data_18300 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18300 _Entry.PDB_ID 2LQA 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 18300 _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 3 3 CYS HA H 3 4.345 4.345 5.233 -0.888 18300 2 1 1 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.423 -0.938 18300 3 1 1 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.401 13.901 18300 4 1 1 . 1 1 3 3 CYS H H 3 7.453 7.453 7.565 -0.112 18300 5 1 1 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.708 -0.139 18300 6 1 1 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.508 0.192 18300 7 1 1 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.922 2.123 18300 8 1 1 . 1 1 4 4 ALA H H 4 8.479 8.479 8.317 0.162 18300 9 1 1 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.792 -0.213 18300 10 1 1 . 1 1 5 5 PHE CA C 5 55.510 55.510 54.994 0.516 18300 11 1 1 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.414 -0.549 18300 12 1 1 . 1 1 5 5 PHE H H 5 7.862 7.862 7.523 0.339 18300 13 1 1 . 1 1 6 6 GLU HA H 6 3.641 3.641 3.987 -0.346 18300 14 1 1 . 1 1 6 6 GLU CA C 6 57.762 57.762 58.258 -0.496 18300 15 1 1 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.630 -1.735 18300 16 1 1 . 1 1 6 6 GLU H H 6 8.271 8.271 8.644 -0.373 18300 17 1 1 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.843 0.088 18300 18 1 1 . 1 1 7 7 GLY H H 7 9.358 9.358 8.553 0.805 18300 19 1 1 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.660 -0.028 18300 20 1 1 . 1 1 8 8 GLU CA C 8 53.905 53.905 54.167 -0.262 18300 21 1 1 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.126 2.546 18300 22 1 1 . 1 1 8 8 GLU H H 8 7.811 7.811 7.689 0.122 18300 23 1 1 . 1 1 9 9 SER HA H 9 4.969 4.969 5.340 -0.371 18300 24 1 1 . 1 1 9 9 SER CA C 9 59.134 59.134 57.054 2.080 18300 25 1 1 . 1 1 9 9 SER CB C 9 64.097 64.097 64.687 -0.590 18300 26 1 1 . 1 1 9 9 SER H H 9 8.309 8.309 8.314 -0.005 18300 27 1 1 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.910 0.477 18300 28 1 1 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.069 -4.147 18300 29 1 1 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.684 21.327 18300 30 1 1 . 1 1 10 10 CYS H H 10 8.540 8.540 8.992 -0.452 18300 31 1 1 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.110 0.275 18300 32 1 1 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.441 0.486 18300 33 1 1 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.079 2.764 18300 34 1 1 . 1 1 11 11 ASN H H 11 8.727 8.727 8.505 0.222 18300 35 1 1 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.939 -0.289 18300 36 1 1 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.370 2.046 18300 37 1 1 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.043 0.773 18300 38 1 1 . 1 1 12 12 VAL H H 12 8.498 8.498 8.448 0.050 18300 39 1 1 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.287 -0.014 18300 40 1 1 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.037 -3.038 18300 41 1 1 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.907 0.328 18300 42 1 1 . 1 1 13 13 GLN H H 13 7.749 7.749 7.664 0.085 18300 43 1 1 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.735 0.097 18300 44 1 1 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.795 0.401 18300 45 1 1 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.574 1.563 18300 46 1 1 . 1 1 14 14 PHE H H 14 8.178 8.178 6.924 1.254 18300 47 1 1 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.149 -0.328 18300 48 1 1 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.191 2.255 18300 49 1 1 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.792 -1.761 18300 50 1 1 . 1 1 15 15 TYR H H 15 8.605 8.605 7.516 1.089 18300 51 1 1 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.478 -0.211 18300 52 1 1 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.129 0.245 18300 53 1 1 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.496 -1.503 18300 54 1 1 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.659 0.182 18300 55 1 1 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.179 -2.284 18300 56 1 1 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.307 12.358 18300 57 1 1 . 1 1 17 17 CYS H H 17 8.138 8.138 8.286 -0.148 18300 58 1 1 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.679 -0.163 18300 59 1 1 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.212 -4.211 18300 60 1 1 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.621 13.088 18300 61 1 1 . 1 1 18 18 CYS H H 18 9.645 9.645 8.679 0.966 18300 62 1 1 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.497 -0.031 18300 63 1 1 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.912 0.104 18300 64 1 1 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.428 -0.336 18300 65 1 1 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.199 0.617 18300 66 1 1 . 1 1 20 20 GLY H H 20 8.510 8.510 8.704 -0.194 18300 67 1 1 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.406 0.198 18300 68 1 1 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.158 -1.248 18300 69 1 1 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.118 0.806 18300 70 1 1 . 1 1 21 21 LEU H H 21 7.616 7.616 8.021 -0.405 18300 71 1 1 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.297 1.983 18300 72 1 1 . 1 1 22 22 GLY H H 22 8.351 8.351 7.954 0.397 18300 73 1 1 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.701 -0.774 18300 74 1 1 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.362 -2.598 18300 75 1 1 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.621 -1.361 18300 76 1 1 . 1 1 23 23 LEU H H 23 7.695 7.695 7.804 -0.109 18300 77 1 1 . 1 1 24 24 THR HA H 24 4.370 4.370 4.604 -0.234 18300 78 1 1 . 1 1 24 24 THR CA C 24 60.616 60.616 60.654 -0.038 18300 79 1 1 . 1 1 24 24 THR CB C 24 70.621 70.621 71.689 -1.067 18300 80 1 1 . 1 1 24 24 THR H H 24 9.043 9.043 8.891 0.152 18300 81 1 1 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.172 -0.475 18300 82 1 1 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.349 -3.521 18300 83 1 1 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.479 12.910 18300 84 1 1 . 1 1 25 25 CYS H H 25 8.099 8.099 8.780 -0.681 18300 85 1 1 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.512 0.116 18300 86 1 1 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.217 -2.226 18300 87 1 1 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.906 0.095 18300 88 1 1 . 1 1 26 26 ILE H H 26 8.555 8.555 8.705 -0.150 18300 89 1 1 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.407 0.136 18300 90 1 1 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.349 0.981 18300 91 1 1 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.427 1.423 18300 92 1 1 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.144 1.931 18300 93 1 1 . 