006 19660 4023 1 15 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.224 0.138 19660 4024 1 15 . 1 1 39 39 GLU C C 39 177.387 177.387 179.245 -1.858 19660 4025 1 15 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.417 -1.260 19660 4026 1 15 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.175 -0.367 19660 4027 1 15 . 1 1 39 39 GLU H H 39 7.933 7.933 7.805 0.128 19660 4028 1 15 . 1 1 40 40 CYS N N 40 117.847 117.847 119.887 -2.040 19660 4029 1 15 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.239 0.133 19660 4030 1 15 . 1 1 40 40 CYS C C 40 174.430 174.430 176.952 -2.522 19660 4031 1 15 . 1 1 40 40 CYS CA C 40 58.787 58.787 63.236 -4.449 19660 4032 1 15 . 1 1 40 40 CYS CB C 40 44.304 44.304 26.135 18.169 19660 4033 1 15 . 1 1 40 40 CYS H H 40 7.745 7.745 8.659 -0.914 19660 4034 1 15 . 1 1 41 41 GLU N N 41 120.521 120.521 119.228 1.293 19660 4035 1 15 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.109 0.229 19660 4036 1 15 . 1 1 41 41 GLU CA C 41 56.224 56.224 58.018 -1.794 19660 4037 1 15 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.425 1.675 19660 4038 1 15 . 1 1 41 41 GLU H H 41 7.680 7.680 8.207 -0.527 19660 4039 1 15 . 1 1 42 42 ASP N N 42 121.236 121.236 119.245 1.991 19660 4040 1 15 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.419 0.173 19660 4041 1 15 . 1 1 42 42 ASP CA C 42 54.574 54.574 55.825 -1.250 19660 4042 1 15 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.989 0.205 19660 4043 1 15 . 1 1 42 42 ASP H H 42 8.254 8.254 7.647 0.607 19660 4044 1 15 . 1 1 43 43 ALA N N 43 124.610 124.610 122.618 1.992 19660 4045 1 15 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.227 0.253 19660 4046 1 15 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.762 -0.776 19660 4047 1 15 . 1 1 43 43 ALA CB C 43 20.651 20.651 19.505 1.146 19660 4048 1 15 . 1 1 43 43 ALA H H 43 8.104 8.104 7.346 0.758 19660 4049 1 15 . 1 1 44 44 GLU N N 44 121.280 121.280 123.152 -1.872 19660 4050 1 15 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.361 -0.134 19660 4051 1 15 . 1 1 44 44 GLU CA C 44 57.213 57.213 56.428 0.784 19660 4052 1 15 . 1 1 44 44 GLU H H 44 8.565 8.565 8.348 0.217 19660 4053 1 15 . 1 1 45 45 GLY N N 45 111.878 111.878 115.202 -3.324 19660 4054 1 15 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.849 0.948 19660 4055 1 15 . 1 1 45 45 GLY H H 45 8.749 8.749 8.833 -0.084 19660 4056 1 15 . 1 1 46 46 ALA N N 46 122.249 122.249 125.124 -2.875 19660 4057 1 15 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.411 0.145 19660 4058 1 15 . 1 1 46 46 ALA CA C 46 51.249 51.249 52.349 -1.100 19660 4059 1 15 . 1 1 46 46 ALA CB C 46 21.348 21.348 19.598 1.750 19660 4060 1 15 . 1 1 46 46 ALA H H 46 7.818 7.818 8.089 -0.271 19660 4061 1 15 . 1 1 47 47 THR N N 47 116.571 116.571 115.444 1.127 19660 4062 1 15 . 1 1 47 47 THR HA H 47 4.305 4.305 4.502 -0.197 19660 4063 1 15 . 1 1 47 47 THR CA C 47 61.924 61.924 61.259 0.665 19660 4064 1 15 . 1 1 47 47 THR H H 47 8.387 8.387 8.170 0.217 19660 4065 1 15 . 1 1 48 48 VAL N N 48 127.683 127.683 126.560 1.123 19660 4066 1 15 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.291 0.342 19660 4067 1 15 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.243 2.092 19660 4068 1 15 . 1 1 48 48 VAL H H 48 8.695 8.695 8.436 0.259 19660 4069 1 15 . 1 1 49 49 LEU N N 49 129.662 129.662 128.536 1.126 19660 4070 1 15 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.668 0.054 19660 4071 1 15 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.334 -0.524 19660 4072 1 15 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.975 -0.385 19660 4073 1 15 . 1 1 49 49 LEU H H 49 8.594 8.594 8.370 0.224 19660 4074 1 15 . 1 1 50 50 CYS N N 50 123.551 123.551 123.146 0.405 19660 4075 1 15 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.936 0.803 19660 4076 1 15 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.440 -3.151 19660 4077 1 15 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.584 17.840 19660 4078 1 15 . 1 1 50 50 CYS H H 50 8.910 8.910 8.308 0.602 19660 4079 1 15 . 1 1 51 51 CYS N N 51 119.604 119.604 125.956 -6.352 19660 4080 1 15 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.863 0.506 19660 4081 1 15 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.732 -4.133 19660 4082 1 15 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.771 17.733 19660 4083 1 15 . 1 1 51 51 CYS H H 51 9.281 9.281 9.000 0.281 19660 4084 1 15 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.343 0.635 19660 4085 1 15 . 1 1 52 52 PRO C C 52 175.082 175.082 176.480 -1.398 19660 4086 1 15 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.675 0.759 19660 4087 1 15 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.306 0.128 19660 4088 1 15 . 1 1 53 53 GLU N N 53 121.348 121.348 119.252 2.096 19660 4089 1 15 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.386 0.165 19660 4090 1 15 . 1 1 53 53 GLU C C 53 174.317 174.317 175.296 -0.979 19660 4091 1 15 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.562 0.143 19660 4092 1 15 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.755 1.320 19660 4093 1 15 . 1 1 53 53 GLU H H 53 7.232 7.232 7.768 -0.536 19660 4094 1 15 . 1 1 54 54 ASP N N 54 118.893 118.893 117.886 1.007 19660 4095 1 15 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.571 0.299 19660 4096 1 15 . 1 1 54 54 ASP C C 54 177.950 177.950 176.312 1.638 19660 4097 1 15 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.216 2.334 19660 4098 1 15 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.575 0.012 19660 4099 1 15 . 1 1 54 54 ASP H H 54 8.230 8.230 8.400 -0.170 19660 4100 1 15 . 1 1 55 55 LEU N N 55 113.945 113.945 118.628 -4.683 19660 4101 1 15 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.838 -0.148 19660 4102 1 15 . 1 1 55 55 LEU C C 55 176.734 176.734 176.547 0.187 19660 4103 1 15 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.340 0.306 19660 4104 1 15 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.500 -1.806 19660 4105 1 15 . 1 1 55 55 LEU H H 55 9.462 9.462 8.760 0.702 19660 4106 1 15 . 1 1 56 56 CYS N N 56 112.784 112.784 119.059 -6.275 19660 4107 1 15 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.434 0.080 19660 4108 1 15 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.022 -1.101 19660 4109 1 15 . 1 1 56 56 CYS CB C 56 46.728 46.728 28.002 18.726 19660 4110 1 15 . 1 1 56 56 CYS H H 56 7.647 7.647 9.025 -1.378 19660 4111 1 16 . 1 1 2 2 GLN N N 2 125.663 125.663 120.671 4.992 19660 4112 1 16 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.061 0.337 19660 4113 1 16 . 1 1 2 2 GLN C C 2 174.668 174.668 174.821 -0.153 19660 4114 1 16 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.857 -1.085 19660 4115 1 16 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.215 -1.192 19660 4116 1 16 . 1 1 2 2 GLN H H 2 8.383 8.383 8.406 -0.023 19660 4117 1 16 . 1 1 3 3 CYS N N 3 118.829 118.829 119.961 -1.132 19660 4118 1 16 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.143 0.003 19660 4119 1 16 . 1 1 3 3 CYS C C 3 174.118 174.118 174.202 -0.084 19660 4120 1 16 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.849 -5.882 19660 4121 1 16 . 1 1 3 3 CYS H H 3 9.023 9.023 9.333 -0.310 19660 4122 1 16 . 1 1 4 4 ASN N N 4 119.446 119.446 121.104 -1.658 19660 4123 1 16 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.842 0.190 19660 4124 1 16 . 1 1 4 4 ASN CA C 4 54.360 54.360 54.060 0.300 19660 4125 1 16 . 1 1 4 4 ASN CB C 4 39.627 39.627 39.856 -0.229 19660 4126 1 16 . 1 1 4 4 ASN H H 4 9.225 9.225 8.643 0.582 19660 4127 1 16 . 1 1 5 5 THR N N 5 109.185 109.185 110.436 -1.251 19660 4128 1 16 . 1 1 5 5 THR HA H 5 4.934 4.934 4.830 0.104 19660 4129 1 16 . 1 1 5 5 THR C C 5 176.984 176.984 176.136 0.848 19660 4130 1 16 . 1 1 5 5 THR CA C 5 60.188 60.188 59.868 0.320 19660 4131 1 16 . 1 1 5 5 THR CB C 5 70.286 70.286 72.554 -2.268 19660 4132 1 16 . 1 1 5 5 THR H H 5 7.823 7.823 8.219 -0.396 19660 4133 1 16 . 1 1 6 6 LEU N N 6 123.023 123.023 120.958 2.065 19660 4134 1 16 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.355 -0.382 19660 4135 1 16 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.222 0.402 19660 4136 1 16 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.669 1.223 19660 4137 1 16 . 1 1 6 6 LEU H H 6 8.958 8.958 8.388 0.570 19660 4138 1 16 . 1 1 7 7 ASP N N 7 115.117 115.117 119.071 -3.954 19660 4139 1 16 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.570 -0.036 19660 4140 1 16 . 1 1 7 7 ASP C C 7 176.415 176.415 177.042 -0.627 19660 4141 1 16 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.188 -0.448 19660 4142 1 16 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.811 -0.656 19660 4143 1 16 . 1 1 7 7 ASP H H 7 8.258 8.258 7.985 0.273 19660 4144 1 16 . 1 1 8 8 GLY N N 8 106.811 106.811 106.065 0.746 19660 4145 1 16 . 1 1 8 8 GLY C C 8 174.831 174.831 174.754 0.077 19660 4146 1 16 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.975 0.434 19660 4147 1 16 . 1 1 8 8 GLY H H 8 7.669 7.669 7.784 -0.115 19660 4148 1 16 . 1 1 9 9 GLY N N 9 109.185 109.185 108.765 0.420 19660 4149 1 16 . 1 1 9 9 GLY C C 9 173.522 173.522 172.756 0.766 19660 4150 1 16 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.288 -0.210 19660 4151 1 16 . 1 1 9 9 GLY H H 9 7.501 7.501 7.792 -0.291 19660 4152 1 16 . 1 1 10 10 THR N N 10 109.837 109.837 111.618 -1.781 19660 4153 1 16 . 1 1 10 10 THR HA H 10 5.220 5.220 4.658 0.562 19660 4154 1 16 . 1 1 10 10 THR CA C 10 60.357 60.357 60.742 -0.386 19660 4155 1 16 . 1 1 10 10 THR CB C 10 72.680 72.680 71.461 1.219 19660 4156 1 16 . 1 1 10 10 THR H H 10 8.115 8.115 8.025 0.090 19660 4157 1 16 . 1 1 11 11 GLU N N 11 121.356 121.356 122.998 -1.642 19660 4158 1 16 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.722 -0.096 19660 4159 1 16 . 1 1 11 11 GLU C C 11 174.150 174.150 175.460 -1.310 19660 4160 1 16 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.429 0.240 19660 4161 1 16 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.198 0.146 19660 4162 1 16 . 1 1 11 11 GLU H H 11 9.133 9.133 9.323 -0.190 19660 4163 1 16 . 1 1 12 12 GLU N N 12 125.546 125.546 122.275 3.271 19660 4164 1 16 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.497 -0.031 19660 4165 1 16 . 1 1 12 12 GLU C C 12 176.388 176.388 175.983 0.405 19660 4166 1 16 . 1 1 12 12 GLU CA C 12 55.607 55.607 56.034 -0.427 19660 4167 1 16 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.979 -0.139 19660 4168 1 16 . 1 1 12 12 GLU H H 12 8.710 8.710 8.591 0.119 19660 4169 1 16 . 1 1 13 13 CYS N N 13 125.853 125.853 123.996 1.857 19660 4170 1 16 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.743 0.174 19660 4171 1 16 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.857 -6.231 19660 4172 1 16 . 1 1 13 13 CYS CB C 13 37.284 37.284 28.020 9.264 19660 4173 1 16 . 1 1 13 13 CYS H H 13 8.840 8.840 8.525 0.315 19660 4174 1 16 . 1 1 14 14 ILE N N 14 127.700 127.700 119.716 7.984 19660 4175 1 16 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.656 -0.364 19660 4176 1 16 . 1 1 14 14 ILE CA C 14 60.386 60.386 57.257 3.129 19660 4177 1 16 . 1 1 14 14 ILE H H 14 8.387 8.387 8.289 0.098 19660 4178 1 16 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.422 0.007 19660 4179 1 16 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.710 0.077 19660 4180 1 16 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.658 1.748 19660 4181 1 16 . 1 1 16 16 GLY N N 16 111.774 111.774 112.560 -0.786 19660 4182 1 16 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.253 0.781 19660 4183 1 16 . 1 1 16 16 GLY H H 16 8.752 8.752 8.326 0.426 19660 4184 1 16 . 1 1 17 17 ILE N N 17 118.758 118.758 120.765 -2.007 19660 4185 1 16 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.123 -0.153 19660 4186 1 16 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.871 0.217 19660 4187 1 16 . 1 1 17 17 ILE CB C 17 39.291 39.291 39.512 -0.221 19660 4188 1 16 . 1 1 17 17 ILE H H 17 7.527 7.527 7.275 0.252 19660 4189 1 16 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.866 -0.166 19660 4190 1 16 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.317 1.056 19660 4191 1 16 . 1 1 18 18 TYR CB C 18 39.765 39.765 38.938 0.827 19660 4192 1 16 . 1 1 19 19 ASN N N 19 118.488 118.488 121.853 -3.365 19660 4193 1 16 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.901 -0.153 19660 4194 1 16 . 1 1 19 19 ASN C C 19 174.728 174.728 174.906 -0.178 19660 4195 1 16 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.460 -0.664 19660 4196 1 16 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.168 -1.779 19660 4197 1 16 . 1 1 19 19 ASN H H 19 8.512 8.512 9.127 -0.615 19660 4198 1 16 . 1 1 20 20 VAL N N 20 114.324 114.324 115.801 -1.477 19660 4199 1 16 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.534 0.153 19660 4200 1 16 . 1 1 20 20 VAL C C 20 173.641 173.641 174.020 -0.379 19660 4201 1 16 . 1 1 20 20 VAL CA C 20 60.122 60.122 59.807 0.315 19660 4202 1 16 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.023 1.917 19660 4203 1 16 . 1 1 20 20 VAL H H 20 8.064 8.064 7.953 0.111 19660 4204 1 16 . 1 1 21 21 CYS N N 21 117.375 117.375 117.308 0.067 19660 4205 1 16 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.839 0.692 19660 4206 1 16 . 1 1 21 21 CYS C C 21 169.343 169.343 172.839 -3.496 19660 4207 1 16 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.711 -5.211 19660 4208 1 16 . 1 1 21 21 CYS CB C 21 38.420 38.420 30.016 8.404 19660 4209 1 16 . 1 1 21 21 CYS H H 21 9.308 9.308 8.229 1.079 19660 4210 1 16 . 1 1 22 22 VAL N N 22 118.966 118.966 121.193 -2.227 19660 4211 1 16 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.454 1.025 19660 4212 1 16 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.441 -0.837 19660 4213 1 16 . 1 1 22 22 VAL CB C 22 36.237 36.237 34.761 1.476 19660 4214 1 16 . 1 1 22 22 VAL H H 22 9.168 9.168 8.028 1.140 19660 4215 1 16 . 1 1 23 23 HIS N N 23 127.041 127.041 126.577 0.464 19660 4216 1 16 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.762 0.753 19660 4217 1 16 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.373 -0.135 19660 4218 1 16 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.784 2.618 19660 4219 1 16 . 1 1 23 23 HIS H H 23 9.214 9.214 8.521 0.693 19660 4220 1 16 . 1 1 24 24 TYR N N 24 132.376 132.376 129.718 2.658 19660 4221 1 16 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.409 0.214 19660 4222 1 16 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.041 -0.391 19660 4223 1 16 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.303 1.745 19660 4224 1 16 . 1 1 24 24 TYR H H 24 8.967 8.967 8.942 0.025 19660 4225 1 16 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.420 0.409 19660 4226 1 16 . 1 1 25 25 LYS C C 25 173.479 173.479 174.699 -1.220 19660 4227 1 16 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.030 1.218 19660 4228 1 16 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.353 1.916 19660 4229 1 16 . 1 1 25 25 LYS H H 25 8.028 8.028 8.107 -0.079 19660 4230 1 16 . 1 1 26 26 SER N N 26 125.633 125.633 120.996 4.637 19660 4231 1 16 . 1 1 26 26 SER HA H 26 4.959 4.959 4.729 0.230 19660 4232 1 16 . 1 1 26 26 SER C C 26 174.081 174.081 173.894 0.187 19660 4233 1 16 . 1 1 26 26 SER CA C 26 56.012 56.012 57.296 -1.284 19660 4234 1 16 . 1 1 26 26 SER CB C 26 66.581 66.581 66.159 0.422 19660 4235 1 16 . 1 1 26 26 SER H H 26 9.314 9.314 8.593 0.721 19660 4236 1 16 . 1 1 27 27 GLU N N 27 118.790 118.790 121.032 -2.242 19660 4237 1 16 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.202 -0.126 19660 4238 1 16 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.767 1.381 19660 4239 1 16 . 1 1 27 27 GLU CB C 27 29.512 29.512 30.064 -0.551 19660 4240 1 16 . 1 1 27 27 GLU H H 27 8.848 8.848 8.726 0.122 19660 4241 1 16 . 1 1 28 28 ASP N N 28 114.555 114.555 119.037 -4.482 19660 4242 1 16 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.673 0.145 19660 4243 1 16 . 1 1 28 28 ASP C C 28 175.500 175.500 175.557 -0.057 19660 4244 1 16 . 1 1 28 28 ASP CA C 28 54.565 54.565 55.032 -0.467 19660 4245 1 16 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.715 1.567 19660 4246 1 16 . 1 1 28 28 ASP H H 28 8.145 8.145 8.220 -0.075 19660 4247 1 16 . 