1 1 28 28 GLY H H 28 7.880 7.880 8.387 -0.507 18300 94 1 1 . 1 1 29 29 ASN HA H 29 5.021 5.021 5.015 0.006 18300 95 1 1 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.843 -0.936 18300 96 1 1 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.630 0.059 18300 97 1 1 . 1 1 29 29 ASN H H 29 7.996 7.996 7.766 0.230 18300 98 1 1 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.552 -0.198 18300 99 1 1 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.589 -0.069 18300 100 1 1 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.803 1.931 18300 101 1 1 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.839 1.022 18300 102 1 1 . 1 1 31 31 ASP CA C 31 52.483 52.483 54.957 -2.474 18300 103 1 1 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.508 -2.480 18300 104 1 1 . 1 1 31 31 ASP H H 31 8.148 8.148 7.704 0.444 18300 105 1 1 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.856 2.190 18300 106 1 1 . 1 1 32 32 GLY H H 32 8.459 8.459 8.261 0.198 18300 107 1 1 . 1 1 33 33 THR HA H 33 4.835 4.835 5.055 -0.220 18300 108 1 1 . 1 1 33 33 THR CA C 33 61.752 61.752 61.225 0.527 18300 109 1 1 . 1 1 33 33 THR CB C 33 71.796 71.796 71.498 0.298 18300 110 1 1 . 1 1 33 33 THR H H 33 8.667 8.667 8.176 0.491 18300 111 1 1 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.138 -0.009 18300 112 1 1 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.447 -3.098 18300 113 1 1 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.840 16.193 18300 114 1 1 . 1 1 34 34 CYS H H 34 8.253 8.253 8.655 -0.402 18300 115 1 1 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.802 0.054 18300 116 1 1 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.102 0.623 18300 117 1 1 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.782 -0.300 18300 118 1 1 . 1 1 35 35 TYR H H 35 9.299 9.299 9.049 0.250 18300 119 1 1 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.521 -0.694 18300 120 1 1 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.972 0.269 18300 121 1 1 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.815 -0.720 18300 122 1 1 . 1 1 36 36 TYR H H 36 8.548 8.548 8.872 -0.324 18300 123 1 2 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.301 -0.956 18300 124 1 2 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.510 -1.025 18300 125 1 2 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.482 13.820 18300 126 1 2 . 1 1 3 3 CYS H H 3 7.453 7.453 7.618 -0.165 18300 127 1 2 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.733 -0.164 18300 128 1 2 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.539 0.161 18300 129 1 2 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.852 2.193 18300 130 1 2 . 1 1 4 4 ALA H H 4 8.479 8.479 8.391 0.088 18300 131 1 2 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.781 -0.202 18300 132 1 2 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.117 0.393 18300 133 1 2 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.404 -0.539 18300 134 1 2 . 1 1 5 5 PHE H H 5 7.862 7.862 7.550 0.312 18300 135 1 2 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.107 -0.466 18300 136 1 2 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.994 -0.232 18300 137 1 2 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.746 -1.851 18300 138 1 2 . 1 1 6 6 GLU H H 6 8.271 8.271 8.591 -0.320 18300 139 1 2 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.943 -0.012 18300 140 1 2 . 1 1 7 7 GLY H H 7 9.358 9.358 8.497 0.861 18300 141 1 2 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.678 -0.046 18300 142 1 2 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.870 0.035 18300 143 1 2 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.406 2.266 18300 144 1 2 . 1 1 8 8 GLU H H 8 7.811 7.811 7.719 0.092 18300 145 1 2 . 1 1 9 9 SER HA H 9 4.969 4.969 5.391 -0.422 18300 146 1 2 . 1 1 9 9 SER CA C 9 59.134 59.134 57.256 1.878 18300 147 1 2 . 1 1 9 9 SER CB C 9 64.097 64.097 64.608 -0.511 18300 148 1 2 . 1 1 9 9 SER H H 9 8.309 8.309 8.275 0.034 18300 149 1 2 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.827 0.560 18300 150 1 2 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.130 -4.208 18300 151 1 2 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.486 21.525 18300 152 1 2 . 1 1 10 10 CYS H H 10 8.540 8.540 8.992 -0.452 18300 153 1 2 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.135 0.250 18300 154 1 2 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.457 0.470 18300 155 1 2 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.162 2.681 18300 156 1 2 . 1 1 11 11 ASN H H 11 8.727 8.727 8.489 0.238 18300 157 1 2 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.910 -0.260 18300 158 1 2 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.392 2.024 18300 159 1 2 . 1 1 12 12 VAL CB C 12 31.816 31.816 30.985 0.831 18300 160 1 2 . 1 1 12 12 VAL H H 12 8.498 8.498 8.466 0.032 18300 161 1 2 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.221 0.052 18300 162 1 2 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.112 -3.113 18300 163 1 2 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.858 0.377 18300 164 1 2 . 1 1 13 13 GLN H H 13 7.749 7.749 7.667 0.082 18300 165 1 2 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.692 0.140 18300 166 1 2 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.688 0.508 18300 167 1 2 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.232 1.905 18300 168 1 2 . 1 1 14 14 PHE H H 14 8.178 8.178 6.963 1.215 18300 169 1 2 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.188 -0.367 18300 170 1 2 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.206 2.240 18300 171 1 2 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.646 -1.615 18300 172 1 2 . 1 1 15 15 TYR H H 15 8.605 8.605 7.514 1.091 18300 173 1 2 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.490 -0.223 18300 174 1 2 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.103 0.271 18300 175 1 2 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.466 -1.473 18300 176 1 2 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.687 0.154 18300 177 1 2 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.182 -2.287 18300 178 1 2 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.337 12.328 18300 179 1 2 . 1 1 17 17 CYS H H 17 8.138 8.138 8.272 -0.134 18300 180 1 2 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.683 -0.167 18300 181 1 2 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.200 -4.199 18300 182 1 2 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.603 13.106 18300 183 1 2 . 