1 1 29 29 GLU N N 29 119.483 119.483 118.009 1.474 19660 4248 1 16 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.588 0.197 19660 4249 1 16 . 1 1 29 29 GLU C C 29 173.282 173.282 173.949 -0.667 19660 4250 1 16 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.501 0.170 19660 4251 1 16 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.545 1.325 19660 4252 1 16 . 1 1 29 29 GLU H H 29 7.774 7.774 7.957 -0.183 19660 4253 1 16 . 1 1 30 30 GLU N N 30 122.376 122.376 121.443 0.933 19660 4254 1 16 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.925 0.558 19660 4255 1 16 . 1 1 30 30 GLU C C 30 174.486 174.486 174.697 -0.211 19660 4256 1 16 . 1 1 30 30 GLU CA C 30 55.052 55.052 55.987 -0.935 19660 4257 1 16 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.179 0.674 19660 4258 1 16 . 1 1 30 30 GLU H H 30 8.419 8.419 8.620 -0.201 19660 4259 1 16 . 1 1 31 31 TYR N N 31 119.914 119.914 121.673 -1.759 19660 4260 1 16 . 1 1 31 31 TYR HA H 31 4.990 4.990 5.000 -0.010 19660 4261 1 16 . 1 1 31 31 TYR C C 31 173.240 173.240 172.768 0.472 19660 4262 1 16 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.542 0.816 19660 4263 1 16 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.305 -0.546 19660 4264 1 16 . 1 1 31 31 TYR H H 31 9.089 9.089 8.702 0.387 19660 4265 1 16 . 1 1 32 32 LYS N N 32 121.363 121.363 120.534 0.829 19660 4266 1 16 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.849 0.607 19660 4267 1 16 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.061 -0.127 19660 4268 1 16 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.868 1.474 19660 4269 1 16 . 1 1 32 32 LYS H H 32 8.643 8.643 8.541 0.102 19660 4270 1 16 . 1 1 33 33 SER N N 33 113.477 113.477 117.577 -4.100 19660 4271 1 16 . 1 1 33 33 SER HA H 33 4.599 4.599 4.767 -0.168 19660 4272 1 16 . 1 1 33 33 SER C C 33 174.210 174.210 172.536 1.674 19660 4273 1 16 . 1 1 33 33 SER CA C 33 58.123 58.123 58.141 -0.017 19660 4274 1 16 . 1 1 33 33 SER CB C 33 66.263 66.263 65.585 0.678 19660 4275 1 16 . 1 1 33 33 SER H H 33 8.151 8.151 8.101 0.050 19660 4276 1 16 . 1 1 34 34 CYS N N 34 118.998 118.998 121.937 -2.939 19660 4277 1 16 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.624 0.670 19660 4278 1 16 . 1 1 34 34 CYS C C 34 175.636 175.636 173.122 2.514 19660 4279 1 16 . 1 1 34 34 CYS CA C 34 58.728 58.728 58.830 -0.102 19660 4280 1 16 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.091 15.423 19660 4281 1 16 . 1 1 34 34 CYS H H 34 8.652 8.652 8.781 -0.129 19660 4282 1 16 . 1 1 35 35 GLY N N 35 112.013 112.013 107.258 4.755 19660 4283 1 16 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.962 -0.040 19660 4284 1 16 . 1 1 35 35 GLY H H 35 9.451 9.451 8.388 1.063 19660 4285 1 16 . 1 1 36 36 ILE N N 36 118.738 118.738 119.585 -0.847 19660 4286 1 16 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.687 0.164 19660 4287 1 16 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.303 0.573 19660 4288 1 16 . 1 1 36 36 ILE H H 36 8.576 8.576 7.869 0.707 19660 4289 1 16 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.840 0.107 19660 4290 1 16 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.165 0.100 19660 4291 1 16 . 1 1 38 38 GLU N N 38 117.838 117.838 118.323 -0.485 19660 4292 1 16 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.117 -0.063 19660 4293 1 16 . 1 1 38 38 GLU C C 38 177.610 177.610 177.973 -0.363 19660 4294 1 16 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.066 0.765 19660 4295 1 16 . 1 1 38 38 GLU H H 38 9.140 9.140 8.779 0.361 19660 4296 1 16 . 1 1 39 39 GLU N N 39 117.727 117.727 117.981 -0.254 19660 4297 1 16 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.321 0.041 19660 4298 1 16 . 1 1 39 39 GLU C C 39 177.387 177.387 177.688 -0.301 19660 4299 1 16 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.089 -0.932 19660 4300 1 16 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.269 -0.461 19660 4301 1 16 . 1 1 39 39 GLU H H 39 7.933 7.933 7.894 0.039 19660 4302 1 16 . 1 1 40 40 CYS N N 40 117.847 117.847 118.476 -0.629 19660 4303 1 16 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.382 -0.010 19660 4304 1 16 . 1 1 40 40 CYS C C 40 174.430 174.430 176.680 -2.250 19660 4305 1 16 . 1 1 40 40 CYS CA C 40 58.787 58.787 61.518 -2.731 19660 4306 1 16 . 1 1 40 40 CYS CB C 40 44.304 44.304 27.467 16.837 19660 4307 1 16 . 1 1 40 40 CYS H H 40 7.745 7.745 8.238 -0.493 19660 4308 1 16 . 1 1 41 41 GLU N N 41 120.521 120.521 120.746 -0.225 19660 4309 1 16 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.061 0.277 19660 4310 1 16 . 1 1 41 41 GLU CA C 41 56.224 56.224 58.588 -2.364 19660 4311 1 16 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.496 1.604 19660 4312 1 16 . 1 1 41 41 GLU H H 41 7.680 7.680 8.184 -0.504 19660 4313 1 16 . 1 1 42 42 ASP N N 42 121.236 121.236 118.996 2.240 19660 4314 1 16 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.390 0.202 19660 4315 1 16 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.396 -1.822 19660 4316 1 16 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.645 0.549 19660 4317 1 16 . 1 1 42 42 ASP H H 42 8.254 8.254 8.006 0.248 19660 4318 1 16 . 1 1 43 43 ALA N N 43 124.610 124.610 122.306 2.304 19660 4319 1 16 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.344 0.136 19660 4320 1 16 . 1 1 43 43 ALA CA C 43 51.986 51.986 51.671 0.315 19660 4321 1 16 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.104 2.547 19660 4322 1 16 . 1 1 43 43 ALA H H 43 8.104 8.104 7.363 0.741 19660 4323 1 16 . 1 1 44 44 GLU N N 44 121.280 121.280 124.529 -3.249 19660 4324 1 16 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.080 0.147 19660 4325 1 16 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.866 -0.653 19660 4326 1 16 . 1 1 44 44 GLU H H 44 8.565 8.565 7.945 0.620 19660 4327 1 16 . 1 1 45 45 GLY N N 45 111.878 111.878 113.301 -1.423 19660 4328 1 16 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.588 1.209 19660 4329 1 16 . 1 1 45 45 GLY H H 45 8.749 8.749 8.838 -0.089 19660 4330 1 16 . 1 1 46 46 ALA N N 46 122.249 122.249 124.509 -2.260 19660 4331 1 16 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.616 -0.060 19660 4332 1 16 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.588 -0.339 19660 4333 1 16 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.223 1.125 19660 4334 1 16 . 1 1 46 46 ALA H H 46 7.818 7.818 7.662 0.156 19660 4335 1 16 . 1 1 47 47 THR N N 47 116.571 116.571 115.951 0.620 19660 4336 1 16 . 1 1 47 47 THR HA H 47 4.305 4.305 4.541 -0.236 19660 4337 1 16 . 1 1 47 47 THR CA C 47 61.924 61.924 61.720 0.204 19660 4338 1 16 . 1 1 47 47 THR H H 47 8.387 8.387 8.226 0.161 19660 4339 1 16 . 1 1 48 48 VAL N N 48 127.683 127.683 126.040 1.643 19660 4340 1 16 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.259 0.374 19660 4341 1 16 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.117 2.219 19660 4342 1 16 . 1 1 48 48 VAL H H 48 8.695 8.695 8.493 0.202 19660 4343 1 16 . 1 1 49 49 LEU N N 49 129.662 129.662 128.491 1.171 19660 4344 1 16 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.646 0.076 19660 4345 1 16 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.581 -0.771 19660 4346 1 16 . 1 1 49 49 LEU CB C 49 44.590 44.590 43.812 0.778 19660 4347 1 16 . 1 1 49 49 LEU H H 49 8.594 8.594 8.292 0.302 19660 4348 1 16 . 1 1 50 50 CYS N N 50 123.551 123.551 123.494 0.057 19660 4349 1 16 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.769 0.970 19660 4350 1 16 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.614 -3.325 19660 4351 1 16 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.431 17.993 19660 4352 1 16 . 1 1 50 50 CYS H H 50 8.910 8.910 8.282 0.628 19660 4353 1 16 . 1 1 51 51 CYS N N 51 119.604 119.604 126.011 -6.407 19660 4354 1 16 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.864 0.505 19660 4355 1 16 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.721 -4.122 19660 4356 1 16 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.745 17.759 19660 4357 1 16 . 1 1 51 51 CYS H H 51 9.281 9.281 8.999 0.282 19660 4358 1 16 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.295 0.683 19660 4359 1 16 . 1 1 52 52 PRO C C 52 175.082 175.082 176.669 -1.587 19660 4360 1 16 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.725 0.709 19660 4361 1 16 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.244 0.190 19660 4362 1 16 . 1 1 53 53 GLU N N 53 121.348 121.348 118.621 2.727 19660 4363 1 16 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.503 0.048 19660 4364 1 16 . 1 1 53 53 GLU C C 53 174.317 174.317 175.063 -0.746 19660 4365 1 16 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.273 0.432 19660 4366 1 16 . 1 1 53 53 GLU CB C 53 32.075 32.075 31.121 0.954 19660 4367 1 16 . 1 1 53 53 GLU H H 53 7.232 7.232 7.844 -0.612 19660 4368 1 16 . 1 1 54 54 ASP N N 54 118.893 118.893 118.932 -0.039 19660 4369 1 16 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.508 0.362 19660 4370 1 16 . 1 1 54 54 ASP C C 54 177.950 177.950 176.259 1.691 19660 4371 1 16 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.378 2.172 19660 4372 1 16 . 1 1 54 54 ASP CB C 54 41.587 41.587 42.268 -0.681 19660 4373 1 16 . 1 1 54 54 ASP H H 54 8.230 8.230 8.366 -0.136 19660 4374 1 16 . 1 1 55 55 LEU N N 55 113.945 113.945 119.044 -5.099 19660 4375 1 16 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.848 -0.158 19660 4376 1 16 . 1 1 55 55 LEU C C 55 176.734 176.734 176.521 0.213 19660 4377 1 16 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.345 0.301 19660 4378 1 16 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.086 -1.392 19660 4379 1 16 . 1 1 55 55 LEU H H 55 9.462 9.462 8.907 0.555 19660 4380 1 16 . 1 1 56 56 CYS N N 56 112.784 112.784 118.897 -6.113 19660 4381 1 16 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.426 0.088 19660 4382 1 16 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.062 -1.141 19660 4383 1 16 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.853 18.875 19660 4384 1 16 . 1 1 56 56 CYS H H 56 7.647 7.647 9.046 -1.399 19660 4385 1 17 . 1 1 2 2 GLN N N 2 125.663 125.663 118.699 6.964 19660 4386 1 17 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.185 0.213 19660 4387 1 17 . 1 1 2 2 GLN C C 2 174.668 174.668 174.844 -0.176 19660 4388 1 17 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.834 -1.062 19660 4389 1 17 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.150 -1.127 19660 4390 1 17 . 1 1 2 2 GLN H H 2 8.383 8.383 8.348 0.035 19660 4391 1 17 . 1 1 3 3 CYS N N 3 118.829 118.829 119.950 -1.121 19660 4392 1 17 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.111 0.035 19660 4393 1 17 . 1 1 3 3 CYS C C 3 174.118 174.118 174.164 -0.046 19660 4394 1 17 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.887 -5.920 19660 4395 1 17 . 1 1 3 3 CYS H H 3 9.023 9.023 9.244 -0.221 19660 4396 1 17 . 1 1 4 4 ASN N N 4 119.446 119.446 122.111 -2.665 19660 4397 1 17 . 1 1 4 4 ASN HA H 4 5.032 5.032 5.168 -0.136 19660 4398 1 17 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.963 0.397 19660 4399 1 17 . 1 1 4 4 ASN CB C 4 39.627 39.627 39.881 -0.254 19660 4400 1 17 . 1 1 4 4 ASN H H 4 9.225 9.225 8.707 0.518 19660 4401 1 17 . 1 1 5 5 THR N N 5 109.185 109.185 110.722 -1.537 19660 4402 1 17 . 1 1 5 5 THR HA H 5 4.934 4.934 4.831 0.103 19660 4403 1 17 . 1 1 5 5 THR C C 5 176.984 176.984 175.989 0.995 19660 4404 1 17 . 1 1 5 5 THR CA C 5 60.188 60.188 59.794 0.394 19660 4405 1 17 . 1 1 5 5 THR CB C 5 70.286 70.286 72.404 -2.118 19660 4406 1 17 . 1 1 5 5 THR H H 5 7.823 7.823 8.135 -0.312 19660 4407 1 17 . 1 1 6 6 LEU N N 6 123.023 123.023 119.318 3.705 19660 4408 1 17 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.295 -0.322 19660 4409 1 17 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.978 -0.354 19660 4410 1 17 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.649 1.243 19660 4411 1 17 . 1 1 6 6 LEU H H 6 8.958 8.958 8.836 0.122 19660 4412 1 17 . 1 1 7 7 ASP N N 7 115.117 115.117 118.445 -3.328 19660 4413 1 17 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.505 0.029 19660 4414 1 17 . 1 1 7 7 ASP C C 7 176.415 176.415 177.111 -0.696 19660 4415 1 17 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.067 -0.327 19660 4416 1 17 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.583 -0.428 19660 4417 1 17 . 1 1 7 7 ASP H H 7 8.258 8.258 7.826 0.432 19660 4418 1 17 . 1 1 8 8 GLY N N 8 106.811 106.811 106.266 0.545 19660 4419 1 17 . 1 1 8 8 GLY C C 8 174.831 174.831 175.081 -0.250 19660 4420 1 17 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.944 0.465 19660 4421 1 17 . 1 1 8 8 GLY H H 8 7.669 7.669 7.847 -0.178 19660 4422 1 17 . 1 1 9 9 GLY N N 9 109.185 109.185 107.920 1.265 19660 4423 1 17 . 1 1 9 9 GLY C C 9 173.522 173.522 173.314 0.208 19660 4424 1 17 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.299 -0.221 19660 4425 1 17 . 1 1 9 9 GLY H H 9 7.501 7.501 8.011 -0.510 19660 4426 1 17 . 1 1 10 10 THR N N 10 109.837 109.837 111.707 -1.870 19660 4427 1 17 . 1 1 10 10 THR HA H 10 5.220 5.220 4.734 0.486 19660 4428 1 17 . 1 1 10 10 THR CA C 10 60.357 60.357 60.772 -0.415 19660 4429 1 17 . 1 1 10 10 THR CB C 10 72.680 72.680 71.053 1.627 19660 4430 1 17 . 1 1 10 10 THR H H 10 8.115 8.115 8.054 0.061 19660 4431 1 17 . 1 1 11 11 GLU N N 11 121.356 121.356 123.386 -2.030 19660 4432 1 17 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.683 -0.057 19660 4433 1 17 . 1 1 11 11 GLU C C 11 174.150 174.150 175.319 -1.169 19660 4434 1 17 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.820 -0.151 19660 4435 1 17 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.634 -0.290 19660 4436 1 17 . 1 1 11 11 GLU H H 11 9.133 9.133 8.881 0.252 19660 4437 1 17 . 1 1 12 12 GLU N N 12 125.546 125.546 122.823 2.723 19660 4438 1 17 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.734 -0.268 19660 4439 1 17 . 1 1 12 12 GLU C C 12 176.388 176.388 175.783 0.605 19660 4440 1 17 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.951 -0.344 19660 4441 1 17 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.929 -0.089 19660 4442 1 17 . 1 1 12 12 GLU H H 12 8.710 8.710 8.674 0.036 19660 4443 1 17 . 1 1 13 13 CYS N N 13 125.853 125.853 125.189 0.664 19660 4444 1 17 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.678 0.239 19660 4445 1 17 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.969 -6.343 19660 4446 1 17 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.591 10.693 19660 4447 1 17 . 1 1 13 13 CYS H H 13 8.840 8.840 8.360 0.480 19660 4448 1 17 . 1 1 14 14 ILE N N 14 127.700 127.700 124.770 2.930 19660 4449 1 17 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.435 -0.143 19660 4450 1 17 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.267 2.119 19660 4451 1 17 . 1 1 14 14 ILE H H 14 8.387 8.387 8.424 -0.037 19660 4452 1 17 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.480 -0.051 19660 4453 1 17 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.014 0.773 19660 4454 1 17 . 1 1 15 15 PRO CB C 15 32.406 32.406 32.036 0.370 19660 4455 1 17 . 1 1 16 16 GLY N N 16 111.774 111.774 111.138 0.636 19660 4456 1 17 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.315 0.719 19660 4457 1 17 . 1 1 16 16 GLY H H 16 8.752 8.752 8.846 -0.094 19660 4458 1 17 . 1 1 17 17 ILE N N 17 118.758 118.758 122.571 -3.813 19660 4459 1 17 . 1 1 17 17 ILE HA H 17 3.970 3.970 3.995 -0.025 19660 4460 1 17 . 1 1 17 17 ILE CA C 17 62.088 62.088 62.562 -0.474 19660 4461 1 17 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.385 0.907 19660 4462 1 17 . 1 1 17 17 ILE H H 17 7.527 7.527 7.239 0.288 19660 4463 1 17 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.689 0.011 19660 4464 1 17 . 1 1 18 18 TYR CA C 18 57.373 57.373 57.020 0.353 19660 4465 1 17 . 1 1 18 18 TYR CB C 18 39.765 39.765 37.631 2.134 19660 4466 1 17 . 1 1 19 19 ASN N N 19 118.488 118.488 121.511 -3.023 19660 4467 1 17 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.846 -0.098 19660 4468 1 17 . 1 1 19 19 ASN C C 19 174.728 174.728 174.731 -0.003 19660 4469 1 17 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.410 -0.614 19660 4470 1 17 . 1 1 19 19 ASN CB C 19 39.389 39.389 40.919 -1.530 19660 4471 1 17 . 1 1 19 19 ASN H H 19 8.512 8.512 8.970 -0.458 19660 4472 1 17 . 1 1 20 20 VAL N N 20 114.324 114.324 116.645 -2.321 19660 4473 1 17 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.747 -0.060 19660 4474 1 17 . 1 1 20 20 VAL C C 20 173.641 173.641 174.397 -0.756 19660 4475 1 17 . 1 1 20 20 VAL CA C 20 60.122 60.122 59.700 0.422 19660 4476 1 17 . 1 1 20 20 VAL CB C 20 36.941 36.941 34.860 2.081 19660 4477 1 17 . 1 1 20 20 VAL H H 20 8.064 8.064 7.949 0.115 19660 4478 1 17 . 1 1 21 21 CYS N N 21 117.375 117.375 115.417 1.958 19660 4479 1 17 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.809 0.722 19660 4480 1 17 . 1 1 21 21 CYS C C 21 169.343 169.343 172.543 -3.200 19660 4481 1 17 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.599 -5.099 19660 4482 1 17 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.271 9.149 19660 4483 1 17 . 1 1 21 21 CYS H H 21 9.308 9.308 8.368 0.940 19660 4484 1 17 . 1 1 22 22 VAL N N 22 118.966 118.966 120.553 -1.587 19660 4485 1 17 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.505 0.974 19660 4486 1 17 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.245 -0.641 19660 4487 1 17 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.692 0.545 19660 4488 1 17 . 1 1 22 22 VAL H H 22 9.168 9.168 8.337 0.831 19660 4489 1 17 . 1 1 23 23 HIS N N 23 127.041 127.041 126.110 0.931 19660 4490 1 17 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.761 0.754 19660 4491 1 17 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.334 -0.097 19660 4492 1 17 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.744 2.659 19660 4493 1 17 . 1 1 23 23 HIS H H 23 9.214 9.214 8.497 0.717 19660 4494 1 17 . 1 1 24 24 TYR N N 24 132.376 132.376 129.558 2.818 19660 4495 1 17 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.500 0.123 19660 4496 1 17 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.151 -0.501 19660 4497 1 17 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.535 1.513 19660 4498 1 17 . 1 1 24 24 TYR H H 24 8.967 8.967 8.865 0.102 19660 4499 1 17 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.449 0.380 19660 4500 1 17 . 1 1 25 25 LYS C C 25 173.479 173.479 174.979 -1.500 19660 4501 1 17 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.433 0.815 19660 4502 1 17 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.433 1.836 19660 4503 1 17 . 1 1 25 25 LYS H H 25 8.028 8.028 8.258 -0.230 19660 4504 1 17 . 1 1 26 26 SER N N 26 125.633 125.633 120.813 4.820 19660 4505 1 17 . 1 1 26 26 SER HA H 26 4.959 4.959 4.707 0.252 19660 4506 1 17 . 1 1 26 26 SER C C 26 174.081 174.081 173.609 0.472 19660 4507 1 17 . 1 1 26 26 SER CA C 26 56.012 56.012 57.308 -1.296 19660 4508 1 17 . 1 1 26 26 SER CB C 26 66.581 66.581 65.882 0.699 19660 4509 1 17 . 1 1 26 26 SER H H 26 9.314 9.314 8.570 0.744 19660 4510 1 17 . 1 1 27 27 GLU N N 27 118.790 118.790 120.668 -1.878 19660 4511 1 17 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.161 -0.085 19660 4512 1 17 . 1 1 27 27 GLU CA C 27 59.149 59.149 58.009 1.140 19660 4513 1 17 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.706 -0.194 19660 4514 1 17 . 1 1 27 27 GLU H H 27 8.848 8.848 8.643 0.205 19660 4515 1 17 . 1 1 28 28 ASP N N 28 114.555 114.555 119.624 -5.069 19660 4516 1 17 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.694 0.124 19660 4517 1 17 . 1 1 28 28 ASP C C 28 175.500 175.500 175.313 0.187 19660 4518 1 17 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.797 -0.232 19660 4519 1 17 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.449 1.833 19660 4520 1 17 . 1 1 28 28 ASP H H 28 8.145 8.145 8.281 -0.136 19660 4521 1 17 . 1 1 29 29 GLU N N 29 119.483 119.483 116.930 2.553 19660 4522 1 17 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.606 0.179 19660 4523 1 17 . 1 1 29 29 GLU C C 29 173.282 173.282 174.124 -0.842 19660 4524 1 17 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.466 0.205 19660 4525 1 17 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.865 1.005 19660 4526 1 17 . 1 1 29 29 GLU H H 29 7.774 7.774 7.923 -0.149 19660 4527 1 17 . 1 1 30 30 GLU N N 30 122.376 122.376 120.665 1.711 19660 4528 1 17 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.928 0.555 19660 4529 1 17 . 1 1 30 30 GLU C C 30 174.486 174.486 174.319 0.167 19660 4530 1 17 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.160 -1.109 19660 4531 1 17 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.515 0.338 19660 4532 1 17 . 1 1 30 30 GLU H H 30 8.419 8.419 8.619 -0.200 19660 4533 1 17 . 1 1 31 31 TYR N N 31 119.914 119.914 121.309 -1.395 19660 4534 1 17 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.990 -0.000 19660 4535 1 17 . 1 1 31 31 TYR C C 31 173.240 173.240 172.802 0.438 19660 4536 1 17 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.573 0.785 19660 4537 1 17 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.334 0.425 19660 4538 1 17 . 1 1 31 31 TYR H H 31 9.089 9.089 8.751 0.338 19660 4539 1 17 . 1 1 32 32 LYS N N 32 121.363 121.363 120.020 1.343 19660 4540 1 17 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.851 0.605 19660 4541 1 17 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.237 -0.303 19660 4542 1 17 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.844 1.498 19660 4543 1 17 . 1 1 32 32 LYS H H 32 8.643 8.643 8.523 0.120 19660 4544 1 17 . 1 1 33 33 SER N N 33 113.477 113.477 117.112 -3.635 19660 4545 1 17 . 1 1 33 33 SER HA H 33 4.599 4.599 4.631 -0.032 19660 4546 1 17 . 1 1 33 33 SER C C 33 174.210 174.210 172.584 1.626 19660 4547 1 17 . 1 1 33 33 SER CA C 33 58.123 58.123 58.035 0.088 19660 4548 1 17 . 1 1 33 33 SER CB C 33 66.263 66.263 64.953 1.310 19660 4549 1 17 . 1 1 33 33 SER H H 33 8.151 8.151 8.230 -0.079 19660 4550 1 17 . 1 1 34 34 CYS N N 34 118.998 118.998 120.236 -1.238 19660 4551 1 17 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.525 0.769 19660 4552 1 17 . 1 1 34 34 CYS C C 34 175.636 175.636 173.175 2.461 19660 4553 1 17 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.230 -0.502 19660 4554 1 17 . 1 1 34 34 CYS CB C 34 45.514 45.514 30.010 15.504 19660 4555 1 17 . 1 1 34 34 CYS H H 34 8.652 8.652 8.505 0.147 19660 4556 1 17 . 1 1 35 35 GLY N N 35 112.013 112.013 108.466 3.547 19660 4557 1 17 . 1 1 35 35 GLY CA C 35 45.922 45.922 46.053 -0.132 19660 4558 1 17 . 1 1 35 35 GLY H H 35 9.451 9.451 8.433 1.018 19660 4559 1 17 . 1 1 36 36 ILE N N 36 118.738 118.738 118.715 0.023 19660 4560 1 17 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.709 0.142 19660 4561 1 17 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.727 1.150 19660 4562 1 17 . 1 1 36 36 ILE H H 36 8.576 8.576 7.948 0.628 19660 4563 1 17 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.945 0.002 19660 4564 1 17 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.479 -0.214 19660 4565 1 17 . 1 1 38 38 GLU N N 38 117.838 117.838 115.911 1.927 19660 4566 1 17 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.159 -0.105 19660 4567 1 17 . 1 1 38 38 GLU C C 38 177.610 177.610 177.764 -0.154 19660 4568 1 17 . 1 1 38 38 GLU CA C 38 59.831 59.831 58.992 0.840 19660 4569 1 17 . 1 1 38 38 GLU H H 38 9.140 9.140 8.435 0.705 19660 4570 1 17 . 1 1 39 39 GLU N N 39 117.727 117.727 118.911 -1.184 19660 4571 1 17 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.350 0.012 19660 4572 1 17 . 1 1 39 39 GLU C C 39 177.387 177.387 177.894 -0.507 19660 4573 1 17 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.252 -1.095 19660 4574 1 17 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.256 -0.448 19660 4575 1 17 . 1 1 39 39 GLU H H 39 7.933 7.933 7.932 0.001 19660 4576 1 17 . 1 1 40 40 CYS N N 40 117.847 117.847 118.732 -0.885 19660 4577 1 17 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.387 -0.015 19660 4578 1 17 . 1 1 40 40 CYS C C 40 174.430 174.430 176.869 -2.439 19660 4579 1 17 . 1 1 40 40 CYS CA C 40 58.787 58.787 61.848 -3.061 19660 4580 1 17 . 1 1 40 40 CYS CB C 40 44.304 44.304 27.375 16.929 19660 4581 1 17 . 1 1 40 40 CYS H H 40 7.745 7.745 8.488 -0.743 19660 4582 1 17 . 1 1 41 41 GLU N N 41 120.521 120.521 120.968 -0.447 19660 4583 1 17 . 1 1 41 41 GLU HA H 41 4.338 4.338 3.986 0.352 19660 4584 1 17 . 1 1 41 41 GLU CA C 41 56.224 56.224 59.084 -2.860 19660 4585 1 17 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.401 1.699 19660 4586 1 17 . 1 1 41 41 GLU H H 41 7.680 7.680 7.929 -0.249 19660 4587 1 17 . 1 1 42 42 ASP N N 42 121.236 121.236 118.810 2.426 19660 4588 1 17 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.367 0.225 19660 4589 1 17 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.295 -1.722 19660 4590 1 17 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.733 0.461 19660 4591 1 17 . 1 1 42 42 ASP H H 42 8.254 8.254 7.893 0.361 19660 4592 1 17 . 1 1 43 43 ALA N N 43 124.610 124.610 122.863 1.747 19660 4593 1 17 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.266 0.214 19660 4594 1 17 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.062 -0.076 19660 4595 1 17 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.219 2.432 19660 4596 1 17 . 1 1 43 43 ALA H H 43 8.104 8.104 7.325 0.779 19660 4597 1 17 . 1 1 44 44 GLU N N 44 121.280 121.280 123.995 -2.715 19660 4598 1 17 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.191 0.036 19660 4599 1 17 . 1 1 44 44 GLU CA C 44 57.213 57.213 56.678 0.535 19660 4600 1 17 . 1 1 44 44 GLU H H 44 8.565 8.565 8.014 0.551 19660 4601 1 17 . 1 1 45 45 GLY N N 45 111.878 111.878 113.895 -2.017 19660 4602 1 17 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.741 1.056 19660 4603 1 17 . 1 1 45 45 GLY H H 45 8.749 8.749 8.717 0.032 19660 4604 1 17 . 1 1 46 46 ALA N N 46 122.249 122.249 124.978 -2.729 19660 4605 1 17 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.564 -0.008 19660 4606 1 17 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.766 -0.517 19660 4607 1 17 . 1 1 46 46 ALA CB C 46 21.348 21.348 19.986 1.362 19660 4608 1 17 . 1 1 46 46 ALA H H 46 7.818 7.818 8.145 -0.327 19660 4609 1 17 . 1 1 47 47 THR N N 47 116.571 116.571 115.020 1.551 19660 4610 1 17 . 1 1 47 47 THR HA H 47 4.305 4.305 4.369 -0.064 19660 4611 1 17 . 1 1 47 47 THR CA C 47 61.924 61.924 61.479 0.445 19660 4612 1 17 . 1 1 47 47 THR H H 47 8.387 8.387 8.179 0.208 19660 4613 1 17 . 1 1 48 48 VAL N N 48 127.683 127.683 126.250 1.433 19660 4614 1 17 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.290 0.343 19660 4615 1 17 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.217 2.118 19660 4616 1 17 . 1 1 48 48 VAL H H 48 8.695 8.695 8.383 0.312 19660 4617 1 17 . 1 1 49 49 LEU N N 49 129.662 129.662 127.383 2.279 19660 4618 1 17 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.725 -0.003 19660 4619 1 17 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.345 -0.535 19660 4620 1 17 . 1 1 49 49 LEU CB C 49 44.590 44.590 43.902 0.688 19660 4621 1 17 . 1 1 49 49 LEU H H 49 8.594 8.594 8.253 0.341 19660 4622 1 17 . 1 1 50 50 CYS N N 50 123.551 123.551 124.370 -0.819 19660 4623 1 17 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.745 0.994 19660 4624 1 17 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.657 -3.368 19660 4625 1 17 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.297 18.127 19660 4626 1 17 . 1 1 50 50 CYS H H 50 8.910 8.910 8.282 0.628 19660 4627 1 17 . 1 1 51 51 CYS N N 51 119.604 119.604 126.000 -6.396 19660 4628 1 17 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.848 0.521 19660 4629 1 17 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.683 -4.084 19660 4630 1 17 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.779 17.724 19660 4631 1 17 . 1 1 51 51 CYS H H 51 9.281 9.281 8.981 0.300 19660 4632 1 17 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.396 0.582 19660 4633 1 17 . 1 1 52 52 PRO C C 52 175.082 175.082 176.482 -1.400 19660 4634 1 17 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.805 0.629 19660 4635 1 17 . 1 1 52 52 PRO CB C 52 32.434 32.434 31.916 0.518 19660 4636 1 17 . 1 1 53 53 GLU N N 53 121.348 121.348 120.170 1.178 19660 4637 1 17 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.372 0.179 19660 4638 1 17 . 1 1 53 53 GLU C C 53 174.317 174.317 174.972 -0.655 19660 4639 1 17 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.344 0.361 19660 4640 1 17 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.810 1.265 19660 4641 1 17 . 1 1 53 53 GLU H H 53 7.232 7.232 7.905 -0.673 19660 4642 1 17 . 1 1 54 54 ASP N N 54 118.893 118.893 117.527 1.366 19660 4643 1 17 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.557 0.313 19660 4644 1 17 . 1 1 54 54 ASP C C 54 177.950 177.950 176.358 1.592 19660 4645 1 17 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.307 2.243 19660 4646 1 17 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.617 -0.030 19660 4647 1 17 . 1 1 54 54 ASP H H 54 8.230 8.230 8.361 -0.131 19660 4648 1 17 . 1 1 55 55 LEU N N 55 113.945 113.945 118.614 -4.669 19660 4649 1 17 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.830 -0.140 19660 4650 1 17 . 1 1 55 55 LEU C C 55 176.734 176.734 176.566 0.168 19660 4651 1 17 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.337 0.309 19660 4652 1 17 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.439 -1.745 19660 4653 1 17 . 1 1 55 55 LEU H H 55 9.462 9.462 8.817 0.645 19660 4654 1 17 . 1 1 56 56 CYS N N 56 112.784 112.784 119.158 -6.374 19660 4655 1 17 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.453 0.061 19660 4656 1 17 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.150 -1.229 19660 4657 1 17 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.746 18.982 19660 4658 1 17 . 1 1 56 56 CYS H H 56 7.647 7.647 9.071 -1.424 19660 4659 1 18 . 1 1 2 2 GLN N N 2 125.663 125.663 120.066 5.597 19660 4660 1 18 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.069 0.329 19660 4661 1 18 . 1 1 2 2 GLN C C 2 174.668 174.668 174.771 -0.103 19660 4662 1 18 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.939 -1.167 19660 4663 1 18 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.203 -1.180 19660 4664 1 18 . 1 1 2 2 GLN H H 2 8.383 8.383 8.507 -0.124 19660 4665 1 18 . 1 1 3 3 CYS N N 3 118.829 118.829 120.218 -1.389 19660 4666 1 18 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.156 -0.010 19660 4667 1 18 . 1 1 3 3 CYS C C 3 174.118 174.118 174.158 -0.040 19660 4668 1 18 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.833 -5.866 19660 4669 1 18 . 1 1 3 3 CYS H H 3 9.023 9.023 9.282 -0.259 19660 4670 1 18 . 1 1 4 4 ASN N N 4 119.446 119.446 120.598 -1.152 19660 4671 1 18 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.836 0.196 19660 4672 1 18 . 1 1 4 4 ASN CA C 4 54.360 54.360 54.115 0.245 19660 4673 1 18 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.009 -0.382 19660 4674 1 18 . 1 1 4 4 ASN H H 4 9.225 9.225 8.668 0.557 19660 4675 1 18 . 1 1 5 5 THR N N 5 109.185 109.185 109.560 -0.375 19660 4676 1 18 . 1 1 5 5 THR HA H 5 4.934 4.934 4.864 0.070 19660 4677 1 18 . 1 1 5 5 THR C C 5 176.984 176.984 176.378 0.606 19660 4678 1 18 . 1 1 5 5 THR CA C 5 60.188 60.188 59.862 0.326 19660 4679 1 18 . 1 1 5 5 THR CB C 5 70.286 70.286 72.474 -2.188 19660 4680 1 18 . 1 1 5 5 THR H H 5 7.823 7.823 8.214 -0.391 19660 4681 1 18 . 1 1 6 6 LEU N N 6 123.023 123.023 121.891 1.132 19660 4682 1 18 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.356 -0.383 19660 4683 1 18 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.632 -0.008 19660 4684 1 18 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.682 1.210 19660 4685 1 18 . 1 1 6 6 LEU H H 6 8.958 8.958 8.621 0.337 19660 4686 1 18 . 1 1 7 7 ASP N N 7 115.117 115.117 118.937 -3.820 19660 4687 1 18 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.578 -0.044 19660 4688 1 18 . 1 1 7 7 ASP C C 7 176.415 176.415 177.206 -0.791 19660 4689 1 18 . 1 1 7 7 ASP CA C 7 53.740 53.740 53.967 -0.227 19660 4690 1 18 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.544 -0.389 19660 4691 1 18 . 1 1 7 7 ASP H H 7 8.258 8.258 7.827 0.431 19660 4692 1 18 . 1 1 8 8 GLY N N 8 106.811 106.811 106.369 0.442 19660 4693 1 18 . 1 1 8 8 GLY C C 8 174.831 174.831 174.745 0.086 19660 4694 1 18 . 1 1 8 8 GLY CA C 8 45.409 45.409 44.995 0.414 19660 4695 1 18 . 