1 1 18 18 CYS H H 18 9.645 9.645 8.688 0.957 18300 184 1 2 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.499 -0.033 18300 185 1 2 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.900 0.116 18300 186 1 2 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.434 -0.342 18300 187 1 2 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.285 0.531 18300 188 1 2 . 1 1 20 20 GLY H H 20 8.510 8.510 8.754 -0.244 18300 189 1 2 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.425 0.179 18300 190 1 2 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.406 -1.496 18300 191 1 2 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.121 0.803 18300 192 1 2 . 1 1 21 21 LEU H H 21 7.616 7.616 7.981 -0.365 18300 193 1 2 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.359 1.921 18300 194 1 2 . 1 1 22 22 GLY H H 22 8.351 8.351 8.006 0.345 18300 195 1 2 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.669 -0.742 18300 196 1 2 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.299 -2.535 18300 197 1 2 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.440 -1.180 18300 198 1 2 . 1 1 23 23 LEU H H 23 7.695 7.695 7.826 -0.131 18300 199 1 2 . 1 1 24 24 THR HA H 24 4.370 4.370 4.627 -0.257 18300 200 1 2 . 1 1 24 24 THR CA C 24 60.616 60.616 60.415 0.201 18300 201 1 2 . 1 1 24 24 THR CB C 24 70.621 70.621 71.990 -1.369 18300 202 1 2 . 1 1 24 24 THR H H 24 9.043 9.043 8.767 0.276 18300 203 1 2 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.237 -0.540 18300 204 1 2 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.261 -3.433 18300 205 1 2 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.489 12.900 18300 206 1 2 . 1 1 25 25 CYS H H 25 8.099 8.099 8.763 -0.664 18300 207 1 2 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.519 0.109 18300 208 1 2 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.157 -2.166 18300 209 1 2 . 1 1 26 26 ILE CB C 26 41.001 41.001 41.054 -0.054 18300 210 1 2 . 1 1 26 26 ILE H H 26 8.555 8.555 8.749 -0.194 18300 211 1 2 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.396 0.147 18300 212 1 2 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.395 0.935 18300 213 1 2 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.462 1.388 18300 214 1 2 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.143 1.932 18300 215 1 2 . 1 1 28 28 GLY H H 28 7.880 7.880 8.386 -0.506 18300 216 1 2 . 1 1 29 29 ASN HA H 29 5.021 5.021 5.014 0.007 18300 217 1 2 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.840 -0.932 18300 218 1 2 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.636 0.054 18300 219 1 2 . 1 1 29 29 ASN H H 29 7.996 7.996 7.763 0.233 18300 220 1 2 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.550 -0.196 18300 221 1 2 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.597 -0.077 18300 222 1 2 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.800 1.934 18300 223 1 2 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.870 0.991 18300 224 1 2 . 1 1 31 31 ASP CA C 31 52.483 52.483 54.893 -2.410 18300 225 1 2 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.573 -2.545 18300 226 1 2 . 1 1 31 31 ASP H H 31 8.148 8.148 7.694 0.454 18300 227 1 2 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.873 2.173 18300 228 1 2 . 1 1 32 32 GLY H H 32 8.459 8.459 8.269 0.190 18300 229 1 2 . 1 1 33 33 THR HA H 33 4.835 4.835 5.172 -0.337 18300 230 1 2 . 1 1 33 33 THR CA C 33 61.752 61.752 61.071 0.681 18300 231 1 2 . 1 1 33 33 THR CB C 33 71.796 71.796 71.659 0.137 18300 232 1 2 . 1 1 33 33 THR H H 33 8.667 8.667 8.167 0.500 18300 233 1 2 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.214 -0.085 18300 234 1 2 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.319 -2.970 18300 235 1 2 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.933 16.100 18300 236 1 2 . 1 1 34 34 CYS H H 34 8.253 8.253 8.643 -0.390 18300 237 1 2 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.806 0.050 18300 238 1 2 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.087 0.638 18300 239 1 2 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.786 -0.304 18300 240 1 2 . 1 1 35 35 TYR H H 35 9.299 9.299 9.030 0.269 18300 241 1 2 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.435 -0.608 18300 242 1 2 . 1 1 36 36 TYR CA C 36 58.241 58.241 58.009 0.232 18300 243 1 2 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.800 -0.704 18300 244 1 2 . 1 1 36 36 TYR H H 36 8.548 8.548 8.863 -0.315 18300 245 1 3 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.283 -0.938 18300 246 1 3 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.473 -0.988 18300 247 1 3 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.473 13.829 18300 248 1 3 . 1 1 3 3 CYS H H 3 7.453 7.453 7.585 -0.132 18300 249 1 3 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.718 -0.149 18300 250 1 3 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.546 0.154 18300 251 1 3 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.869 2.176 18300 252 1 3 . 1 1 4 4 ALA H H 4 8.479 8.479 8.359 0.120 18300 253 1 3 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.791 -0.212 18300 254 1 3 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.014 0.496 18300 255 1 3 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.383 -0.518 18300 256 1 3 . 1 1 5 5 PHE H H 5 7.862 7.862 7.519 0.343 18300 257 1 3 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.002 -0.361 18300 258 1 3 . 1 1 6 6 GLU CA C 6 57.762 57.762 58.226 -0.464 18300 259 1 3 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.695 -1.800 18300 260 1 3 . 1 1 6 6 GLU H H 6 8.271 8.271 8.636 -0.365 18300 261 1 3 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.863 0.068 18300 262 1 3 . 1 1 7 7 GLY H H 7 9.358 9.358 8.571 0.787 18300 263 1 3 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.633 -0.001 18300 264 1 3 . 1 1 8 8 GLU CA C 8 53.905 53.905 54.345 -0.440 18300 265 1 3 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.010 2.662 18300 266 1 3 . 1 1 8 8 GLU H H 8 7.811 7.811 7.678 0.133 18300 267 1 3 . 1 1 9 9 SER HA H 9 4.969 4.969 5.223 -0.254 18300 268 1 3 . 1 1 9 9 SER CA C 9 59.134 59.134 57.167 1.967 18300 269 1 3 . 1 1 9 9 SER CB C 9 64.097 64.097 64.824 -0.727 18300 270 1 3 . 1 1 9 9 SER H H 9 8.309 8.309 8.305 0.004 18300 271 1 3 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.891 0.496 18300 272 1 3 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.103 -4.181 18300 273 1 3 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.736 21.275 18300 274 1 3 . 1 1 10 10 CYS H H 10 8.540 8.540 9.165 -0.625 18300 275 1 3 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.158 0.227 18300 276 1 3 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.378 0.549 18300 277 1 3 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.256 2.587 18300 278 1 3 . 1 1 11 11 ASN H H 11 8.727 8.727 8.525 0.202 18300 279 1 3 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.912 -0.262 18300 280 1 3 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.638 1.778 18300 281 1 3 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.011 0.805 18300 282 1 3 . 1 1 12 12 VAL H H 12 8.498 8.498 8.485 0.013 18300 283 1 3 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.223 0.050 18300 284 1 3 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.216 -3.217 18300 285 1 3 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.887 0.348 18300 286 1 3 . 1 1 13 13 GLN H H 13 7.749 7.749 7.646 0.103 18300 287 1 3 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.681 0.151 18300 288 1 3 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.777 0.419 18300 289 1 3 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.009 2.128 18300 290 1 3 . 1 1 14 14 PHE H H 14 8.178 8.178 6.887 1.291 18300 291 1 3 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.168 -0.347 18300 292 1 3 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.193 2.253 18300 293 1 3 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.671 -1.640 18300 294 1 3 . 1 1 15 15 TYR H H 15 8.605 8.605 7.528 1.077 18300 295 1 3 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.489 -0.222 18300 296 1 3 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.122 0.252 18300 297 1 3 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.477 -1.484 18300 298 1 3 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.662 0.179 18300 299 1 3 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.300 -2.405 18300 300 1 3 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.303 12.362 18300 301 1 3 . 1 1 17 17 CYS H H 17 8.138 8.138 8.289 -0.151 18300 302 1 3 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.685 -0.169 18300 303 1 3 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.220 -4.219 18300 304 1 3 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.662 13.047 18300 305 1 3 . 1 1 18 18 CYS H H 18 9.645 9.645 8.689 0.956 18300 306 1 3 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.498 -0.032 18300 307 1 3 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.924 0.092 18300 308 1 3 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.448 -0.356 18300 309 1 3 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.327 0.489 18300 310 1 3 . 1 1 20 20 GLY H H 20 8.510 8.510 8.755 -0.245 18300 311 1 3 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.429 0.175 18300 312 1 3 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.389 -1.479 18300 313 1 3 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.145 0.779 18300 314 1 3 . 1 1 21 21 LEU H H 21 7.616 7.616 7.967 -0.351 18300 315 1 3 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.328 1.952 18300 316 1 3 . 1 1 22 22 GLY H H 22 8.351 8.351 7.985 0.366 18300 317 1 3 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.666 -0.739 18300 318 1 3 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.285 -2.521 18300 319 1 3 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.597 -1.337 18300 320 1 3 . 1 1 23 23 LEU H H 23 7.695 7.695 7.817 -0.122 18300 321 1 3 . 1 1 24 24 THR HA H 24 4.370 4.370 4.644 -0.274 18300 322 1 3 . 1 1 24 24 THR CA C 24 60.616 60.616 60.452 0.164 18300 323 1 3 . 1 1 24 24 THR CB C 24 70.621 70.621 71.593 -0.972 18300 324 1 3 . 1 1 24 24 THR H H 24 9.043 9.043 8.875 0.168 18300 325 1 3 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.170 -0.473 18300 326 1 3 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.053 -3.225 18300 327 1 3 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.024 13.365 18300 328 1 3 . 1 1 25 25 CYS H H 25 8.099 8.099 8.861 -0.762 18300 329 1 3 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.545 0.083 18300 330 1 3 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.210 -2.219 18300 331 1 3 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.761 0.240 18300 332 1 3 . 1 1 26 26 ILE H H 26 8.555 8.555 8.912 -0.357 18300 333 1 3 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.420 0.123 18300 334 1 3 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.511 0.819 18300 335 1 3 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.331 1.519 18300 336 1 3 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.087 1.988 18300 337 1 3 . 1 1 28 28 GLY H H 28 7.880 7.880 8.335 -0.455 18300 338 1 3 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.963 0.058 18300 339 1 3 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.800 -0.893 18300 340 1 3 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.767 -0.077 18300 341 1 3 . 1 1 29 29 ASN H H 29 7.996 7.996 7.837 0.159 18300 342 1 3 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.657 -0.303 18300 343 1 3 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.472 0.048 18300 344 1 3 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.430 2.304 18300 345 1 3 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.940 0.921 18300 346 1 3 . 1 1 31 31 ASP CA C 31 52.483 52.483 54.724 -2.241 18300 347 1 3 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.279 -2.251 18300 348 1 3 . 1 1 31 31 ASP H H 31 8.148 8.148 8.050 0.098 18300 349 1 3 . 1 1 32 32 GLY CA C 32 47.046 47.046 45.015 2.031 18300 350 1 3 . 1 1 32 32 GLY H H 32 8.459 8.459 8.427 0.032 18300 351 1 3 . 1 1 33 33 THR HA H 33 4.835 4.835 4.938 -0.103 18300 352 1 3 . 1 1 33 33 THR CA C 33 61.752 61.752 61.682 0.070 18300 353 1 3 . 1 1 33 33 THR CB C 33 71.796 71.796 70.326 1.470 18300 354 1 3 . 1 1 33 33 THR H H 33 8.667 8.667 8.652 0.015 18300 355 1 3 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.178 -0.049 18300 356 1 3 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.453 -3.104 18300 357 1 3 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.814 16.219 18300 358 1 3 . 1 1 34 34 CYS H H 34 8.253 8.253 8.533 -0.280 18300 359 1 3 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.814 0.042 18300 360 1 3 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.047 0.678 18300 361 1 3 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.672 -0.190 18300 362 1 3 . 1 1 35 35 TYR H H 35 9.299 9.299 9.053 0.246 18300 363 1 3 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.636 -0.809 18300 364 1 3 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.846 0.395 18300 365 1 3 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.887 -0.792 18300 366 1 3 . 1 1 36 36 TYR H H 36 8.548 8.548 8.862 -0.314 18300 367 1 4 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.340 -0.995 18300 368 1 4 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.264 -0.779 18300 369 1 4 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.916 13.386 18300 370 1 4 . 