1 1 8 8 GLY H H 8 7.669 7.669 7.782 -0.113 19660 4696 1 18 . 1 1 9 9 GLY N N 9 109.185 109.185 108.766 0.419 19660 4697 1 18 . 1 1 9 9 GLY C C 9 173.522 173.522 172.482 1.040 19660 4698 1 18 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.221 -0.143 19660 4699 1 18 . 1 1 9 9 GLY H H 9 7.501 7.501 7.771 -0.270 19660 4700 1 18 . 1 1 10 10 THR N N 10 109.837 109.837 111.204 -1.367 19660 4701 1 18 . 1 1 10 10 THR HA H 10 5.220 5.220 4.741 0.479 19660 4702 1 18 . 1 1 10 10 THR CA C 10 60.357 60.357 60.673 -0.316 19660 4703 1 18 . 1 1 10 10 THR CB C 10 72.680 72.680 71.306 1.373 19660 4704 1 18 . 1 1 10 10 THR H H 10 8.115 8.115 8.020 0.095 19660 4705 1 18 . 1 1 11 11 GLU N N 11 121.356 121.356 122.986 -1.630 19660 4706 1 18 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.793 -0.167 19660 4707 1 18 . 1 1 11 11 GLU C C 11 174.150 174.150 175.330 -1.180 19660 4708 1 18 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.224 0.445 19660 4709 1 18 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.386 -0.042 19660 4710 1 18 . 1 1 11 11 GLU H H 11 9.133 9.133 9.229 -0.096 19660 4711 1 18 . 1 1 12 12 GLU N N 12 125.546 125.546 120.930 4.616 19660 4712 1 18 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.551 -0.085 19660 4713 1 18 . 1 1 12 12 GLU C C 12 176.388 176.388 176.081 0.307 19660 4714 1 18 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.547 0.059 19660 4715 1 18 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.332 0.508 19660 4716 1 18 . 1 1 12 12 GLU H H 12 8.710 8.710 8.574 0.136 19660 4717 1 18 . 1 1 13 13 CYS N N 13 125.853 125.853 124.663 1.190 19660 4718 1 18 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.792 0.125 19660 4719 1 18 . 1 1 13 13 CYS CA C 13 52.626 52.626 59.278 -6.652 19660 4720 1 18 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.471 10.813 19660 4721 1 18 . 1 1 13 13 CYS H H 13 8.840 8.840 8.267 0.573 19660 4722 1 18 . 1 1 14 14 ILE N N 14 127.700 127.700 123.813 3.887 19660 4723 1 18 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.471 -0.179 19660 4724 1 18 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.577 1.809 19660 4725 1 18 . 1 1 14 14 ILE H H 14 8.387 8.387 8.399 -0.012 19660 4726 1 18 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.360 0.069 19660 4727 1 18 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.364 0.423 19660 4728 1 18 . 1 1 15 15 PRO CB C 15 32.406 32.406 29.988 2.418 19660 4729 1 18 . 1 1 16 16 GLY N N 16 111.774 111.774 111.079 0.695 19660 4730 1 18 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.866 0.168 19660 4731 1 18 . 1 1 16 16 GLY H H 16 8.752 8.752 8.306 0.446 19660 4732 1 18 . 1 1 17 17 ILE N N 17 118.758 118.758 121.141 -2.383 19660 4733 1 18 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.175 -0.205 19660 4734 1 18 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.447 0.641 19660 4735 1 18 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.324 0.967 19660 4736 1 18 . 1 1 17 17 ILE H H 17 7.527 7.527 7.726 -0.199 19660 4737 1 18 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.783 -0.083 19660 4738 1 18 . 1 1 18 18 TYR CA C 18 57.373 57.373 55.439 1.934 19660 4739 1 18 . 1 1 18 18 TYR CB C 18 39.765 39.765 37.106 2.659 19660 4740 1 18 . 1 1 19 19 ASN N N 19 118.488 118.488 121.182 -2.694 19660 4741 1 18 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.862 -0.114 19660 4742 1 18 . 1 1 19 19 ASN C C 19 174.728 174.728 174.923 -0.195 19660 4743 1 18 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.503 -0.707 19660 4744 1 18 . 1 1 19 19 ASN CB C 19 39.389 39.389 40.891 -1.502 19660 4745 1 18 . 1 1 19 19 ASN H H 19 8.512 8.512 8.991 -0.479 19660 4746 1 18 . 1 1 20 20 VAL N N 20 114.324 114.324 115.606 -1.282 19660 4747 1 18 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.557 0.130 19660 4748 1 18 . 1 1 20 20 VAL C C 20 173.641 173.641 174.047 -0.406 19660 4749 1 18 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.170 -0.048 19660 4750 1 18 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.203 1.738 19660 4751 1 18 . 1 1 20 20 VAL H H 20 8.064 8.064 7.958 0.106 19660 4752 1 18 . 1 1 21 21 CYS N N 21 117.375 117.375 116.623 0.752 19660 4753 1 18 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.831 0.700 19660 4754 1 18 . 1 1 21 21 CYS C C 21 169.343 169.343 172.730 -3.387 19660 4755 1 18 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.870 -5.370 19660 4756 1 18 . 1 1 21 21 CYS CB C 21 38.420 38.420 30.236 8.184 19660 4757 1 18 . 1 1 21 21 CYS H H 21 9.308 9.308 8.229 1.079 19660 4758 1 18 . 1 1 22 22 VAL N N 22 118.966 118.966 121.135 -2.169 19660 4759 1 18 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.461 1.018 19660 4760 1 18 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.483 -0.879 19660 4761 1 18 . 1 1 22 22 VAL CB C 22 36.237 36.237 34.840 1.397 19660 4762 1 18 . 1 1 22 22 VAL H H 22 9.168 9.168 8.038 1.130 19660 4763 1 18 . 1 1 23 23 HIS N N 23 127.041 127.041 126.612 0.429 19660 4764 1 18 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.760 0.755 19660 4765 1 18 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.390 -0.152 19660 4766 1 18 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.458 2.944 19660 4767 1 18 . 1 1 23 23 HIS H H 23 9.214 9.214 8.554 0.660 19660 4768 1 18 . 1 1 24 24 TYR N N 24 132.376 132.376 129.606 2.770 19660 4769 1 18 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.505 0.118 19660 4770 1 18 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.158 -0.508 19660 4771 1 18 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.563 1.485 19660 4772 1 18 . 1 1 24 24 TYR H H 24 8.967 8.967 8.703 0.264 19660 4773 1 18 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.443 0.386 19660 4774 1 18 . 1 1 25 25 LYS C C 25 173.479 173.479 174.947 -1.468 19660 4775 1 18 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.456 0.792 19660 4776 1 18 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.259 2.010 19660 4777 1 18 . 1 1 25 25 LYS H H 25 8.028 8.028 8.224 -0.196 19660 4778 1 18 . 1 1 26 26 SER N N 26 125.633 125.633 121.115 4.518 19660 4779 1 18 . 1 1 26 26 SER HA H 26 4.959 4.959 4.704 0.255 19660 4780 1 18 . 1 1 26 26 SER C C 26 174.081 174.081 173.603 0.478 19660 4781 1 18 . 1 1 26 26 SER CA C 26 56.012 56.012 57.292 -1.280 19660 4782 1 18 . 1 1 26 26 SER CB C 26 66.581 66.581 65.842 0.739 19660 4783 1 18 . 1 1 26 26 SER H H 26 9.314 9.314 8.594 0.720 19660 4784 1 18 . 1 1 27 27 GLU N N 27 118.790 118.790 121.143 -2.353 19660 4785 1 18 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.166 -0.090 19660 4786 1 18 . 1 1 27 27 GLU CA C 27 59.149 59.149 58.093 1.056 19660 4787 1 18 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.721 -0.209 19660 4788 1 18 . 1 1 27 27 GLU H H 27 8.848 8.848 8.674 0.174 19660 4789 1 18 . 1 1 28 28 ASP N N 28 114.555 114.555 119.667 -5.112 19660 4790 1 18 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.683 0.135 19660 4791 1 18 . 1 1 28 28 ASP C C 28 175.500 175.500 175.347 0.153 19660 4792 1 18 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.979 -0.414 19660 4793 1 18 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.483 1.799 19660 4794 1 18 . 1 1 28 28 ASP H H 28 8.145 8.145 8.280 -0.135 19660 4795 1 18 . 1 1 29 29 GLU N N 29 119.483 119.483 117.124 2.359 19660 4796 1 18 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.594 0.191 19660 4797 1 18 . 1 1 29 29 GLU C C 29 173.282 173.282 174.143 -0.861 19660 4798 1 18 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.462 0.210 19660 4799 1 18 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.914 0.956 19660 4800 1 18 . 1 1 29 29 GLU H H 29 7.774 7.774 7.885 -0.111 19660 4801 1 18 . 1 1 30 30 GLU N N 30 122.376 122.376 121.458 0.918 19660 4802 1 18 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.855 0.628 19660 4803 1 18 . 1 1 30 30 GLU C C 30 174.486 174.486 174.691 -0.205 19660 4804 1 18 . 1 1 30 30 GLU CA C 30 55.052 55.052 55.992 -0.940 19660 4805 1 18 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.170 0.683 19660 4806 1 18 . 1 1 30 30 GLU H H 30 8.419 8.419 8.621 -0.202 19660 4807 1 18 . 1 1 31 31 TYR N N 31 119.914 119.914 121.932 -2.018 19660 4808 1 18 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.976 0.014 19660 4809 1 18 . 1 1 31 31 TYR C C 31 173.240 173.240 172.999 0.241 19660 4810 1 18 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.413 0.946 19660 4811 1 18 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.322 -0.563 19660 4812 1 18 . 1 1 31 31 TYR H H 31 9.089 9.089 8.596 0.493 19660 4813 1 18 . 1 1 32 32 LYS N N 32 121.363 121.363 120.514 0.849 19660 4814 1 18 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.832 0.624 19660 4815 1 18 . 1 1 32 32 LYS CA C 32 55.934 55.934 55.893 0.041 19660 4816 1 18 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.816 1.526 19660 4817 1 18 . 1 1 32 32 LYS H H 32 8.643 8.643 8.570 0.073 19660 4818 1 18 . 1 1 33 33 SER N N 33 113.477 113.477 116.778 -3.301 19660 4819 1 18 . 1 1 33 33 SER HA H 33 4.599 4.599 4.744 -0.145 19660 4820 1 18 . 1 1 33 33 SER C C 33 174.210 174.210 172.381 1.829 19660 4821 1 18 . 1 1 33 33 SER CA C 33 58.123 58.123 57.838 0.285 19660 4822 1 18 . 1 1 33 33 SER CB C 33 66.263 66.263 65.382 0.881 19660 4823 1 18 . 1 1 33 33 SER H H 33 8.151 8.151 8.133 0.018 19660 4824 1 18 . 1 1 34 34 CYS N N 34 118.998 118.998 121.593 -2.595 19660 4825 1 18 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.611 0.683 19660 4826 1 18 . 1 1 34 34 CYS C C 34 175.636 175.636 173.474 2.162 19660 4827 1 18 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.174 -0.446 19660 4828 1 18 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.838 15.676 19660 4829 1 18 . 1 1 34 34 CYS H H 34 8.652 8.652 8.483 0.169 19660 4830 1 18 . 1 1 35 35 GLY N N 35 112.013 112.013 108.386 3.627 19660 4831 1 18 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.867 0.055 19660 4832 1 18 . 1 1 35 35 GLY H H 35 9.451 9.451 8.455 0.996 19660 4833 1 18 . 1 1 36 36 ILE N N 36 118.738 118.738 120.705 -1.967 19660 4834 1 18 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.589 0.262 19660 4835 1 18 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.066 0.811 19660 4836 1 18 . 1 1 36 36 ILE H H 36 8.576 8.576 8.021 0.555 19660 4837 1 18 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.807 0.140 19660 4838 1 18 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.300 -0.035 19660 4839 1 18 . 1 1 38 38 GLU N N 38 117.838 117.838 117.140 0.698 19660 4840 1 18 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.044 0.010 19660 4841 1 18 . 1 1 38 38 GLU C C 38 177.610 177.610 177.786 -0.176 19660 4842 1 18 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.180 0.651 19660 4843 1 18 . 1 1 38 38 GLU H H 38 9.140 9.140 8.681 0.459 19660 4844 1 18 . 1 1 39 39 GLU N N 39 117.727 117.727 117.087 0.640 19660 4845 1 18 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.435 -0.073 19660 4846 1 18 . 1 1 39 39 GLU C C 39 177.387 177.387 179.114 -1.727 19660 4847 1 18 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.192 -1.035 19660 4848 1 18 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.025 -0.217 19660 4849 1 18 . 1 1 39 39 GLU H H 39 7.933 7.933 7.903 0.030 19660 4850 1 18 . 1 1 40 40 CYS N N 40 117.847 117.847 119.659 -1.812 19660 4851 1 18 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.253 0.119 19660 4852 1 18 . 1 1 40 40 CYS C C 40 174.430 174.430 176.667 -2.237 19660 4853 1 18 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.762 -3.975 19660 4854 1 18 . 1 1 40 40 CYS CB C 40 44.304 44.304 26.105 18.199 19660 4855 1 18 . 1 1 40 40 CYS H H 40 7.745 7.745 8.616 -0.871 19660 4856 1 18 . 1 1 41 41 GLU N N 41 120.521 120.521 119.374 1.147 19660 4857 1 18 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.145 0.193 19660 4858 1 18 . 1 1 41 41 GLU CA C 41 56.224 56.224 57.505 -1.281 19660 4859 1 18 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.228 1.872 19660 4860 1 18 . 1 1 41 41 GLU H H 41 7.680 7.680 8.040 -0.360 19660 4861 1 18 . 1 1 42 42 ASP N N 42 121.236 121.236 120.395 0.841 19660 4862 1 18 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.408 0.184 19660 4863 1 18 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.357 -1.783 19660 4864 1 18 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.742 0.452 19660 4865 1 18 . 1 1 42 42 ASP H H 42 8.254 8.254 7.762 0.492 19660 4866 1 18 . 1 1 43 43 ALA N N 43 124.610 124.610 122.583 2.027 19660 4867 1 18 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.170 0.310 19660 4868 1 18 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.367 -0.381 19660 4869 1 18 . 1 1 43 43 ALA CB C 43 20.651 20.651 19.585 1.066 19660 4870 1 18 . 1 1 43 43 ALA H H 43 8.104 8.104 7.679 0.425 19660 4871 1 18 . 1 1 44 44 GLU N N 44 121.280 121.280 122.968 -1.688 19660 4872 1 18 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.314 -0.087 19660 4873 1 18 . 1 1 44 44 GLU CA C 44 57.213 57.213 56.468 0.745 19660 4874 1 18 . 1 1 44 44 GLU H H 44 8.565 8.565 8.391 0.174 19660 4875 1 18 . 1 1 45 45 GLY N N 45 111.878 111.878 115.209 -3.331 19660 4876 1 18 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.928 0.869 19660 4877 1 18 . 1 1 45 45 GLY H H 45 8.749 8.749 8.869 -0.120 19660 4878 1 18 . 1 1 46 46 ALA N N 46 122.249 122.249 124.078 -1.829 19660 4879 1 18 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.468 0.088 19660 4880 1 18 . 1 1 46 46 ALA CA C 46 51.249 51.249 52.276 -1.027 19660 4881 1 18 . 1 1 46 46 ALA CB C 46 21.348 21.348 19.622 1.726 19660 4882 1 18 . 1 1 46 46 ALA H H 46 7.818 7.818 7.663 0.155 19660 4883 1 18 . 1 1 47 47 THR N N 47 116.571 116.571 114.834 1.737 19660 4884 1 18 . 1 1 47 47 THR HA H 47 4.305 4.305 4.489 -0.184 19660 4885 1 18 . 1 1 47 47 THR CA C 47 61.924 61.924 61.480 0.444 19660 4886 1 18 . 1 1 47 47 THR H H 47 8.387 8.387 8.169 0.218 19660 4887 1 18 . 1 1 48 48 VAL N N 48 127.683 127.683 126.746 0.937 19660 4888 1 18 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.292 0.341 19660 4889 1 18 . 1 1 48 48 VAL CB C 48 34.335 34.335 31.854 2.481 19660 4890 1 18 . 1 1 48 48 VAL H H 48 8.695 8.695 8.450 0.245 19660 4891 1 18 . 1 1 49 49 LEU N N 49 129.662 129.662 127.974 1.688 19660 4892 1 18 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.625 0.097 19660 4893 1 18 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.373 -0.563 19660 4894 1 18 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.149 0.441 19660 4895 1 18 . 1 1 49 49 LEU H H 49 8.594 8.594 8.333 0.261 19660 4896 1 18 . 1 1 50 50 CYS N N 50 123.551 123.551 123.754 -0.203 19660 4897 1 18 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.779 0.960 19660 4898 1 18 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.595 -3.306 19660 4899 1 18 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.427 17.997 19660 4900 1 18 . 1 1 50 50 CYS H H 50 8.910 8.910 8.289 0.621 19660 4901 1 18 . 1 1 51 51 CYS N N 51 119.604 119.604 126.047 -6.443 19660 4902 1 18 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.862 0.507 19660 4903 1 18 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.743 -4.144 19660 4904 1 18 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.699 17.805 19660 4905 1 18 . 1 1 51 51 CYS H H 51 9.281 9.281 8.986 0.295 19660 4906 1 18 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.305 0.673 19660 4907 1 18 . 1 1 52 52 PRO C C 52 175.082 175.082 176.656 -1.574 19660 4908 1 18 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.707 0.727 19660 4909 1 18 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.023 0.411 19660 4910 1 18 . 1 1 53 53 GLU N N 53 121.348 121.348 119.263 2.085 19660 4911 1 18 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.346 0.205 19660 4912 1 18 . 1 1 53 53 GLU C C 53 174.317 174.317 174.716 -0.399 19660 4913 1 18 . 1 1 53 53 GLU CA C 53 55.705 55.705 54.836 0.869 19660 4914 1 18 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.816 1.259 19660 4915 1 18 . 1 1 53 53 GLU H H 53 7.232 7.232 7.849 -0.617 19660 4916 1 18 . 1 1 54 54 ASP N N 54 118.893 118.893 117.783 1.110 19660 4917 1 18 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.637 0.233 19660 4918 1 18 . 