1 1 3 3 CYS H H 3 7.453 7.453 7.608 -0.155 18300 371 1 4 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.721 -0.152 18300 372 1 4 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.496 0.204 18300 373 1 4 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.940 2.105 18300 374 1 4 . 1 1 4 4 ALA H H 4 8.479 8.479 8.273 0.206 18300 375 1 4 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.796 -0.217 18300 376 1 4 . 1 1 5 5 PHE CA C 5 55.510 55.510 54.994 0.516 18300 377 1 4 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.396 -0.531 18300 378 1 4 . 1 1 5 5 PHE H H 5 7.862 7.862 7.549 0.313 18300 379 1 4 . 1 1 6 6 GLU HA H 6 3.641 3.641 3.997 -0.356 18300 380 1 4 . 1 1 6 6 GLU CA C 6 57.762 57.762 58.264 -0.502 18300 381 1 4 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.621 -1.726 18300 382 1 4 . 1 1 6 6 GLU H H 6 8.271 8.271 8.647 -0.376 18300 383 1 4 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.760 0.171 18300 384 1 4 . 1 1 7 7 GLY H H 7 9.358 9.358 8.813 0.545 18300 385 1 4 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.627 0.005 18300 386 1 4 . 1 1 8 8 GLU CA C 8 53.905 53.905 54.325 -0.420 18300 387 1 4 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.383 2.289 18300 388 1 4 . 1 1 8 8 GLU H H 8 7.811 7.811 7.602 0.209 18300 389 1 4 . 1 1 9 9 SER HA H 9 4.969 4.969 5.244 -0.275 18300 390 1 4 . 1 1 9 9 SER CA C 9 59.134 59.134 58.179 0.955 18300 391 1 4 . 1 1 9 9 SER CB C 9 64.097 64.097 64.318 -0.221 18300 392 1 4 . 1 1 9 9 SER H H 9 8.309 8.309 8.331 -0.022 18300 393 1 4 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.828 0.559 18300 394 1 4 . 1 1 10 10 CYS CA C 10 52.922 52.922 56.924 -4.002 18300 395 1 4 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.713 21.298 18300 396 1 4 . 1 1 10 10 CYS H H 10 8.540 8.540 9.077 -0.537 18300 397 1 4 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.115 0.270 18300 398 1 4 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.399 0.528 18300 399 1 4 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.242 2.602 18300 400 1 4 . 1 1 11 11 ASN H H 11 8.727 8.727 8.499 0.228 18300 401 1 4 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.941 -0.291 18300 402 1 4 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.331 2.085 18300 403 1 4 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.049 0.766 18300 404 1 4 . 1 1 12 12 VAL H H 12 8.498 8.498 8.435 0.063 18300 405 1 4 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.285 -0.012 18300 406 1 4 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.060 -3.061 18300 407 1 4 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.879 0.356 18300 408 1 4 . 1 1 13 13 GLN H H 13 7.749 7.749 7.675 0.074 18300 409 1 4 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.732 0.100 18300 410 1 4 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.760 0.436 18300 411 1 4 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.591 1.546 18300 412 1 4 . 1 1 14 14 PHE H H 14 8.178 8.178 6.927 1.251 18300 413 1 4 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.163 -0.342 18300 414 1 4 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.189 2.257 18300 415 1 4 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.849 -1.818 18300 416 1 4 . 1 1 15 15 TYR H H 15 8.605 8.605 7.526 1.079 18300 417 1 4 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.474 -0.207 18300 418 1 4 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.129 0.245 18300 419 1 4 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.488 -1.495 18300 420 1 4 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.648 0.193 18300 421 1 4 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.189 -2.294 18300 422 1 4 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.304 12.361 18300 423 1 4 . 1 1 17 17 CYS H H 17 8.138 8.138 8.285 -0.147 18300 424 1 4 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.678 -0.162 18300 425 1 4 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.211 -4.210 18300 426 1 4 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.606 13.103 18300 427 1 4 . 1 1 18 18 CYS H H 18 9.645 9.645 8.678 0.967 18300 428 1 4 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.498 -0.032 18300 429 1 4 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.900 0.116 18300 430 1 4 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.438 -0.346 18300 431 1 4 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.307 0.509 18300 432 1 4 . 1 1 20 20 GLY H H 20 8.510 8.510 8.752 -0.242 18300 433 1 4 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.416 0.188 18300 434 1 4 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.379 -1.469 18300 435 1 4 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.203 0.721 18300 436 1 4 . 1 1 21 21 LEU H H 21 7.616 7.616 8.030 -0.414 18300 437 1 4 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.277 2.003 18300 438 1 4 . 1 1 22 22 GLY H H 22 8.351 8.351 7.944 0.407 18300 439 1 4 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.701 -0.774 18300 440 1 4 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.385 -2.621 18300 441 1 4 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.605 -1.345 18300 442 1 4 . 1 1 23 23 LEU H H 23 7.695 7.695 7.824 -0.129 18300 443 1 4 . 1 1 24 24 THR HA H 24 4.370 4.370 4.605 -0.235 18300 444 1 4 . 1 1 24 24 THR CA C 24 60.616 60.616 60.654 -0.037 18300 445 1 4 . 1 1 24 24 THR CB C 24 70.621 70.621 71.695 -1.074 18300 446 1 4 . 1 1 24 24 THR H H 24 9.043 9.043 8.896 0.147 18300 447 1 4 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.254 -0.557 18300 448 1 4 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.310 -3.482 18300 449 1 4 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.531 12.858 18300 450 1 4 . 1 1 25 25 CYS H H 25 8.099 8.099 8.779 -0.680 18300 451 1 4 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.533 0.095 18300 452 1 4 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.190 -2.199 18300 453 1 4 . 1 1 26 26 ILE CB C 26 41.001 41.001 41.052 -0.051 18300 454 1 4 . 1 1 26 26 ILE H H 26 8.555 8.555 8.758 -0.203 18300 455 1 4 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.407 0.136 18300 456 1 4 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.501 0.829 18300 457 1 4 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.404 1.446 18300 458 1 4 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.081 1.994 18300 459 1 4 . 1 1 28 28 GLY H H 28 7.880 7.880 8.322 -0.442 18300 460 1 4 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.972 0.049 18300 461 1 4 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.743 -0.836 18300 462 1 4 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.783 -0.094 18300 463 1 4 . 