1 1 54 54 ASP C C 54 177.950 177.950 176.136 1.814 19660 4919 1 18 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.159 2.391 19660 4920 1 18 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.607 -0.020 19660 4921 1 18 . 1 1 54 54 ASP H H 54 8.230 8.230 8.362 -0.132 19660 4922 1 18 . 1 1 55 55 LEU N N 55 113.945 113.945 119.157 -5.212 19660 4923 1 18 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.823 -0.133 19660 4924 1 18 . 1 1 55 55 LEU C C 55 176.734 176.734 176.562 0.172 19660 4925 1 18 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.338 0.308 19660 4926 1 18 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.332 -1.638 19660 4927 1 18 . 1 1 55 55 LEU H H 55 9.462 9.462 8.864 0.598 19660 4928 1 18 . 1 1 56 56 CYS N N 56 112.784 112.784 118.598 -5.814 19660 4929 1 18 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.484 0.030 19660 4930 1 18 . 1 1 56 56 CYS CA C 56 56.921 56.921 57.903 -0.982 19660 4931 1 18 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.997 18.731 19660 4932 1 18 . 1 1 56 56 CYS H H 56 7.647 7.647 9.045 -1.398 19660 4933 1 19 . 1 1 2 2 GLN N N 2 125.663 125.663 120.516 5.147 19660 4934 1 19 . 1 1 2 2 GLN HA H 2 5.398 5.398 4.972 0.426 19660 4935 1 19 . 1 1 2 2 GLN C C 2 174.668 174.668 174.898 -0.230 19660 4936 1 19 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.971 -1.200 19660 4937 1 19 . 1 1 2 2 GLN CB C 2 32.023 32.023 32.966 -0.943 19660 4938 1 19 . 1 1 2 2 GLN H H 2 8.383 8.383 8.468 -0.085 19660 4939 1 19 . 1 1 3 3 CYS N N 3 118.829 118.829 120.300 -1.471 19660 4940 1 19 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.112 0.034 19660 4941 1 19 . 1 1 3 3 CYS C C 3 174.118 174.118 174.123 -0.005 19660 4942 1 19 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.992 -6.025 19660 4943 1 19 . 1 1 3 3 CYS H H 3 9.023 9.023 9.305 -0.282 19660 4944 1 19 . 1 1 4 4 ASN N N 4 119.446 119.446 120.205 -0.759 19660 4945 1 19 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.930 0.102 19660 4946 1 19 . 1 1 4 4 ASN CA C 4 54.360 54.360 54.035 0.325 19660 4947 1 19 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.010 -0.383 19660 4948 1 19 . 1 1 4 4 ASN H H 4 9.225 9.225 8.625 0.600 19660 4949 1 19 . 1 1 5 5 THR N N 5 109.185 109.185 108.239 0.946 19660 4950 1 19 . 1 1 5 5 THR HA H 5 4.934 4.934 4.852 0.082 19660 4951 1 19 . 1 1 5 5 THR C C 5 176.984 176.984 176.120 0.864 19660 4952 1 19 . 1 1 5 5 THR CA C 5 60.188 60.188 59.301 0.887 19660 4953 1 19 . 1 1 5 5 THR CB C 5 70.286 70.286 72.598 -2.312 19660 4954 1 19 . 1 1 5 5 THR H H 5 7.823 7.823 8.169 -0.346 19660 4955 1 19 . 1 1 6 6 LEU N N 6 123.023 123.023 119.593 3.430 19660 4956 1 19 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.346 -0.373 19660 4957 1 19 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.816 -0.193 19660 4958 1 19 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.796 1.096 19660 4959 1 19 . 1 1 6 6 LEU H H 6 8.958 8.958 8.939 0.019 19660 4960 1 19 . 1 1 7 7 ASP N N 7 115.117 115.117 118.615 -3.498 19660 4961 1 19 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.560 -0.026 19660 4962 1 19 . 1 1 7 7 ASP C C 7 176.415 176.415 177.026 -0.611 19660 4963 1 19 . 1 1 7 7 ASP CA C 7 53.740 53.740 53.561 0.179 19660 4964 1 19 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.218 -0.063 19660 4965 1 19 . 1 1 7 7 ASP H H 7 8.258 8.258 7.767 0.491 19660 4966 1 19 . 1 1 8 8 GLY N N 8 106.811 106.811 106.278 0.533 19660 4967 1 19 . 1 1 8 8 GLY C C 8 174.831 174.831 174.921 -0.090 19660 4968 1 19 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.079 0.330 19660 4969 1 19 . 1 1 8 8 GLY H H 8 7.669 7.669 7.762 -0.093 19660 4970 1 19 . 1 1 9 9 GLY N N 9 109.185 109.185 108.982 0.203 19660 4971 1 19 . 1 1 9 9 GLY C C 9 173.522 173.522 173.301 0.221 19660 4972 1 19 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.241 -0.163 19660 4973 1 19 . 1 1 9 9 GLY H H 9 7.501 7.501 7.828 -0.327 19660 4974 1 19 . 1 1 10 10 THR N N 10 109.837 109.837 111.130 -1.293 19660 4975 1 19 . 1 1 10 10 THR HA H 10 5.220 5.220 4.618 0.602 19660 4976 1 19 . 1 1 10 10 THR CA C 10 60.357 60.357 60.788 -0.431 19660 4977 1 19 . 1 1 10 10 THR CB C 10 72.680 72.680 71.101 1.579 19660 4978 1 19 . 1 1 10 10 THR H H 10 8.115 8.115 8.005 0.110 19660 4979 1 19 . 1 1 11 11 GLU N N 11 121.356 121.356 122.804 -1.448 19660 4980 1 19 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.760 -0.134 19660 4981 1 19 . 1 1 11 11 GLU C C 11 174.150 174.150 175.181 -1.031 19660 4982 1 19 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.358 0.312 19660 4983 1 19 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.582 -0.238 19660 4984 1 19 . 1 1 11 11 GLU H H 11 9.133 9.133 9.289 -0.156 19660 4985 1 19 . 1 1 12 12 GLU N N 12 125.546 125.546 120.676 4.870 19660 4986 1 19 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.512 -0.046 19660 4987 1 19 . 1 1 12 12 GLU C C 12 176.388 176.388 175.914 0.474 19660 4988 1 19 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.392 0.215 19660 4989 1 19 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.901 -0.061 19660 4990 1 19 . 1 1 12 12 GLU H H 12 8.710 8.710 8.555 0.155 19660 4991 1 19 . 1 1 13 13 CYS N N 13 125.853 125.853 124.955 0.898 19660 4992 1 19 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.840 0.077 19660 4993 1 19 . 1 1 13 13 CYS CA C 13 52.626 52.626 59.159 -6.533 19660 4994 1 19 . 1 1 13 13 CYS CB C 13 37.284 37.284 28.460 8.823 19660 4995 1 19 . 1 1 13 13 CYS H H 13 8.840 8.840 8.594 0.246 19660 4996 1 19 . 1 1 14 14 ILE N N 14 127.700 127.700 126.002 1.698 19660 4997 1 19 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.184 0.108 19660 4998 1 19 . 1 1 14 14 ILE CA C 14 60.386 60.386 59.495 0.891 19660 4999 1 19 . 1 1 14 14 ILE H H 14 8.387 8.387 8.771 -0.384 19660 5000 1 19 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.457 -0.028 19660 5001 1 19 . 1 1 15 15 PRO CA C 15 63.787 63.787 64.579 -0.792 19660 5002 1 19 . 1 1 15 15 PRO CB C 15 32.406 32.406 31.966 0.439 19660 5003 1 19 . 1 1 16 16 GLY N N 16 111.774 111.774 105.123 6.651 19660 5004 1 19 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.018 1.016 19660 5005 1 19 . 1 1 16 16 GLY H H 16 8.752 8.752 8.386 0.366 19660 5006 1 19 . 1 1 17 17 ILE N N 17 118.758 118.758 119.009 -0.251 19660 5007 1 19 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.196 -0.226 19660 5008 1 19 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.445 0.643 19660 5009 1 19 . 1 1 17 17 ILE CB C 17 39.291 39.291 39.778 -0.486 19660 5010 1 19 . 1 1 17 17 ILE H H 17 7.527 7.527 7.197 0.330 19660 5011 1 19 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.587 0.113 19660 5012 1 19 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.974 0.399 19660 5013 1 19 . 1 1 18 18 TYR CB C 18 39.765 39.765 37.135 2.630 19660 5014 1 19 . 1 1 19 19 ASN N N 19 118.488 118.488 120.728 -2.240 19660 5015 1 19 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.819 -0.071 19660 5016 1 19 . 1 1 19 19 ASN C C 19 174.728 174.728 174.974 -0.246 19660 5017 1 19 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.416 -0.620 19660 5018 1 19 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.183 -1.794 19660 5019 1 19 . 1 1 19 19 ASN H H 19 8.512 8.512 8.921 -0.409 19660 5020 1 19 . 1 1 20 20 VAL N N 20 114.324 114.324 114.385 -0.061 19660 5021 1 19 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.574 0.113 19660 5022 1 19 . 1 1 20 20 VAL C C 20 173.641 173.641 173.899 -0.258 19660 5023 1 19 . 1 1 20 20 VAL CA C 20 60.122 60.122 59.986 0.136 19660 5024 1 19 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.251 1.690 19660 5025 1 19 . 1 1 20 20 VAL H H 20 8.064 8.064 7.874 0.190 19660 5026 1 19 . 1 1 21 21 CYS N N 21 117.375 117.375 117.468 -0.093 19660 5027 1 19 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.836 0.695 19660 5028 1 19 . 1 1 21 21 CYS C C 21 169.343 169.343 172.726 -3.383 19660 5029 1 19 . 1 1 21 21 CYS CA C 21 52.500 52.500 58.002 -5.502 19660 5030 1 19 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.643 8.777 19660 5031 1 19 . 1 1 21 21 CYS H H 21 9.308 9.308 8.256 1.052 19660 5032 1 19 . 1 1 22 22 VAL N N 22 118.966 118.966 120.538 -1.572 19660 5033 1 19 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.438 1.041 19660 5034 1 19 . 1 1 22 22 VAL CA C 22 60.604 60.604 60.830 -0.226 19660 5035 1 19 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.321 0.916 19660 5036 1 19 . 1 1 22 22 VAL H H 22 9.168 9.168 8.020 1.148 19660 5037 1 19 . 1 1 23 23 HIS N N 23 127.041 127.041 126.248 0.793 19660 5038 1 19 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.770 0.745 19660 5039 1 19 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.394 -0.156 19660 5040 1 19 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.644 2.758 19660 5041 1 19 . 1 1 23 23 HIS H H 23 9.214 9.214 8.476 0.738 19660 5042 1 19 . 1 1 24 24 TYR N N 24 132.376 132.376 129.519 2.857 19660 5043 1 19 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.433 0.190 19660 5044 1 19 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.051 -0.401 19660 5045 1 19 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.486 1.562 19660 5046 1 19 . 1 1 24 24 TYR H H 24 8.967 8.967 8.715 0.252 19660 5047 1 19 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.418 0.411 19660 5048 1 19 . 1 1 25 25 LYS C C 25 173.479 173.479 174.707 -1.228 19660 5049 1 19 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.242 1.006 19660 5050 1 19 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.409 1.860 19660 5051 1 19 . 1 1 25 25 LYS H H 25 8.028 8.028 8.117 -0.089 19660 5052 1 19 . 1 1 26 26 SER N N 26 125.633 125.633 121.645 3.988 19660 5053 1 19 . 1 1 26 26 SER HA H 26 4.959 4.959 4.737 0.222 19660 5054 1 19 . 1 1 26 26 SER C C 26 174.081 174.081 173.827 0.254 19660 5055 1 19 . 1 1 26 26 SER CA C 26 56.012 56.012 57.285 -1.273 19660 5056 1 19 . 1 1 26 26 SER CB C 26 66.581 66.581 65.847 0.734 19660 5057 1 19 . 1 1 26 26 SER H H 26 9.314 9.314 8.683 0.631 19660 5058 1 19 . 1 1 27 27 GLU N N 27 118.790 118.790 120.892 -2.102 19660 5059 1 19 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.195 -0.119 19660 5060 1 19 . 1 1 27 27 GLU CA C 27 59.149 59.149 58.017 1.132 19660 5061 1 19 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.997 -0.485 19660 5062 1 19 . 1 1 27 27 GLU H H 27 8.848 8.848 8.754 0.094 19660 5063 1 19 . 1 1 28 28 ASP N N 28 114.555 114.555 118.630 -4.075 19660 5064 1 19 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.660 0.158 19660 5065 1 19 . 1 1 28 28 ASP C C 28 175.500 175.500 175.290 0.210 19660 5066 1 19 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.930 -0.365 19660 5067 1 19 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.538 1.744 19660 5068 1 19 . 1 1 28 28 ASP H H 28 8.145 8.145 8.164 -0.019 19660 5069 1 19 . 1 1 29 29 GLU N N 29 119.483 119.483 117.067 2.416 19660 5070 1 19 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.593 0.192 19660 5071 1 19 . 1 1 29 29 GLU C C 29 173.282 173.282 174.119 -0.837 19660 5072 1 19 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.478 0.193 19660 5073 1 19 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.887 0.983 19660 5074 1 19 . 1 1 29 29 GLU H H 29 7.774 7.774 7.892 -0.118 19660 5075 1 19 . 1 1 30 30 GLU N N 30 122.376 122.376 120.705 1.671 19660 5076 1 19 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.908 0.575 19660 5077 1 19 . 1 1 30 30 GLU C C 30 174.486 174.486 174.268 0.218 19660 5078 1 19 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.167 -1.115 19660 5079 1 19 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.505 0.348 19660 5080 1 19 . 1 1 30 30 GLU H H 30 8.419 8.419 8.613 -0.194 19660 5081 1 19 . 1 1 31 31 TYR N N 31 119.914 119.914 121.245 -1.331 19660 5082 1 19 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.987 0.003 19660 5083 1 19 . 1 1 31 31 TYR C C 31 173.240 173.240 172.762 0.478 19660 5084 1 19 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.533 0.825 19660 5085 1 19 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.352 0.407 19660 5086 1 19 . 1 1 31 31 TYR H H 31 9.089 9.089 8.669 0.420 19660 5087 1 19 . 1 1 32 32 LYS N N 32 121.363 121.363 120.650 0.713 19660 5088 1 19 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.914 0.542 19660 5089 1 19 . 1 1 32 32 LYS CA C 32 55.934 55.934 55.846 0.088 19660 5090 1 19 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.387 1.955 19660 5091 1 19 . 1 1 32 32 LYS H H 32 8.643 8.643 8.486 0.157 19660 5092 1 19 . 1 1 33 33 SER N N 33 113.477 113.477 116.750 -3.273 19660 5093 1 19 . 1 1 33 33 SER HA H 33 4.599 4.599 4.683 -0.084 19660 5094 1 19 . 1 1 33 33 SER C C 33 174.210 174.210 171.970 2.240 19660 5095 1 19 . 1 1 33 33 SER CA C 33 58.123 58.123 58.291 -0.168 19660 5096 1 19 . 1 1 33 33 SER CB C 33 66.263 66.263 64.746 1.518 19660 5097 1 19 . 1 1 33 33 SER H H 33 8.151 8.151 8.222 -0.071 19660 5098 1 19 . 1 1 34 34 CYS N N 34 118.998 118.998 121.665 -2.667 19660 5099 1 19 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.581 0.713 19660 5100 1 19 . 1 1 34 34 CYS C C 34 175.636 175.636 173.214 2.422 19660 5101 1 19 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.386 -0.658 19660 5102 1 19 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.941 15.573 19660 5103 1 19 . 1 1 34 34 CYS H H 34 8.652 8.652 8.486 0.166 19660 5104 1 19 . 1 1 35 35 GLY N N 35 112.013 112.013 108.281 3.732 19660 5105 1 19 . 1 1 35 35 GLY CA C 35 45.922 45.922 45.932 -0.010 19660 5106 1 19 . 1 1 35 35 GLY H H 35 9.451 9.451 8.387 1.064 19660 5107 1 19 . 1 1 36 36 ILE N N 36 118.738 118.738 119.343 -0.605 19660 5108 1 19 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.709 0.142 19660 5109 1 19 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.923 0.954 19660 5110 1 19 . 1 1 36 36 ILE H H 36 8.576 8.576 8.069 0.507 19660 5111 1 19 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.911 0.036 19660 5112 1 19 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.514 -0.249 19660 5113 1 19 . 1 1 38 38 GLU N N 38 117.838 117.838 116.990 0.848 19660 5114 1 19 . 1 1 38 38 GLU HA H 38 4.054 4.054 3.973 0.081 19660 5115 1 19 . 1 1 38 38 GLU C C 38 177.610 177.610 177.185 0.425 19660 5116 1 19 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.737 0.094 19660 5117 1 19 . 1 1 38 38 GLU H H 38 9.140 9.140 8.547 0.593 19660 5118 1 19 . 1 1 39 39 GLU N N 39 117.727 117.727 116.751 0.976 19660 5119 1 19 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.294 0.068 19660 5120 1 19 . 1 1 39 39 GLU C C 39 177.387 177.387 177.933 -0.546 19660 5121 1 19 . 1 1 39 39 GLU CA C 39 57.157 57.157 57.918 -0.761 19660 5122 1 19 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.212 -0.404 19660 5123 1 19 . 1 1 39 39 GLU H H 39 7.933 7.933 7.850 0.083 19660 5124 1 19 . 1 1 40 40 CYS N N 40 117.847 117.847 119.353 -1.506 19660 5125 1 19 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.391 -0.019 19660 5126 1 19 . 1 1 40 40 CYS C C 40 174.430 174.430 176.943 -2.513 19660 5127 1 19 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.190 -3.402 19660 5128 1 19 . 1 1 40 40 CYS CB C 40 44.304 44.304 27.348 16.956 19660 5129 1 19 . 1 1 40 40 CYS H H 40 7.745 7.745 8.344 -0.599 19660 5130 1 19 . 1 1 41 41 GLU N N 41 120.521 120.521 120.857 -0.336 19660 5131 1 19 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.123 0.215 19660 5132 1 19 . 1 1 41 41 GLU CA C 41 56.224 56.224 58.166 -1.942 19660 5133 1 19 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.550 1.550 19660 5134 1 19 . 1 1 41 41 GLU H H 41 7.680 7.680 8.164 -0.484 19660 5135 1 19 . 1 1 42 42 ASP N N 42 121.236 121.236 118.623 2.613 19660 5136 1 19 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.427 0.165 19660 5137 1 19 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.005 -1.431 19660 5138 1 19 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.846 0.348 19660 5139 1 19 . 1 1 42 42 ASP H H 42 8.254 8.254 8.098 0.156 19660 5140 1 19 . 1 1 43 43 ALA N N 43 124.610 124.610 122.513 2.097 19660 5141 1 19 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.354 0.126 19660 5142 1 19 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.467 -0.481 19660 5143 1 19 . 1 1 43 43 ALA CB C 43 20.651 20.651 19.769 0.882 19660 5144 1 19 . 1 1 43 43 ALA H H 43 8.104 8.104 7.293 0.811 19660 5145 1 19 . 1 1 44 44 GLU N N 44 121.280 121.280 123.204 -1.924 19660 5146 1 19 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.276 -0.049 19660 5147 1 19 . 1 1 44 44 GLU CA C 44 57.213 57.213 56.104 1.109 19660 5148 1 19 . 1 1 44 44 GLU H H 44 8.565 8.565 8.345 0.220 19660 5149 1 19 . 1 1 45 45 GLY N N 45 111.878 111.878 114.624 -2.746 19660 5150 1 19 . 1 1 45 45 GLY CA C 45 45.797 45.797 45.151 0.646 19660 5151 1 19 . 1 1 45 45 GLY H H 45 8.749 8.749 9.006 -0.257 19660 5152 1 19 . 1 1 46 46 ALA N N 46 122.249 122.249 125.162 -2.913 19660 5153 1 19 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.436 0.120 19660 5154 1 19 . 1 1 46 46 ALA CA C 46 51.249 51.249 52.486 -1.238 19660 5155 1 19 . 1 1 46 46 ALA CB C 46 21.348 21.348 19.599 1.749 19660 5156 1 19 . 1 1 46 46 ALA H H 46 7.818 7.818 7.667 0.151 19660 5157 1 19 . 1 1 47 47 THR N N 47 116.571 116.571 115.382 1.189 19660 5158 1 19 . 1 1 47 47 THR HA H 47 4.305 4.305 4.509 -0.204 19660 5159 1 19 . 1 1 47 47 THR CA C 47 61.924 61.924 61.733 0.190 19660 5160 1 19 . 1 1 47 47 THR H H 47 8.387 8.387 8.198 0.189 19660 5161 1 19 . 1 1 48 48 VAL N N 48 127.683 127.683 124.998 2.685 19660 5162 1 19 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.355 0.278 19660 5163 1 19 . 1 1 48 48 VAL CB C 48 34.335 34.335 33.161 1.174 19660 5164 1 19 . 1 1 48 48 VAL H H 48 8.695 8.695 8.371 0.324 19660 5165 1 19 . 1 1 49 49 LEU N N 49 129.662 129.662 127.480 2.182 19660 5166 1 19 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.708 0.014 19660 5167 1 19 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.514 -0.704 19660 5168 1 19 . 1 1 49 49 LEU CB C 49 44.590 44.590 43.571 1.019 19660 5169 1 19 . 1 1 49 49 LEU H H 49 8.594 8.594 8.175 0.419 19660 5170 1 19 . 1 1 50 50 CYS N N 50 123.551 123.551 124.259 -0.708 19660 5171 1 19 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.780 0.959 19660 5172 1 19 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.695 -3.406 19660 5173 1 19 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.373 18.051 19660 5174 1 19 . 1 1 50 50 CYS H H 50 8.910 8.910 8.272 0.638 19660 5175 1 19 . 1 1 51 51 CYS N N 51 119.604 119.604 125.886 -6.282 19660 5176 1 19 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.857 0.512 19660 5177 1 19 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.680 -4.081 19660 5178 1 19 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.865 17.639 19660 5179 1 19 . 1 1 51 51 CYS H H 51 9.281 9.281 9.002 0.279 19660 5180 1 19 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.330 0.648 19660 5181 1 19 . 1 1 52 52 PRO C C 52 175.082 175.082 176.424 -1.342 19660 5182 1 19 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.733 0.701 19660 5183 1 19 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.280 0.154 19660 5184 1 19 . 1 1 53 53 GLU N N 53 121.348 121.348 119.361 1.987 19660 5185 1 19 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.408 0.143 19660 5186 1 19 . 1 1 53 53 GLU C C 53 174.317 174.317 175.346 -1.029 19660 5187 1 19 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.454 0.251 19660 5188 1 19 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.559 1.516 19660 5189 1 19 . 1 1 53 53 GLU H H 53 7.232 7.232 7.810 -0.578 19660 5190 1 19 . 1 1 54 54 ASP N N 54 118.893 118.893 117.481 1.412 19660 5191 1 19 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.562 0.308 19660 5192 1 19 . 1 1 54 54 ASP C C 54 177.950 177.950 176.301 1.649 19660 5193 1 19 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.382 2.168 19660 5194 1 19 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.660 -0.072 19660 5195 1 19 . 1 1 54 54 ASP H H 54 8.230 8.230 8.363 -0.133 19660 5196 1 19 . 1 1 55 55 LEU N N 55 113.945 113.945 118.552 -4.607 19660 5197 1 19 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.841 -0.151 19660 5198 1 19 . 1 1 55 55 LEU C C 55 176.734 176.734 176.511 0.223 19660 5199 1 19 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.302 0.344 19660 5200 1 19 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.527 -1.833 19660 5201 1 19 . 1 1 55 55 LEU H H 55 9.462 9.462 8.771 0.691 19660 5202 1 19 . 1 1 56 56 CYS N N 56 112.784 112.784 119.136 -6.352 19660 5203 1 19 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.437 0.077 19660 5204 1 19 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.097 -1.176 19660 5205 1 19 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.885 18.843 19660 5206 1 19 . 1 1 56 56 CYS H H 56 7.647 7.647 9.040 -1.393 19660 5207 1 20 . 1 1 2 2 GLN N N 2 125.663 125.663 120.628 5.035 19660 5208 1 20 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.036 0.362 19660 5209 1 20 . 1 1 2 2 GLN C C 2 174.668 174.668 174.724 -0.056 19660 5210 1 20 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.642 -0.870 19660 5211 1 20 . 1 1 2 2 GLN CB C 2 32.023 32.023 32.501 -0.478 19660 5212 1 20 . 1 1 2 2 GLN H H 2 8.383 8.383 8.566 -0.183 19660 5213 1 20 . 1 1 3 3 CYS N N 3 118.829 118.829 119.894 -1.065 19660 5214 1 20 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.005 0.141 19660 5215 1 20 . 1 1 3 3 CYS C C 3 174.118 174.118 174.262 -0.144 19660 5216 1 20 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.799 -5.832 19660 5217 1 20 . 1 1 3 3 CYS H H 3 9.023 9.023 9.235 -0.212 19660 5218 1 20 . 1 1 4 4 ASN N N 4 119.446 119.446 121.423 -1.977 19660 5219 1 20 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.967 0.065 19660 5220 1 20 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.854 0.506 19660 5221 1 20 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.122 -0.495 19660 5222 1 20 . 1 1 4 4 ASN H H 4 9.225 9.225 8.512 0.713 19660 5223 1 20 . 1 1 5 5 THR N N 5 109.185 109.185 108.053 1.132 19660 5224 1 20 . 1 1 5 5 THR HA H 5 4.934 4.934 4.864 0.070 19660 5225 1 20 . 1 1 5 5 THR C C 5 176.984 176.984 176.263 0.721 19660 5226 1 20 . 1 1 5 5 THR CA C 5 60.188 60.188 59.361 0.827 19660 5227 1 20 . 1 1 5 5 THR CB C 5 70.286 70.286 72.686 -2.400 19660 5228 1 20 . 1 1 5 5 THR H H 5 7.823 7.823 8.189 -0.366 19660 5229 1 20 . 1 1 6 6 LEU N N 6 123.023 123.023 120.311 2.712 19660 5230 1 20 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.332 -0.359 19660 5231 1 20 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.642 -0.018 19660 5232 1 20 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.713 1.179 19660 5233 1 20 . 1 1 6 6 LEU H H 6 8.958 8.958 8.967 -0.009 19660 5234 1 20 . 1 1 7 7 ASP N N 7 115.117 115.117 118.885 -3.768 19660 5235 1 20 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.580 -0.046 19660 5236 1 20 . 1 1 7 7 ASP C C 7 176.415 176.415 177.169 -0.754 19660 5237 1 20 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.090 -0.349 19660 5238 1 20 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.682 -0.527 19660 5239 1 20 . 1 1 7 7 ASP H H 7 8.258 8.258 7.696 0.562 19660 5240 1 20 . 1 1 8 8 GLY N N 8 106.811 106.811 105.884 0.927 19660 5241 1 20 . 1 1 8 8 GLY C C 8 174.831 174.831 174.801 0.030 19660 5242 1 20 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.015 0.394 19660 5243 1 20 . 1 1 8 8 GLY H H 8 7.669 7.669 7.853 -0.184 19660 5244 1 20 . 1 1 9 9 GLY N N 9 109.185 109.185 108.954 0.231 19660 5245 1 20 . 1 1 9 9 GLY C C 9 173.522 173.522 172.846 0.676 19660 5246 1 20 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.085 -0.007 19660 5247 1 20 . 1 1 9 9 GLY H H 9 7.501 7.501 7.687 -0.186 19660 5248 1 20 . 1 1 10 10 THR N N 10 109.837 109.837 111.576 -1.739 19660 5249 1 20 . 1 1 10 10 THR HA H 10 5.220 5.220 4.753 0.467 19660 5250 1 20 . 1 1 10 10 THR CA C 10 60.357 60.357 60.480 -0.123 19660 5251 1 20 . 1 1 10 10 THR CB C 10 72.680 72.680 71.563 1.117 19660 5252 1 20 . 1 1 10 10 THR H H 10 8.115 8.115 8.009 0.106 19660 5253 1 20 . 1 1 11 11 GLU N N 11 121.356 121.356 121.816 -0.460 19660 5254 1 20 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.773 -0.147 19660 5255 1 20 . 1 1 11 11 GLU C C 11 174.150 174.150 175.238 -1.088 19660 5256 1 20 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.422 0.247 19660 5257 1 20 . 1 1 11 11 GLU CB C 11 33.344 33.344 32.909 0.435 19660 5258 1 20 . 1 1 11 11 GLU H H 11 9.133 9.133 9.200 -0.067 19660 5259 1 20 . 1 1 12 12 GLU N N 12 125.546 125.546 122.188 3.358 19660 5260 1 20 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.475 -0.009 19660 5261 1 20 . 1 1 12 12 GLU C C 12 176.388 176.388 175.898 0.490 19660 5262 1 20 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.953 -0.346 19660 5263 1 20 . 1 1 12 12 GLU CB C 12 29.840 29.840 30.300 -0.460 19660 5264 1 20 . 1 1 12 12 GLU H H 12 8.710 8.710 8.619 0.091 19660 5265 1 20 . 1 1 13 13 CYS N N 13 125.853 125.853 124.169 1.684 19660 5266 1 20 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.614 0.303 19660 5267 1 20 . 1 1 13 13 CYS CA C 13 52.626 52.626 59.381 -6.755 19660 5268 1 20 . 1 1 13 13 CYS CB C 13 37.284 37.284 26.829 10.455 19660 5269 1 20 . 1 1 13 13 CYS H H 13 8.840 8.840 8.323 0.517 19660 5270 1 20 . 1 1 14 14 ILE N N 14 127.700 127.700 123.508 4.192 19660 5271 1 20 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.420 -0.128 19660 5272 1 20 . 1 1 14 14 ILE CA C 14 60.386 60.386 59.632 0.754 19660 5273 1 20 . 1 1 14 14 ILE H H 14 8.387 8.387 8.483 -0.096 19660 5274 1 20 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.414 0.015 19660 5275 1 20 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.991 -0.204 19660 5276 1 20 . 1 1 15 15 PRO CB C 15 32.406 32.406 32.090 0.316 19660 5277 1 20 . 1 1 16 16 GLY N N 16 111.774 111.774 108.312 3.462 19660 5278 1 20 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.294 0.740 19660 5279 1 20 . 1 1 16 16 GLY H H 16 8.752 8.752 8.380 0.371 19660 5280 1 20 . 1 1 17 17 ILE N N 17 118.758 118.758 119.057 -0.299 19660 5281 1 20 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.088 -0.118 19660 5282 1 20 . 1 1 17 17 ILE CA C 17 62.088 62.088 59.920 2.168 19660 5283 1 20 . 1 1 17 17 ILE CB C 17 39.291 39.291 40.434 -1.143 19660 5284 1 20 . 1 1 17 17 ILE H H 17 7.527 7.527 7.189 0.338 19660 5285 1 20 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.336 0.364 19660 5286 1 20 . 1 1 18 18 TYR CA C 18 57.373 57.373 58.325 -0.952 19660 5287 1 20 . 1 1 18 18 TYR CB C 18 39.765 39.765 35.867 3.898 19660 5288 1 20 . 1 1 19 19 ASN N N 19 118.488 118.488 117.201 1.287 19660 5289 1 20 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.852 -0.104 19660 5290 1 20 . 1 1 19 19 ASN C C 19 174.728 174.728 174.738 -0.010 19660 5291 1 20 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.384 -0.588 19660 5292 1 20 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.219 -1.830 19660 5293 1 20 . 1 1 19 19 ASN H H 19 8.512 8.512 8.998 -0.486 19660 5294 1 20 . 1 1 20 20 VAL N N 20 114.324 114.324 116.741 -2.417 19660 5295 1 20 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.601 0.086 19660 5296 1 20 . 1 1 20 20 VAL C C 20 173.641 173.641 174.097 -0.456 19660 5297 1 20 . 1 1 20 20 VAL CA C 20 60.122 60.122 59.787 0.335 19660 5298 1 20 . 1 1 20 20 VAL CB C 20 36.941 36.941 34.053 2.888 19660 5299 1 20 . 1 1 20 20 VAL H H 20 8.064 8.064 8.119 -0.055 19660 5300 1 20 . 1 1 21 21 CYS N N 21 117.375 117.375 116.043 1.332 19660 5301 1 20 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.803 0.728 19660 5302 1 20 . 1 1 21 21 CYS C C 21 169.343 169.343 172.805 -3.462 19660 5303 1 20 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.405 -4.905 19660 5304 1 20 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.978 8.442 19660 5305 1 20 . 1 1 21 21 CYS H H 21 9.308 9.308 8.101 1.207 19660 5306 1 20 . 1 1 22 22 VAL N N 22 118.966 118.966 120.960 -1.994 19660 5307 1 20 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.499 0.980 19660 5308 1 20 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.679 -1.075 19660 5309 1 20 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.132 1.105 19660 5310 1 20 . 1 1 22 22 VAL H H 22 9.168 9.168 8.316 0.852 19660 5311 1 20 . 1 1 23 23 HIS N N 23 127.041 127.041 126.681 0.360 19660 5312 1 20 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.763 0.752 19660 5313 1 20 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.396 -0.158 19660 5314 1 20 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.469 2.933 19660 5315 1 20 . 1 1 23 23 HIS H H 23 9.214 9.214 8.552 0.662 19660 5316 1 20 . 1 1 24 24 TYR N N 24 132.376 132.376 129.621 2.755 19660 5317 1 20 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.494 0.129 19660 5318 1 20 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.146 -0.496 19660 5319 1 20 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.513 1.535 19660 5320 1 20 . 1 1 24 24 TYR H H 24 8.967 8.967 8.652 0.315 19660 5321 1 20 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.447 0.382 19660 5322 1 20 . 1 1 25 25 LYS C C 25 173.479 173.479 174.905 -1.426 19660 5323 1 20 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.476 0.772 19660 5324 1 20 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.340 1.929 19660 5325 1 20 . 1 1 25 25 LYS H H 25 8.028 8.028 8.216 -0.188 19660 5326 1 20 . 1 1 26 26 SER N N 26 125.633 125.633 121.306 4.327 19660 5327 1 20 . 1 1 26 26 SER HA H 26 4.959 4.959 4.712 0.247 19660 5328 1 20 . 1 1 26 26 SER C C 26 174.081 174.081 173.554 0.527 19660 5329 1 20 . 1 1 26 26 SER CA C 26 56.012 56.012 57.363 -1.351 19660 5330 1 20 . 1 1 26 26 SER CB C 26 66.581 66.581 66.123 0.458 19660 5331 1 20 . 1 1 26 26 SER H H 26 9.314 9.314 8.642 0.672 19660 5332 1 20 . 1 1 27 27 GLU N N 27 118.790 118.790 121.065 -2.275 19660 5333 1 20 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.130 -0.054 19660 5334 1 20 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.875 1.274 19660 5335 1 20 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.792 -0.280 19660 5336 1 20 . 1 1 27 27 GLU H H 27 8.848 8.848 8.599 0.249 19660 5337 1 20 . 1 1 28 28 ASP N N 28 114.555 114.555 119.995 -5.440 19660 5338 1 20 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.692 0.126 19660 5339 1 20 . 1 1 28 28 ASP C C 28 175.500 175.500 175.596 -0.096 19660 5340 1 20 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.930 -0.365 19660 5341 1 20 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.548 1.734 19660 5342 1 20 . 1 1 28 28 ASP H H 28 8.145 8.145 8.335 -0.190 19660 5343 1 20 . 1 1 29 29 GLU N N 29 119.483 119.483 117.798 1.685 19660 5344 1 20 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.592 0.193 19660 5345 1 20 . 1 1 29 29 GLU C C 29 173.282 173.282 173.951 -0.669 19660 5346 1 20 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.486 0.185 19660 5347 1 20 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.559 1.311 19660 5348 1 20 . 1 1 29 29 GLU H H 29 7.774 7.774 7.956 -0.182 19660 5349 1 20 . 1 1 30 30 GLU N N 30 122.376 122.376 121.319 1.057 19660 5350 1 20 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.843 0.640 19660 5351 1 20 . 1 1 30 30 GLU C C 30 174.486 174.486 174.686 -0.200 19660 5352 1 20 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.024 -0.972 19660 5353 1 20 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.106 0.747 19660 5354 1 20 . 1 1 30 30 GLU H H 30 8.419 8.419 8.612 -0.193 19660 5355 1 20 . 1 1 31 31 TYR N N 31 119.914 119.914 121.912 -1.998 19660 5356 1 20 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.968 0.022 19660 5357 1 20 . 1 1 31 31 TYR C C 31 173.240 173.240 173.011 0.229 19660 5358 1 20 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.323 1.035 19660 5359 1 20 . 1 1 31 31 TYR CB C 31 40.759 40.759 41.273 -0.514 19660 5360 1 20 . 1 1 31 31 TYR H H 31 9.089 9.089 8.547 0.542 19660 5361 1 20 . 1 1 32 32 LYS N N 32 121.363 121.363 120.702 0.661 19660 5362 1 20 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.899 0.557 19660 5363 1 20 . 1 1 32 32 LYS CA C 32 55.934 55.934 55.953 -0.019 19660 5364 1 20 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.490 1.852 19660 5365 1 20 . 1 1 32 32 LYS H H 32 8.643 8.643 8.472 0.171 19660 5366 1 20 . 1 1 33 33 SER N N 33 113.477 113.477 116.234 -2.757 19660 5367 1 20 . 