1 1 29 29 ASN H H 29 7.996 7.996 7.827 0.169 18300 464 1 4 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.665 -0.311 18300 465 1 4 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.634 -0.114 18300 466 1 4 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.475 2.259 18300 467 1 4 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.869 0.992 18300 468 1 4 . 1 1 31 31 ASP CA C 31 52.483 52.483 52.878 -0.395 18300 469 1 4 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.154 -2.127 18300 470 1 4 . 1 1 31 31 ASP H H 31 8.148 8.148 7.977 0.171 18300 471 1 4 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.879 2.167 18300 472 1 4 . 1 1 32 32 GLY H H 32 8.459 8.459 8.275 0.184 18300 473 1 4 . 1 1 33 33 THR HA H 33 4.835 4.835 5.033 -0.198 18300 474 1 4 . 1 1 33 33 THR CA C 33 61.752 61.752 60.854 0.898 18300 475 1 4 . 1 1 33 33 THR CB C 33 71.796 71.796 71.316 0.480 18300 476 1 4 . 1 1 33 33 THR H H 33 8.667 8.667 8.233 0.434 18300 477 1 4 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.083 0.046 18300 478 1 4 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.312 -2.963 18300 479 1 4 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.803 16.230 18300 480 1 4 . 1 1 34 34 CYS H H 34 8.253 8.253 8.651 -0.398 18300 481 1 4 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.806 0.050 18300 482 1 4 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.096 0.629 18300 483 1 4 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.759 -0.277 18300 484 1 4 . 1 1 35 35 TYR H H 35 9.299 9.299 9.059 0.240 18300 485 1 4 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.489 -0.662 18300 486 1 4 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.975 0.266 18300 487 1 4 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.837 -0.742 18300 488 1 4 . 1 1 36 36 TYR H H 36 8.548 8.548 8.869 -0.321 18300 489 1 5 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.342 -0.997 18300 490 1 5 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.292 -0.807 18300 491 1 5 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.695 13.607 18300 492 1 5 . 1 1 3 3 CYS H H 3 7.453 7.453 7.590 -0.137 18300 493 1 5 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.713 -0.144 18300 494 1 5 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.519 0.181 18300 495 1 5 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.864 2.181 18300 496 1 5 . 1 1 4 4 ALA H H 4 8.479 8.479 8.341 0.138 18300 497 1 5 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.774 -0.195 18300 498 1 5 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.120 0.390 18300 499 1 5 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.449 -0.584 18300 500 1 5 . 1 1 5 5 PHE H H 5 7.862 7.862 7.550 0.312 18300 501 1 5 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.120 -0.479 18300 502 1 5 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.937 -0.175 18300 503 1 5 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.740 -1.845 18300 504 1 5 . 1 1 6 6 GLU H H 6 8.271 8.271 8.585 -0.314 18300 505 1 5 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.955 -0.024 18300 506 1 5 . 1 1 7 7 GLY H H 7 9.358 9.358 8.494 0.864 18300 507 1 5 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.638 -0.006 18300 508 1 5 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.728 0.177 18300 509 1 5 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.578 2.094 18300 510 1 5 . 1 1 8 8 GLU H H 8 7.811 7.811 7.688 0.123 18300 511 1 5 . 1 1 9 9 SER HA H 9 4.969 4.969 5.347 -0.378 18300 512 1 5 . 1 1 9 9 SER CA C 9 59.134 59.134 58.203 0.931 18300 513 1 5 . 1 1 9 9 SER CB C 9 64.097 64.097 64.219 -0.122 18300 514 1 5 . 1 1 9 9 SER H H 9 8.309 8.309 8.356 -0.047 18300 515 1 5 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.871 0.516 18300 516 1 5 . 1 1 10 10 CYS CA C 10 52.922 52.922 56.820 -3.898 18300 517 1 5 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.870 21.141 18300 518 1 5 . 1 1 10 10 CYS H H 10 8.540 8.540 9.073 -0.533 18300 519 1 5 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.101 0.284 18300 520 1 5 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.387 0.540 18300 521 1 5 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.166 2.678 18300 522 1 5 . 1 1 11 11 ASN H H 11 8.727 8.727 8.471 0.256 18300 523 1 5 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.913 -0.263 18300 524 1 5 . 1 1 12 12 VAL CA C 12 65.416 65.416 64.050 1.366 18300 525 1 5 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.475 0.341 18300 526 1 5 . 1 1 12 12 VAL H H 12 8.498 8.498 8.413 0.085 18300 527 1 5 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.285 -0.012 18300 528 1 5 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.147 -3.147 18300 529 1 5 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.650 0.585 18300 530 1 5 . 1 1 13 13 GLN H H 13 7.749 7.749 7.659 0.090 18300 531 1 5 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.740 0.092 18300 532 1 5 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.758 0.438 18300 533 1 5 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.611 1.526 18300 534 1 5 . 1 1 14 14 PHE H H 14 8.178 8.178 6.915 1.263 18300 535 1 5 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.170 -0.349 18300 536 1 5 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.190 2.256 18300 537 1 5 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.817 -1.786 18300 538 1 5 . 1 1 15 15 TYR H H 15 8.605 8.605 7.521 1.084 18300 539 1 5 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.475 -0.208 18300 540 1 5 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.099 0.275 18300 541 1 5 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.480 -1.487 18300 542 1 5 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.663 0.178 18300 543 1 5 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.141 -2.245 18300 544 1 5 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.372 12.293 18300 545 1 5 . 1 1 17 17 CYS H H 17 8.138 8.138 8.258 -0.120 18300 546 1 5 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.678 -0.162 18300 547 1 5 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.182 -4.181 18300 548 1 5 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.591 13.118 18300 549 1 5 . 1 1 18 18 CYS H H 18 9.645 9.645 8.680 0.965 18300 550 1 5 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.497 -0.031 18300 551 1 5 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.896 0.120 18300 552 1 5 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.433 -0.341 18300 553 1 5 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.287 0.529 18300 554 1 5 . 