1 1 33 33 SER HA H 33 4.599 4.599 4.578 0.021 19660 5368 1 20 . 1 1 33 33 SER C C 33 174.210 174.210 172.245 1.965 19660 5369 1 20 . 1 1 33 33 SER CA C 33 58.123 58.123 57.950 0.173 19660 5370 1 20 . 1 1 33 33 SER CB C 33 66.263 66.263 64.761 1.502 19660 5371 1 20 . 1 1 33 33 SER H H 33 8.151 8.151 8.234 -0.083 19660 5372 1 20 . 1 1 34 34 CYS N N 34 118.998 118.998 120.496 -1.498 19660 5373 1 20 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.569 0.725 19660 5374 1 20 . 1 1 34 34 CYS C C 34 175.636 175.636 173.203 2.433 19660 5375 1 20 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.339 -0.611 19660 5376 1 20 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.719 15.795 19660 5377 1 20 . 1 1 34 34 CYS H H 34 8.652 8.652 8.549 0.103 19660 5378 1 20 . 1 1 35 35 GLY N N 35 112.013 112.013 108.424 3.589 19660 5379 1 20 . 1 1 35 35 GLY CA C 35 45.922 45.922 46.029 -0.107 19660 5380 1 20 . 1 1 35 35 GLY H H 35 9.451 9.451 8.423 1.028 19660 5381 1 20 . 1 1 36 36 ILE N N 36 118.738 118.738 118.921 -0.183 19660 5382 1 20 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.717 0.134 19660 5383 1 20 . 1 1 36 36 ILE CA C 36 59.877 59.877 58.613 1.264 19660 5384 1 20 . 1 1 36 36 ILE H H 36 8.576 8.576 7.895 0.681 19660 5385 1 20 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.885 0.062 19660 5386 1 20 . 1 1 37 37 GLN CB C 37 28.265 28.265 27.683 0.582 19660 5387 1 20 . 1 1 38 38 GLU N N 38 117.838 117.838 116.897 0.941 19660 5388 1 20 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.122 -0.068 19660 5389 1 20 . 1 1 38 38 GLU C C 38 177.610 177.610 178.080 -0.470 19660 5390 1 20 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.022 0.810 19660 5391 1 20 . 1 1 38 38 GLU H H 38 9.140 9.140 8.750 0.390 19660 5392 1 20 . 1 1 39 39 GLU N N 39 117.727 117.727 117.398 0.329 19660 5393 1 20 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.365 -0.003 19660 5394 1 20 . 1 1 39 39 GLU C C 39 177.387 177.387 178.640 -1.253 19660 5395 1 20 . 1 1 39 39 GLU CA C 39 57.157 57.157 57.818 -0.661 19660 5396 1 20 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.090 -0.282 19660 5397 1 20 . 1 1 39 39 GLU H H 39 7.933 7.933 7.885 0.048 19660 5398 1 20 . 1 1 40 40 CYS N N 40 117.847 117.847 118.849 -1.002 19660 5399 1 20 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.448 -0.076 19660 5400 1 20 . 1 1 40 40 CYS C C 40 174.430 174.430 176.370 -1.940 19660 5401 1 20 . 1 1 40 40 CYS CA C 40 58.787 58.787 61.474 -2.688 19660 5402 1 20 . 1 1 40 40 CYS CB C 40 44.304 44.304 27.457 16.847 19660 5403 1 20 . 1 1 40 40 CYS H H 40 7.745 7.745 8.416 -0.671 19660 5404 1 20 . 1 1 41 41 GLU N N 41 120.521 120.521 120.077 0.444 19660 5405 1 20 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.254 0.084 19660 5406 1 20 . 1 1 41 41 GLU CA C 41 56.224 56.224 56.374 -0.150 19660 5407 1 20 . 1 1 41 41 GLU CB C 41 31.100 31.100 28.928 2.172 19660 5408 1 20 . 1 1 41 41 GLU H H 41 7.680 7.680 8.063 -0.383 19660 5409 1 20 . 1 1 42 42 ASP N N 42 121.236 121.236 118.681 2.555 19660 5410 1 20 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.418 0.174 19660 5411 1 20 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.372 -1.798 19660 5412 1 20 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.605 0.589 19660 5413 1 20 . 1 1 42 42 ASP H H 42 8.254 8.254 7.623 0.631 19660 5414 1 20 . 1 1 43 43 ALA N N 43 124.610 124.610 121.966 2.644 19660 5415 1 20 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.377 0.103 19660 5416 1 20 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.038 -0.052 19660 5417 1 20 . 1 1 43 43 ALA CB C 43 20.651 20.651 19.120 1.531 19660 5418 1 20 . 1 1 43 43 ALA H H 43 8.104 8.104 7.375 0.729 19660 5419 1 20 . 1 1 44 44 GLU N N 44 121.280 121.280 124.179 -2.899 19660 5420 1 20 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.210 0.017 19660 5421 1 20 . 1 1 44 44 GLU CA C 44 57.213 57.213 56.554 0.659 19660 5422 1 20 . 1 1 44 44 GLU H H 44 8.565 8.565 8.533 0.032 19660 5423 1 20 . 1 1 45 45 GLY N N 45 111.878 111.878 113.952 -2.074 19660 5424 1 20 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.739 1.058 19660 5425 1 20 . 1 1 45 45 GLY H H 45 8.749 8.749 8.748 0.001 19660 5426 1 20 . 1 1 46 46 ALA N N 46 122.249 122.249 123.312 -1.063 19660 5427 1 20 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.631 -0.075 19660 5428 1 20 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.773 -0.524 19660 5429 1 20 . 1 1 46 46 ALA CB C 46 21.348 21.348 19.893 1.455 19660 5430 1 20 . 1 1 46 46 ALA H H 46 7.818 7.818 7.801 0.017 19660 5431 1 20 . 1 1 47 47 THR N N 47 116.571 116.571 115.331 1.240 19660 5432 1 20 . 1 1 47 47 THR HA H 47 4.305 4.305 4.491 -0.186 19660 5433 1 20 . 1 1 47 47 THR CA C 47 61.924 61.924 61.727 0.197 19660 5434 1 20 . 1 1 47 47 THR H H 47 8.387 8.387 8.143 0.244 19660 5435 1 20 . 1 1 48 48 VAL N N 48 127.683 127.683 127.155 0.528 19660 5436 1 20 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.261 0.372 19660 5437 1 20 . 1 1 48 48 VAL CB C 48 34.335 34.335 31.939 2.396 19660 5438 1 20 . 1 1 48 48 VAL H H 48 8.695 8.695 8.702 -0.007 19660 5439 1 20 . 1 1 49 49 LEU N N 49 129.662 129.662 128.513 1.149 19660 5440 1 20 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.647 0.075 19660 5441 1 20 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.511 -0.701 19660 5442 1 20 . 1 1 49 49 LEU CB C 49 44.590 44.590 43.868 0.722 19660 5443 1 20 . 1 1 49 49 LEU H H 49 8.594 8.594 8.286 0.308 19660 5444 1 20 . 1 1 50 50 CYS N N 50 123.551 123.551 123.591 -0.040 19660 5445 1 20 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.760 0.979 19660 5446 1 20 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.553 -3.264 19660 5447 1 20 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.383 18.041 19660 5448 1 20 . 1 1 50 50 CYS H H 50 8.910 8.910 8.284 0.626 19660 5449 1 20 . 1 1 51 51 CYS N N 51 119.604 119.604 126.038 -6.434 19660 5450 1 20 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.859 0.510 19660 5451 1 20 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.709 -4.110 19660 5452 1 20 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.723 17.782 19660 5453 1 20 . 1 1 51 51 CYS H H 51 9.281 9.281 8.978 0.303 19660 5454 1 20 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.282 0.696 19660 5455 1 20 . 1 1 52 52 PRO C C 52 175.082 175.082 176.670 -1.588 19660 5456 1 20 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.813 0.621 19660 5457 1 20 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.245 0.189 19660 5458 1 20 . 1 1 53 53 GLU N N 53 121.348 121.348 118.731 2.617 19660 5459 1 20 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.451 0.100 19660 5460 1 20 . 1 1 53 53 GLU C C 53 174.317 174.317 175.295 -0.978 19660 5461 1 20 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.195 0.510 19660 5462 1 20 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.783 1.292 19660 5463 1 20 . 1 1 53 53 GLU H H 53 7.232 7.232 7.815 -0.583 19660 5464 1 20 . 1 1 54 54 ASP N N 54 118.893 118.893 118.545 0.348 19660 5465 1 20 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.504 0.366 19660 5466 1 20 . 1 1 54 54 ASP C C 54 177.950 177.950 176.288 1.662 19660 5467 1 20 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.344 2.206 19660 5468 1 20 . 1 1 54 54 ASP CB C 54 41.587 41.587 42.193 -0.606 19660 5469 1 20 . 1 1 54 54 ASP H H 54 8.230 8.230 8.342 -0.112 19660 5470 1 20 . 1 1 55 55 LEU N N 55 113.945 113.945 119.121 -5.176 19660 5471 1 20 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.840 -0.150 19660 5472 1 20 . 1 1 55 55 LEU C C 55 176.734 176.734 176.563 0.171 19660 5473 1 20 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.316 0.331 19660 5474 1 20 . 1 1 55 55 LEU CB C 55 37.694 37.694 38.964 -1.270 19660 5475 1 20 . 1 1 55 55 LEU H H 55 9.462 9.462 8.928 0.534 19660 5476 1 20 . 1 1 56 56 CYS N N 56 112.784 112.784 118.775 -5.991 19660 5477 1 20 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.420 0.094 19660 5478 1 20 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.074 -1.153 19660 5479 1 20 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.748 18.980 19660 5480 1 20 . 1 1 56 56 CYS H H 56 7.647 7.647 9.034 -1.387 19660 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 50 2.797 -0.062 2.825 19660 2 1 1 "Average Difference" HA 60 0.357 -0.176 0.314 19660 3 1 1 "Average Difference" C 26 1.284 0.269 1.281 19660 4 1 1 "Average Difference" CA 53 1.887 0.558 1.820 19660 5 1 1 "Average Difference" CB 44 6.442 -2.940 5.798 19660 6 1 1 "Average Difference" HN 51 0.517 -0.139 0.503 19660 7 1 2 "Average Difference" N 50 2.869 0.232 2.889 19660 8 1 2 "Average Difference" HA 60 0.357 -0.162 0.321 19660 9 1 2 "Average Difference" C 26 1.296 0.263 1.294 19660 10 1 2 "Average Difference" CA 53 1.791 0.534 1.726 19660 11 1 2 "Average Difference" CB 44 6.419 -2.943 5.770 19660 12 1 2 "Average Difference" HN 51 0.495 -0.123 0.484 19660 13 1 3 "Average Difference" N 50 2.741 0.269 2.755 19660 14 1 3 "Average Difference" HA 60 0.356 -0.172 0.315 19660 15 1 3 "Average Difference" C 26 1.252 0.239 1.253 19660 16 1 3 "Average Difference" CA 53 1.900 0.579 1.827 19660 17 1 3 "Average Difference" CB 44 6.457 -2.958 5.806 19660 18 1 3 "Average Difference" HN 51 0.513 -0.145 0.498 19660 19 1 4 "Average Difference" N 50 2.719 0.315 2.728 19660 20 1 4 "Average Difference" HA 60 0.362 -0.189 0.311 19660 21 1 4 "Average Difference" C 26 1.201 0.245 1.199 19660 22 1 4 "Average Difference" CA 53 1.870 0.587 1.792 19660 23 1 4 "Average Difference" CB 44 6.416 -2.954 5.761 19660 24 1 4 "Average Difference" HN 51 0.528 -0.130 0.517 19660 25 1 5 "Average Difference" N 50 2.700 0.261 2.715 19660 26 1 5 "Average Difference" HA 60 0.355 -0.177 0.310 19660 27 1 5 "Average Difference" C 26 1.233 0.251 1.231 19660 28 1 5 "Average Difference" CA 53 1.891 0.623 1.803 19660 29 1 5 "Average Difference" CB 44 6.432 -2.999 5.756 19660 30 1 5 "Average Difference" HN 51 0.490 -0.117 0.480 19660 31 1 6 "Average Difference" N 50 2.855 0.314 2.867 19660 32 1 6 "Average Difference" HA 60 0.355 -0.178 0.310 19660 33 1 6 "Average Difference" C 26 1.230 0.174 1.242 19660 34 1 6 "Average Difference" CA 53 1.860 0.545 1.796 19660 35 1 6 "Average Difference" CB 44 6.393 -2.977 5.723 19660 36 1 6 "Average Difference" HN 51 0.477 -0.145 0.459 19660 37 1 7 "Average Difference" N 50 2.640 0.198 2.660 19660 38 1 7 "Average Difference" HA 60 0.358 -0.180 0.312 19660 39 1 7 "Average Difference" C 26 1.323 0.224 1.330 19660 40 1 7 "Average Difference" CA 53 1.838 0.480 1.792 19660 41 1 7 "Average Difference" CB 44 6.370 -2.964 5.703 19660 42 1 7 "Average Difference" HN 51 0.515 -0.140 0.500 19660 43 1 8 "Average Difference" N 50 2.872 0.134 2.898 19660 44 1 8 "Average Difference" HA 60 0.358 -0.177 0.314 19660 45 1 8 "Average Difference" C 26 1.227 0.186 1.237 19660 46 1 8 "Average Difference" CA 53 1.836 0.559 1.766 19660 47 1 8 "Average Difference" CB 44 6.345 -2.859 5.729 19660 48 1 8 "Average Difference" HN 51 0.489 -0.138 0.474 19660 49 1 9 "Average Difference" N 50 2.659 0.248 2.674 19660 50 1 9 "Average Difference" HA 60 0.359 -0.191 0.307 19660 51 1 9 "Average Difference" C 26 1.253 0.236 1.255 19660 52 1 9 "Average Difference" CA 53 1.887 0.553 1.822 19660 53 1 9 "Average Difference" CB 44 6.458 -3.016 5.777 19660 54 1 9 "Average Difference" HN 51 0.504 -0.109 0.497 19660 55 1 10 "Average Difference" N 50 2.810 0.111 2.836 19660 56 1 10 "Average Difference" HA 60 0.358 -0.180 0.312 19660 57 1 10 "Average Difference" C 26 1.263 0.252 1.262 19660 58 1 10 "Average Difference" CA 53 1.922 0.608 1.841 19660 59 1 10 "Average Difference" CB 44 6.405 -2.918 5.768 19660 60 1 10 "Average Difference" HN 51 0.520 -0.150 0.503 19660 61 1 11 "Average Difference" N 50 2.735 0.240 2.752 19660 62 1 11 "Average Difference" HA 60 0.354 -0.175 0.311 19660 63 1 11 "Average Difference" C 26 1.271 0.198 1.280 19660 64 1 11 "Average Difference" CA 53 1.792 0.534 1.727 19660 65 1 11 "Average Difference" CB 44 6.407 -2.978 5.739 19660 66 1 11 "Average Difference" HN 51 0.509 -0.144 0.493 19660 67 1 12 "Average Difference" N 50 2.836 0.045 2.864 19660 68 1 12 "Average Difference" HA 60 0.356 -0.177 0.311 19660 69 1 12 "Average Difference" C 26 1.255 0.223 1.260 19660 70 1 12 "Average Difference" CA 53 1.794 0.526 1.731 19660 71 1 12 "Average Difference" CB 44 6.418 -2.948 5.767 19660 72 1 12 "Average Difference" HN 51 0.475 -0.131 0.461 19660 73 1 13 "Average Difference" N 50 2.862 0.260 2.880 19660 74 1 13 "Average Difference" HA 60 0.359 -0.181 0.312 19660 75 1 13 "Average Difference" C 26 1.192 0.169 1.203 19660 76 1 13 "Average Difference" CA 53 1.819 0.515 1.762 19660 77 1 13 "Average Difference" CB 44 6.335 -2.923 5.686 19660 78 1 13 "Average Difference" HN 51 0.480 -0.120 0.469 19660 79 1 14 "Average Difference" N 50 2.589 0.274 2.601 19660 80 1 14 "Average Difference" HA 60 0.364 -0.180 0.319 19660 81 1 14 "Average Difference" C 26 1.225 0.170 1.237 19660 82 1 14 "Average Difference" CA 53 1.858 0.553 1.791 19660 83 1 14 "Average Difference" CB 44 6.419 -2.930 5.777 19660 84 1 14 "Average Difference" HN 51 0.490 -0.136 0.476 19660 85 1 15 "Average Difference" N 50 2.689 0.282 2.701 19660 86 1 15 "Average Difference" HA 60 0.359 -0.177 0.315 19660 87 1 15 "Average Difference" C 26 1.276 0.263 1.273 19660 88 1 15 "Average Difference" CA 53 1.884 0.518 1.828 19660 89 1 15 "Average Difference" CB 44 6.407 -2.988 5.733 19660 90 1 15 "Average Difference" HN 51 0.492 -0.128 0.480 19660 91 1 16 "Average Difference" N 50 2.873 0.318 2.884 19660 92 1 16 "Average Difference" HA 60 0.368 -0.174 0.327 19660 93 1 16 "Average Difference" C 26 1.219 0.184 1.229 19660 94 1 16 "Average Difference" CA 53 1.835 0.482 1.788 19660 95 1 16 "Average Difference" CB 44 6.284 -2.852 5.664 19660 96 1 16 "Average Difference" HN 51 0.489 -0.145 0.472 19660 97 1 17 "Average Difference" N 50 2.823 0.234 2.842 19660 98 1 17 "Average Difference" HA 60 0.361 -0.185 0.313 19660 99 1 17 "Average Difference" C 26 1.201 0.187 1.209 19660 100 1 17 "Average Difference" CA 53 1.831 0.537 1.768 19660 101 1 17 "Average Difference" CB 44 6.385 -2.982 5.711 19660 102 1 17 "Average Difference" HN 51 0.482 -0.134 0.468 19660 103 1 18 "Average Difference" N 50 2.690 0.297 2.701 19660 104 1 18 "Average Difference" HA 60 0.365 -0.183 0.319 19660 105 1 18 "Average Difference" C 26 1.248 0.225 1.252 19660 106 1 18 "Average Difference" CA 53 1.875 0.489 1.828 19660 107 1 18 "Average Difference" CB 44 6.442 -3.046 5.742 19660 108 1 18 "Average Difference" HN 51 0.483 -0.135 0.469 19660 109 1 19 "Average Difference" N 50 2.764 -0.048 2.792 19660 110 1 19 "Average Difference" HA 60 0.365 -0.194 0.312 19660 111 1 19 "Average Difference" C 26 1.240 0.141 1.257 19660 112 1 19 "Average Difference" CA 53 1.843 0.555 1.775 19660 113 1 19 "Average Difference" CB 44 6.290 -2.862 5.665 19660 114 1 19 "Average Difference" HN 51 0.487 -0.143 0.470 19660 115 1 20 "Average Difference" N 50 2.648 -0.001 2.674 19660 116 1 20 "Average Difference" HA 60 0.362 -0.186 0.313 19660 117 1 20 "Average Difference" C 26 1.235 0.219 1.240 19660 118 1 20 "Average Difference" CA 53 1.797 0.455 1.755 19660 119 1 20 "Average Difference" CB 44 6.398 -2.998 5.717 19660 120 1 20 "Average Difference" HN 51 0.485 -0.142 0.469 19660 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 19660 _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 GLN N N 2 125.663 125.663 119.797 5.866 19660 2 1 . 1 1 2 2 GLN HA H 2 5.398 5.398 5.077 0.321 19660 3 1 . 1 1 2 2 GLN C C 2 174.668 174.668 174.809 -0.141 19660 4 1 . 1 1 2 2 GLN CA C 2 53.772 53.772 54.916 -1.144 19660 5 1 . 1 1 2 2 GLN CB C 2 32.023 32.023 33.093 -1.070 19660 6 1 . 1 1 2 2 GLN H H 2 8.383 8.383 8.445 -0.062 19660 7 1 . 1 1 3 3 CYS N N 3 118.829 118.829 120.115 -1.286 19660 8 1 . 1 1 3 3 CYS HA H 3 5.146 5.146 5.114 0.032 19660 9 1 . 1 1 3 3 CYS C C 3 174.118 174.118 174.079 0.038 19660 10 1 . 1 1 3 3 CYS CA C 3 51.967 51.967 57.858 -5.891 19660 11 1 . 1 1 3 3 CYS H H 3 9.023 9.023 9.277 -0.254 19660 12 1 . 1 1 4 4 ASN N N 4 119.446 119.446 120.843 -1.397 19660 13 1 . 1 1 4 4 ASN HA H 4 5.032 5.032 4.999 0.033 19660 14 1 . 1 1 4 4 ASN CA C 4 54.360 54.360 53.899 0.461 19660 15 1 . 1 1 4 4 ASN CB C 4 39.627 39.627 40.004 -0.377 19660 16 1 . 1 1 4 4 ASN H H 4 9.225 9.225 8.660 0.565 19660 17 1 . 1 1 5 5 THR N N 5 109.185 109.185 109.488 -0.303 19660 18 1 . 1 1 5 5 THR HA H 5 4.934 4.934 4.841 0.093 19660 19 1 . 1 1 5 5 THR C C 5 176.984 176.984 176.182 0.802 19660 20 1 . 1 1 5 5 THR CA C 5 60.188 60.188 59.644 0.544 19660 21 1 . 1 1 5 5 THR CB C 5 70.286 70.286 72.493 -2.207 19660 22 1 . 1 1 5 5 THR H H 5 7.823 7.823 8.186 -0.363 19660 23 1 . 1 1 6 6 LEU N N 6 123.023 123.023 120.207 2.816 19660 24 1 . 1 1 6 6 LEU HA H 6 3.973 3.973 4.315 -0.342 19660 25 1 . 1 1 6 6 LEU CA C 6 57.624 57.624 57.496 0.128 19660 26 1 . 1 1 6 6 LEU CB C 6 42.892 42.892 41.777 1.115 19660 27 1 . 1 1 6 6 LEU H H 6 8.958 8.958 8.793 0.165 19660 28 1 . 1 1 7 7 ASP N N 7 115.117 115.117 118.521 -3.404 19660 29 1 . 1 1 7 7 ASP HA H 7 4.534 4.534 4.553 -0.019 19660 30 1 . 1 1 7 7 ASP C C 7 176.415 176.415 177.071 -0.657 19660 31 1 . 1 1 7 7 ASP CA C 7 53.740 53.740 54.250 -0.510 19660 32 1 . 1 1 7 7 ASP CB C 7 40.155 40.155 40.698 -0.543 19660 33 1 . 1 1 7 7 ASP H H 7 8.258 8.258 7.863 0.395 19660 34 1 . 1 1 8 8 GLY N N 8 106.811 106.811 106.326 0.485 19660 35 1 . 1 1 8 8 GLY C C 8 174.831 174.831 174.883 -0.052 19660 36 1 . 1 1 8 8 GLY CA C 8 45.409 45.409 45.025 0.384 19660 37 1 . 1 1 8 8 GLY H H 8 7.669 7.669 7.807 -0.138 19660 38 1 . 1 1 9 9 GLY N N 9 109.185 109.185 108.628 0.558 19660 39 1 . 1 1 9 9 GLY C C 9 173.522 173.522 172.869 0.653 19660 40 1 . 1 1 9 9 GLY CA C 9 44.078 44.078 44.219 -0.142 19660 41 1 . 1 1 9 9 GLY H H 9 7.501 7.501 7.800 -0.299 19660 42 1 . 1 1 10 10 THR N N 10 109.837 109.837 111.436 -1.599 19660 43 1 . 1 1 10 10 THR HA H 10 5.220 5.220 4.768 0.452 19660 44 1 . 1 1 10 10 THR CA C 10 60.357 60.357 60.635 -0.278 19660 45 1 . 1 1 10 10 THR CB C 10 72.680 72.680 71.222 1.458 19660 46 1 . 1 1 10 10 THR H H 10 8.115 8.115 8.016 0.099 19660 47 1 . 1 1 11 11 GLU N N 11 121.356 121.356 122.753 -1.397 19660 48 1 . 1 1 11 11 GLU HA H 11 4.626 4.626 4.758 -0.132 19660 49 1 . 1 1 11 11 GLU C C 11 174.150 174.150 175.333 -1.183 19660 50 1 . 1 1 11 11 GLU CA C 11 54.669 54.669 54.385 0.284 19660 51 1 . 1 1 11 11 GLU CB C 11 33.344 33.344 33.284 0.060 19660 52 1 . 1 1 11 11 GLU H H 11 9.133 9.133 9.190 -0.057 19660 53 1 . 1 1 12 12 GLU N N 12 125.546 125.546 121.554 3.992 19660 54 1 . 1 1 12 12 GLU HA H 12 4.466 4.466 4.562 -0.096 19660 55 1 . 1 1 12 12 GLU C C 12 176.388 176.388 175.937 0.451 19660 56 1 . 1 1 12 12 GLU CA C 12 55.607 55.607 55.559 0.048 19660 57 1 . 1 1 12 12 GLU CB C 12 29.840 29.840 29.833 0.007 19660 58 1 . 1 1 12 12 GLU H H 12 8.710 8.710 8.608 0.102 19660 59 1 . 1 1 13 13 CYS N N 13 125.853 125.853 124.931 0.922 19660 60 1 . 1 1 13 13 CYS HA H 13 4.917 4.917 4.794 0.123 19660 61 1 . 1 1 13 13 CYS CA C 13 52.626 52.626 58.974 -6.348 19660 62 1 . 1 1 13 13 CYS CB C 13 37.284 37.284 27.061 10.223 19660 63 1 . 1 1 13 13 CYS H H 13 8.840 8.840 8.461 0.379 19660 64 1 . 1 1 14 14 ILE N N 14 127.700 127.700 124.528 3.172 19660 65 1 . 1 1 14 14 ILE HA H 14 4.292 4.292 4.443 -0.151 19660 66 1 . 1 1 14 14 ILE CA C 14 60.386 60.386 58.928 1.458 19660 67 1 . 1 1 14 14 ILE H H 14 8.387 8.387 8.526 -0.139 19660 68 1 . 1 1 15 15 PRO HA H 15 4.429 4.429 4.392 0.037 19660 69 1 . 1 1 15 15 PRO CA C 15 63.787 63.787 63.777 0.010 19660 70 1 . 1 1 15 15 PRO CB C 15 32.406 32.406 30.950 1.456 19660 71 1 . 1 1 16 16 GLY N N 16 111.774 111.774 109.895 1.879 19660 72 1 . 1 1 16 16 GLY CA C 16 46.034 46.034 45.383 0.651 19660 73 1 . 1 1 16 16 GLY H H 16 8.752 8.752 8.358 0.393 19660 74 1 . 1 1 17 17 ILE N N 17 118.758 118.758 120.154 -1.396 19660 75 1 . 1 1 17 17 ILE HA H 17 3.970 3.970 4.019 -0.049 19660 76 1 . 1 1 17 17 ILE CA C 17 62.088 62.088 61.875 0.213 19660 77 1 . 1 1 17 17 ILE CB C 17 39.291 39.291 38.816 0.475 19660 78 1 . 1 1 17 17 ILE H H 17 7.527 7.527 7.435 0.092 19660 79 1 . 1 1 18 18 TYR HA H 18 4.700 4.700 4.771 -0.071 19660 80 1 . 1 1 18 18 TYR CA C 18 57.373 57.373 56.374 0.999 19660 81 1 . 1 1 18 18 TYR CB C 18 39.765 39.765 37.838 1.927 19660 82 1 . 1 1 19 19 ASN N N 19 118.488 118.488 120.869 -2.381 19660 83 1 . 1 1 19 19 ASN HA H 19 4.748 4.748 4.868 -0.120 19660 84 1 . 1 1 19 19 ASN C C 19 174.728 174.728 174.916 -0.188 19660 85 1 . 1 1 19 19 ASN CA C 19 52.796 52.796 53.422 -0.626 19660 86 1 . 1 1 19 19 ASN CB C 19 39.389 39.389 41.149 -1.760 19660 87 1 . 1 1 19 19 ASN H H 19 8.512 8.512 9.005 -0.493 19660 88 1 . 1 1 20 20 VAL N N 20 114.324 114.324 115.492 -1.168 19660 89 1 . 1 1 20 20 VAL HA H 20 4.687 4.687 4.627 0.060 19660 90 1 . 1 1 20 20 VAL C C 20 173.641 173.641 174.028 -0.387 19660 91 1 . 1 1 20 20 VAL CA C 20 60.122 60.122 60.104 0.018 19660 92 1 . 1 1 20 20 VAL CB C 20 36.941 36.941 35.058 1.883 19660 93 1 . 1 1 20 20 VAL H H 20 8.064 8.064 8.006 0.058 19660 94 1 . 1 1 21 21 CYS N N 21 117.375 117.375 116.421 0.954 19660 95 1 . 1 1 21 21 CYS HA H 21 5.531 5.531 4.832 0.699 19660 96 1 . 1 1 21 21 CYS C C 21 169.343 169.343 172.741 -3.398 19660 97 1 . 1 1 21 21 CYS CA C 21 52.500 52.500 57.807 -5.307 19660 98 1 . 1 1 21 21 CYS CB C 21 38.420 38.420 29.699 8.721 19660 99 1 . 1 1 21 21 CYS H H 21 9.308 9.308 8.243 1.065 19660 100 1 . 1 1 22 22 VAL N N 22 118.966 118.966 120.829 -1.863 19660 101 1 . 1 1 22 22 VAL HA H 22 5.479 5.479 4.466 1.013 19660 102 1 . 1 1 22 22 VAL CA C 22 60.604 60.604 61.308 -0.704 19660 103 1 . 1 1 22 22 VAL CB C 22 36.237 36.237 35.215 1.022 19660 104 1 . 1 1 22 22 VAL H H 22 9.168 9.168 8.169 0.999 19660 105 1 . 1 1 23 23 HIS N N 23 127.041 127.041 126.304 0.737 19660 106 1 . 1 1 23 23 HIS HA H 23 5.515 5.515 4.766 0.749 19660 107 1 . 1 1 23 23 HIS CA C 23 54.238 54.238 54.445 -0.208 19660 108 1 . 1 1 23 23 HIS CB C 23 34.402 34.402 31.682 2.720 19660 109 1 . 1 1 23 23 HIS H H 23 9.214 9.214 8.518 0.696 19660 110 1 . 1 1 24 24 TYR N N 24 132.376 132.376 129.604 2.772 19660 111 1 . 1 1 24 24 TYR HA H 24 4.623 4.623 4.460 0.163 19660 112 1 . 1 1 24 24 TYR CA C 24 56.650 56.650 57.093 -0.443 19660 113 1 . 1 1 24 24 TYR CB C 24 41.048 41.048 39.477 1.571 19660 114 1 . 1 1 24 24 TYR H H 24 8.967 8.967 8.811 0.156 19660 115 1 . 1 1 25 25 LYS HA H 25 4.829 4.829 4.436 0.393 19660 116 1 . 1 1 25 25 LYS C C 25 173.479 173.479 174.831 -1.352 19660 117 1 . 1 1 25 25 LYS CA C 25 56.248 56.248 55.297 0.951 19660 118 1 . 1 1 25 25 LYS CB C 25 36.269 36.269 34.282 1.987 19660 119 1 . 1 1 25 25 LYS H H 25 8.028 8.028 8.159 -0.131 19660 120 1 . 1 1 26 26 SER N N 26 125.633 125.633 121.206 4.427 19660 121 1 . 1 1 26 26 SER HA H 26 4.959 4.959 4.711 0.248 19660 122 1 . 1 1 26 26 SER C C 26 174.081 174.081 173.689 0.392 19660 123 1 . 1 1 26 26 SER CA C 26 56.012 56.012 57.288 -1.276 19660 124 1 . 1 1 26 26 SER CB C 26 66.581 66.581 65.940 0.641 19660 125 1 . 1 1 26 26 SER H H 26 9.314 9.314 8.598 0.716 19660 126 1 . 1 1 27 27 GLU N N 27 118.790 118.790 121.084 -2.294 19660 127 1 . 1 1 27 27 GLU HA H 27 4.076 4.076 4.178 -0.102 19660 128 1 . 1 1 27 27 GLU CA C 27 59.149 59.149 57.970 1.179 19660 129 1 . 1 1 27 27 GLU CB C 27 29.512 29.512 29.825 -0.313 19660 130 1 . 1 1 27 27 GLU H H 27 8.848 8.848 8.630 0.218 19660 131 1 . 1 1 28 28 ASP N N 28 114.555 114.555 119.544 -4.989 19660 132 1 . 1 1 28 28 ASP HA H 28 4.818 4.818 4.684 0.134 19660 133 1 . 1 1 28 28 ASP C C 28 175.500 175.500 175.505 -0.005 19660 134 1 . 1 1 28 28 ASP CA C 28 54.565 54.565 54.945 -0.380 19660 135 1 . 1 1 28 28 ASP CB C 28 43.282 43.282 41.569 1.713 19660 136 1 . 1 1 28 28 ASP H H 28 8.145 8.145 8.283 -0.138 19660 137 1 . 1 1 29 29 GLU N N 29 119.483 119.483 117.563 1.920 19660 138 1 . 1 1 29 29 GLU HA H 29 4.785 4.785 4.595 0.190 19660 139 1 . 1 1 29 29 GLU C C 29 173.282 173.282 174.021 -0.739 19660 140 1 . 1 1 29 29 GLU CA C 29 55.671 55.671 55.488 0.183 19660 141 1 . 1 1 29 29 GLU CB C 29 33.870 33.870 32.686 1.184 19660 142 1 . 1 1 29 29 GLU H H 29 7.774 7.774 7.934 -0.160 19660 143 1 . 1 1 30 30 GLU N N 30 122.376 122.376 121.079 1.297 19660 144 1 . 1 1 30 30 GLU HA H 30 5.483 5.483 4.904 0.579 19660 145 1 . 1 1 30 30 GLU C C 30 174.486 174.486 174.601 -0.115 19660 146 1 . 1 1 30 30 GLU CA C 30 55.052 55.052 56.087 -1.036 19660 147 1 . 1 1 30 30 GLU CB C 30 32.853 32.853 32.330 0.523 19660 148 1 . 1 1 30 30 GLU H H 30 8.419 8.419 8.621 -0.202 19660 149 1 . 1 1 31 31 TYR N N 31 119.914 119.914 121.624 -1.710 19660 150 1 . 1 1 31 31 TYR HA H 31 4.990 4.990 4.980 0.010 19660 151 1 . 1 1 31 31 TYR C C 31 173.240 173.240 172.890 0.350 19660 152 1 . 1 1 31 31 TYR CA C 31 57.358 57.358 56.504 0.854 19660 153 1 . 1 1 31 31 TYR CB C 31 40.759 40.759 40.859 -0.100 19660 154 1 . 1 1 31 31 TYR H H 31 9.089 9.089 8.682 0.407 19660 155 1 . 1 1 32 32 LYS N N 32 121.363 121.363 120.395 0.968 19660 156 1 . 1 1 32 32 LYS HA H 32 5.456 5.456 4.849 0.607 19660 157 1 . 1 1 32 32 LYS CA C 32 55.934 55.934 56.078 -0.144 19660 158 1 . 1 1 32 32 LYS CB C 32 37.342 37.342 35.773 1.570 19660 159 1 . 1 1 32 32 LYS H H 32 8.643 8.643 8.518 0.125 19660 160 1 . 1 1 33 33 SER N N 33 113.477 113.477 117.214 -3.737 19660 161 1 . 1 1 33 33 SER HA H 33 4.599 4.599 4.725 -0.126 19660 162 1 . 1 1 33 33 SER C C 33 174.210 174.210 172.439 1.771 19660 163 1 . 1 1 33 33 SER CA C 33 58.123 58.123 58.297 -0.174 19660 164 1 . 1 1 33 33 SER CB C 33 66.263 66.263 65.260 1.003 19660 165 1 . 1 1 33 33 SER H H 33 8.151 8.151 8.162 -0.011 19660 166 1 . 1 1 34 34 CYS N N 34 118.998 118.998 121.807 -2.809 19660 167 1 . 1 1 34 34 CYS HA H 34 5.294 5.294 4.617 0.677 19660 168 1 . 1 1 34 34 CYS C C 34 175.636 175.636 173.276 2.360 19660 169 1 . 1 1 34 34 CYS CA C 34 58.728 58.728 59.220 -0.491 19660 170 1 . 1 1 34 34 CYS CB C 34 45.514 45.514 29.998 15.516 19660 171 1 . 1 1 34 34 CYS H H 34 8.652 8.652 8.588 0.064 19660 172 1 . 1 1 35 35 GLY N N 35 112.013 112.013 108.215 3.798 19660 173 1 . 1 1 35 35 GLY CA C 35 45.922 45.922 46.011 -0.089 19660 174 1 . 1 1 35 35 GLY H H 35 9.451 9.451 8.452 0.999 19660 175 1 . 1 1 36 36 ILE N N 36 118.738 118.738 119.717 -0.979 19660 176 1 . 1 1 36 36 ILE HA H 36 4.851 4.851 4.698 0.153 19660 177 1 . 1 1 36 36 ILE CA C 36 59.877 59.877 59.064 0.813 19660 178 1 . 1 1 36 36 ILE H H 36 8.576 8.576 7.914 0.662 19660 179 1 . 1 1 37 37 GLN HA H 37 3.947 3.947 3.863 0.084 19660 180 1 . 1 1 37 37 GLN CB C 37 28.265 28.265 28.178 0.087 19660 181 1 . 1 1 38 38 GLU N N 38 117.838 117.838 117.233 0.605 19660 182 1 . 1 1 38 38 GLU HA H 38 4.054 4.054 4.074 -0.020 19660 183 1 . 1 1 38 38 GLU C C 38 177.610 177.610 177.747 -0.137 19660 184 1 . 1 1 38 38 GLU CA C 38 59.831 59.831 59.164 0.668 19660 185 1 . 1 1 38 38 GLU H H 38 9.140 9.140 8.685 0.455 19660 186 1 . 1 1 39 39 GLU N N 39 117.727 117.727 117.782 -0.055 19660 187 1 . 1 1 39 39 GLU HA H 39 4.362 4.362 4.321 0.041 19660 188 1 . 1 1 39 39 GLU C C 39 177.387 177.387 178.722 -1.335 19660 189 1 . 1 1 39 39 GLU CA C 39 57.157 57.157 58.230 -1.073 19660 190 1 . 1 1 39 39 GLU CB C 39 29.808 29.808 30.159 -0.351 19660 191 1 . 1 1 39 39 GLU H H 39 7.933 7.933 7.880 0.053 19660 192 1 . 1 1 40 40 CYS N N 40 117.847 117.847 119.796 -1.949 19660 193 1 . 1 1 40 40 CYS HA H 40 4.372 4.372 4.292 0.080 19660 194 1 . 1 1 40 40 CYS C C 40 174.430 174.430 176.798 -2.368 19660 195 1 . 1 1 40 40 CYS CA C 40 58.787 58.787 62.633 -3.846 19660 196 1 . 1 1 40 40 CYS CB C 40 44.304 44.304 26.533 17.771 19660 197 1 . 1 1 40 40 CYS H H 40 7.745 7.745 8.618 -0.873 19660 198 1 . 1 1 41 41 GLU N N 41 120.521 120.521 120.028 0.493 19660 199 1 . 1 1 41 41 GLU HA H 41 4.338 4.338 4.067 0.271 19660 200 1 . 1 1 41 41 GLU CA C 41 56.224 56.224 58.404 -2.180 19660 201 1 . 1 1 41 41 GLU CB C 41 31.100 31.100 29.276 1.824 19660 202 1 . 1 1 41 41 GLU H H 41 7.680 7.680 8.148 -0.468 19660 203 1 . 1 1 42 42 ASP N N 42 121.236 121.236 119.179 2.057 19660 204 1 . 1 1 42 42 ASP HA H 42 4.592 4.592 4.392 0.200 19660 205 1 . 1 1 42 42 ASP CA C 42 54.574 54.574 56.124 -1.550 19660 206 1 . 1 1 42 42 ASP CB C 42 41.194 41.194 40.823 0.371 19660 207 1 . 1 1 42 42 ASP H H 42 8.254 8.254 7.708 0.546 19660 208 1 . 1 1 43 43 ALA N N 43 124.610 124.610 122.708 1.902 19660 209 1 . 1 1 43 43 ALA HA H 43 4.480 4.480 4.294 0.186 19660 210 1 . 1 1 43 43 ALA CA C 43 51.986 51.986 52.091 -0.105 19660 211 1 . 1 1 43 43 ALA CB C 43 20.651 20.651 18.517 2.134 19660 212 1 . 1 1 43 43 ALA H H 43 8.104 8.104 7.426 0.678 19660 213 1 . 1 1 44 44 GLU N N 44 121.280 121.280 124.176 -2.896 19660 214 1 . 1 1 44 44 GLU HA H 44 4.227 4.227 4.208 0.019 19660 215 1 . 1 1 44 44 GLU CA C 44 57.213 57.213 57.044 0.169 19660 216 1 . 1 1 44 44 GLU H H 44 8.565 8.565 8.098 0.467 19660 217 1 . 1 1 45 45 GLY N N 45 111.878 111.878 113.034 -1.156 19660 218 1 . 1 1 45 45 GLY CA C 45 45.797 45.797 44.829 0.968 19660 219 1 . 1 1 45 45 GLY H H 45 8.749 8.749 8.866 -0.117 19660 220 1 . 1 1 46 46 ALA N N 46 122.249 122.249 124.119 -1.870 19660 221 1 . 1 1 46 46 ALA HA H 46 4.556 4.556 4.622 -0.066 19660 222 1 . 1 1 46 46 ALA CA C 46 51.249 51.249 51.683 -0.434 19660 223 1 . 1 1 46 46 ALA CB C 46 21.348 21.348 20.317 1.031 19660 224 1 . 1 1 46 46 ALA H H 46 7.818 7.818 7.740 0.078 19660 225 1 . 1 1 47 47 THR N N 47 116.571 116.571 115.725 0.846 19660 226 1 . 1 1 47 47 THR HA H 47 4.305 4.305 4.467 -0.162 19660 227 1 . 1 1 47 47 THR CA C 47 61.924 61.924 61.612 0.312 19660 228 1 . 1 1 47 47 THR H H 47 8.387 8.387 8.208 0.179 19660 229 1 . 1 1 48 48 VAL N N 48 127.683 127.683 126.205 1.478 19660 230 1 . 1 1 48 48 VAL HA H 48 4.633 4.633 4.287 0.346 19660 231 1 . 1 1 48 48 VAL CB C 48 34.335 34.335 32.337 1.998 19660 232 1 . 1 1 48 48 VAL H H 48 8.695 8.695 8.431 0.264 19660 233 1 . 1 1 49 49 LEU N N 49 129.662 129.662 128.099 1.563 19660 234 1 . 1 1 49 49 LEU HA H 49 4.722 4.722 4.672 0.050 19660 235 1 . 1 1 49 49 LEU CA C 49 53.810 53.810 54.414 -0.604 19660 236 1 . 1 1 49 49 LEU CB C 49 44.590 44.590 44.080 0.510 19660 237 1 . 1 1 49 49 LEU H H 49 8.594 8.594 8.276 0.319 19660 238 1 . 1 1 50 50 CYS N N 50 123.551 123.551 123.661 -0.110 19660 239 1 . 1 1 50 50 CYS HA H 50 5.739 5.739 4.786 0.953 19660 240 1 . 1 1 50 50 CYS CA C 50 54.289 54.289 57.591 -3.302 19660 241 1 . 1 1 50 50 CYS CB C 50 46.424 46.424 28.444 17.980 19660 242 1 . 1 1 50 50 CYS H H 50 8.910 8.910 8.281 0.629 19660 243 1 . 1 1 51 51 CYS N N 51 119.604 119.604 125.941 -6.337 19660 244 1 . 1 1 51 51 CYS HA H 51 5.369 5.369 4.858 0.511 19660 245 1 . 1 1 51 51 CYS CA C 51 51.599 51.599 55.719 -4.120 19660 246 1 . 1 1 51 51 CYS CB C 51 45.504 45.504 27.766 17.738 19660 247 1 . 1 1 51 51 CYS H H 51 9.281 9.281 8.992 0.289 19660 248 1 . 1 1 52 52 PRO HA H 52 4.978 4.978 4.323 0.655 19660 249 1 . 1 1 52 52 PRO C C 52 175.082 175.082 176.566 -1.484 19660 250 1 . 1 1 52 52 PRO CA C 52 64.434 64.434 63.727 0.707 19660 251 1 . 1 1 52 52 PRO CB C 52 32.434 32.434 32.165 0.269 19660 252 1 . 1 1 53 53 GLU N N 53 121.348 121.348 119.257 2.091 19660 253 1 . 1 1 53 53 GLU HA H 53 4.551 4.551 4.423 0.128 19660 254 1 . 1 1 53 53 GLU C C 53 174.317 174.317 175.088 -0.771 19660 255 1 . 1 1 53 53 GLU CA C 53 55.705 55.705 55.194 0.511 19660 256 1 . 1 1 53 53 GLU CB C 53 32.075 32.075 30.946 1.129 19660 257 1 . 1 1 53 53 GLU H H 53 7.232 7.232 7.863 -0.631 19660 258 1 . 1 1 54 54 ASP N N 54 118.893 118.893 118.069 0.824 19660 259 1 . 1 1 54 54 ASP HA H 54 4.870 4.870 4.580 0.290 19660 260 1 . 1 1 54 54 ASP C C 54 177.950 177.950 176.251 1.699 19660 261 1 . 1 1 54 54 ASP CA C 54 55.550 55.550 53.426 2.124 19660 262 1 . 1 1 54 54 ASP CB C 54 41.587 41.587 41.791 -0.204 19660 263 1 . 1 1 54 54 ASP H H 54 8.230 8.230 8.369 -0.139 19660 264 1 . 1 1 55 55 LEU N N 55 113.945 113.945 118.843 -4.898 19660 265 1 . 1 1 55 55 LEU HA H 55 3.690 3.690 3.842 -0.152 19660 266 1 . 1 1 55 55 LEU C C 55 176.734 176.734 176.554 0.180 19660 267 1 . 1 1 55 55 LEU CA C 55 55.646 55.646 55.335 0.311 19660 268 1 . 1 1 55 55 LEU CB C 55 37.694 37.694 39.373 -1.679 19660 269 1 . 1 1 55 55 LEU H H 55 9.462 9.462 8.830 0.632 19660 270 1 . 1 1 56 56 CYS N N 56 112.784 112.784 119.027 -6.243 19660 271 1 . 1 1 56 56 CYS HA H 56 4.514 4.514 4.444 0.070 19660 272 1 . 1 1 56 56 CYS CA C 56 56.921 56.921 58.064 -1.143 19660 273 1 . 1 1 56 56 CYS CB C 56 46.728 46.728 27.861 18.867 19660 274 1 . 1 1 56 56 CYS H H 56 7.647 7.647 9.050 -1.403 19660 stop_ save_