1 1 20 20 GLY H H 20 8.510 8.510 8.753 -0.243 18300 555 1 5 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.422 0.182 18300 556 1 5 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.414 -1.504 18300 557 1 5 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.114 0.810 18300 558 1 5 . 1 1 21 21 LEU H H 21 7.616 7.616 7.981 -0.365 18300 559 1 5 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.356 1.924 18300 560 1 5 . 1 1 22 22 GLY H H 22 8.351 8.351 8.002 0.349 18300 561 1 5 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.697 -0.770 18300 562 1 5 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.392 -2.627 18300 563 1 5 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.505 -1.245 18300 564 1 5 . 1 1 23 23 LEU H H 23 7.695 7.695 7.827 -0.132 18300 565 1 5 . 1 1 24 24 THR HA H 24 4.370 4.370 4.599 -0.229 18300 566 1 5 . 1 1 24 24 THR CA C 24 60.616 60.616 60.684 -0.069 18300 567 1 5 . 1 1 24 24 THR CB C 24 70.621 70.621 71.682 -1.061 18300 568 1 5 . 1 1 24 24 THR H H 24 9.043 9.043 8.851 0.192 18300 569 1 5 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.260 -0.562 18300 570 1 5 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.328 -3.500 18300 571 1 5 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.546 12.843 18300 572 1 5 . 1 1 25 25 CYS H H 25 8.099 8.099 8.778 -0.679 18300 573 1 5 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.516 0.112 18300 574 1 5 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.216 -2.225 18300 575 1 5 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.908 0.092 18300 576 1 5 . 1 1 26 26 ILE H H 26 8.555 8.555 8.763 -0.208 18300 577 1 5 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.411 0.132 18300 578 1 5 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.337 0.993 18300 579 1 5 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.429 1.421 18300 580 1 5 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.084 1.991 18300 581 1 5 . 1 1 28 28 GLY H H 28 7.880 7.880 8.319 -0.439 18300 582 1 5 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.974 0.047 18300 583 1 5 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.729 -0.822 18300 584 1 5 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.775 -0.085 18300 585 1 5 . 1 1 29 29 ASN H H 29 7.996 7.996 7.824 0.172 18300 586 1 5 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.667 -0.313 18300 587 1 5 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.634 -0.114 18300 588 1 5 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.484 2.250 18300 589 1 5 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.896 0.965 18300 590 1 5 . 1 1 31 31 ASP CA C 31 52.483 52.483 52.821 -0.338 18300 591 1 5 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.212 -2.184 18300 592 1 5 . 1 1 31 31 ASP H H 31 8.148 8.148 7.971 0.177 18300 593 1 5 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.795 2.251 18300 594 1 5 . 1 1 32 32 GLY H H 32 8.459 8.459 8.310 0.149 18300 595 1 5 . 1 1 33 33 THR HA H 33 4.835 4.835 5.106 -0.271 18300 596 1 5 . 1 1 33 33 THR CA C 33 61.752 61.752 60.602 1.151 18300 597 1 5 . 1 1 33 33 THR CB C 33 71.796 71.796 71.713 0.083 18300 598 1 5 . 1 1 33 33 THR H H 33 8.667 8.667 8.228 0.439 18300 599 1 5 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.223 -0.094 18300 600 1 5 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.166 -2.817 18300 601 1 5 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.878 16.155 18300 602 1 5 . 1 1 34 34 CYS H H 34 8.253 8.253 8.655 -0.402 18300 603 1 5 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.810 0.046 18300 604 1 5 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.076 0.649 18300 605 1 5 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.760 -0.278 18300 606 1 5 . 1 1 35 35 TYR H H 35 9.299 9.299 9.036 0.263 18300 607 1 5 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.440 -0.613 18300 608 1 5 . 1 1 36 36 TYR CA C 36 58.241 58.241 58.007 0.234 18300 609 1 5 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.829 -0.734 18300 610 1 5 . 1 1 36 36 TYR H H 36 8.548 8.548 8.860 -0.312 18300 611 1 6 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.179 -0.834 18300 612 1 6 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.659 -1.174 18300 613 1 6 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.297 14.005 18300 614 1 6 . 1 1 3 3 CYS H H 3 7.453 7.453 7.615 -0.162 18300 615 1 6 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.669 -0.100 18300 616 1 6 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.649 0.051 18300 617 1 6 . 1 1 4 4 ALA CB C 4 23.045 23.045 21.125 1.920 18300 618 1 6 . 1 1 4 4 ALA H H 4 8.479 8.479 8.286 0.193 18300 619 1 6 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.793 -0.214 18300 620 1 6 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.002 0.508 18300 621 1 6 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.396 -0.531 18300 622 1 6 . 1 1 5 5 PHE H H 5 7.862 7.862 7.552 0.310 18300 623 1 6 . 1 1 6 6 GLU HA H 6 3.641 3.641 3.996 -0.355 18300 624 1 6 . 1 1 6 6 GLU CA C 6 57.762 57.762 58.245 -0.483 18300 625 1 6 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.624 -1.729 18300 626 1 6 . 1 1 6 6 GLU H H 6 8.271 8.271 8.646 -0.375 18300 627 1 6 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.835 0.096 18300 628 1 6 . 1 1 7 7 GLY H H 7 9.358 9.358 8.546 0.812 18300 629 1 6 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.662 -0.030 18300 630 1 6 . 1 1 8 8 GLU CA C 8 53.905 53.905 54.077 -0.172 18300 631 1 6 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.280 2.392 18300 632 1 6 . 1 1 8 8 GLU H H 8 7.811 7.811 7.682 0.129 18300 633 1 6 . 1 1 9 9 SER HA H 9 4.969 4.969 5.252 -0.283 18300 634 1 6 . 1 1 9 9 SER CA C 9 59.134 59.134 58.264 0.870 18300 635 1 6 . 1 1 9 9 SER CB C 9 64.097 64.097 64.340 -0.243 18300 636 1 6 . 1 1 9 9 SER H H 9 8.309 8.309 8.355 -0.046 18300 637 1 6 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.884 0.503 18300 638 1 6 . 1 1 10 10 CYS CA C 10 52.922 52.922 56.873 -3.951 18300 639 1 6 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.889 21.122 18300 640 1 6 . 1 1 10 10 CYS H H 10 8.540 8.540 9.081 -0.541 18300 641 1 6 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.107 0.278 18300 642 1 6 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.391 0.536 18300 643 1 6 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.158 2.685 18300 644 1 6 . 1 1 11 11 ASN H H 11 8.727 8.727 8.494 0.233 18300 645 1 6 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.909 -0.259 18300 646 1 6 . 1 1 12 12 VAL CA C 12 65.416 65.416 64.117 1.299 18300 647 1 6 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.498 0.318 18300 648 1 6 . 1 1 12 12 VAL H H 12 8.498 8.498 8.439 0.059 18300 649 1 6 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.279 -0.006 18300 650 1 6 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.208 -3.209 18300 651 1 6 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.635 0.600 18300 652 1 6 . 1 1 13 13 GLN H H 13 7.749 7.749 7.679 0.070 18300 653 1 6 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.735 0.097 18300 654 1 6 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.790 0.406 18300 655 1 6 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.577 1.560 18300 656 1 6 . 1 1 14 14 PHE H H 14 8.178 8.178 6.919 1.259 18300 657 1 6 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.140 -0.319 18300 658 1 6 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.215 2.231 18300 659 1 6 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.842 -1.810 18300 660 1 6 . 1 1 15 15 TYR H H 15 8.605 8.605 7.530 1.075 18300 661 1 6 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.476 -0.209 18300 662 1 6 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.142 0.232 18300 663 1 6 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.489 -1.496 18300 664 1 6 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.659 0.182 18300 665 1 6 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.195 -2.300 18300 666 1 6 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.316 12.349 18300 667 1 6 . 1 1 17 17 CYS H H 17 8.138 8.138 8.295 -0.157 18300 668 1 6 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.681 -0.165 18300 669 1 6 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.216 -4.215 18300 670 1 6 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.625 13.084 18300 671 1 6 . 1 1 18 18 CYS H H 18 9.645 9.645 8.685 0.960 18300 672 1 6 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.499 -0.033 18300 673 1 6 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.916 0.100 18300 674 1 6 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.424 -0.332 18300 675 1 6 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.197 0.619 18300 676 1 6 . 1 1 20 20 GLY H H 20 8.510 8.510 8.703 -0.193 18300 677 1 6 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.410 0.194 18300 678 1 6 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.164 -1.254 18300 679 1 6 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.120 0.804 18300 680 1 6 . 1 1 21 21 LEU H H 21 7.616 7.616 8.023 -0.407 18300 681 1 6 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.308 1.972 18300 682 1 6 . 1 1 22 22 GLY H H 22 8.351 8.351 7.965 0.386 18300 683 1 6 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.660 -0.733 18300 684 1 6 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.296 -2.532 18300 685 1 6 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.444 -1.184 18300 686 1 6 . 1 1 23 23 LEU H H 23 7.695 7.695 7.812 -0.117 18300 687 1 6 . 1 1 24 24 THR HA H 24 4.370 4.370 4.617 -0.247 18300 688 1 6 . 1 1 24 24 THR CA C 24 60.616 60.616 60.808 -0.192 18300 689 1 6 . 1 1 24 24 THR CB C 24 70.621 70.621 71.713 -1.092 18300 690 1 6 . 1 1 24 24 THR H H 24 9.043 9.043 8.884 0.159 18300 691 1 6 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.293 -0.596 18300 692 1 6 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.208 -3.380 18300 693 1 6 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.497 12.893 18300 694 1 6 . 1 1 25 25 CYS H H 25 8.099 8.099 8.765 -0.666 18300 695 1 6 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.515 0.113 18300 696 1 6 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.209 -2.217 18300 697 1 6 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.860 0.141 18300 698 1 6 . 1 1 26 26 ILE H H 26 8.555 8.555 8.730 -0.175 18300 699 1 6 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.408 0.135 18300 700 1 6 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.363 0.967 18300 701 1 6 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.416 1.434 18300 702 1 6 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.134 1.941 18300 703 1 6 . 1 1 28 28 GLY H H 28 7.880 7.880 8.372 -0.492 18300 704 1 6 . 1 1 29 29 ASN HA H 29 5.021 5.021 5.025 -0.004 18300 705 1 6 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.720 -0.813 18300 706 1 6 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.661 0.029 18300 707 1 6 . 1 1 29 29 ASN H H 29 7.996 7.996 7.748 0.248 18300 708 1 6 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.500 -0.146 18300 709 1 6 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.619 -0.099 18300 710 1 6 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.993 1.741 18300 711 1 6 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.788 1.073 18300 712 1 6 . 1 1 31 31 ASP CA C 31 52.483 52.483 52.850 -0.367 18300 713 1 6 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.927 -2.899 18300 714 1 6 . 1 1 31 31 ASP H H 31 8.148 8.148 7.666 0.482 18300 715 1 6 . 1 1 32 32 GLY CA C 32 47.046 47.046 45.050 1.996 18300 716 1 6 . 1 1 32 32 GLY H H 32 8.459 8.459 8.331 0.128 18300 717 1 6 . 1 1 33 33 THR HA H 33 4.835 4.835 5.059 -0.224 18300 718 1 6 . 1 1 33 33 THR CA C 33 61.752 61.752 61.181 0.571 18300 719 1 6 . 1 1 33 33 THR CB C 33 71.796 71.796 71.612 0.183 18300 720 1 6 . 1 1 33 33 THR H H 33 8.667 8.667 8.188 0.479 18300 721 1 6 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.135 -0.006 18300 722 1 6 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.417 -3.068 18300 723 1 6 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.847 16.186 18300 724 1 6 . 1 1 34 34 CYS H H 34 8.253 8.253 8.642 -0.389 18300 725 1 6 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.806 0.050 18300 726 1 6 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.102 0.622 18300 727 1 6 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.774 -0.292 18300 728 1 6 . 1 1 35 35 TYR H H 35 9.299 9.299 9.062 0.237 18300 729 1 6 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.503 -0.676 18300 730 1 6 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.969 0.272 18300 731 1 6 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.845 -0.750 18300 732 1 6 . 1 1 36 36 TYR H H 36 8.548 8.548 8.870 -0.322 18300 733 1 7 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.323 -0.978 18300 734 1 7 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.842 -1.357 18300 735 1 7 . 1 1 3 3 CYS CB C 3 43.302 43.302 30.772 12.530 18300 736 1 7 . 1 1 3 3 CYS H H 3 7.453 7.453 7.541 -0.088 18300 737 1 7 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.716 -0.147 18300 738 1 7 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.535 0.165 18300 739 1 7 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.861 2.184 18300 740 1 7 . 1 1 4 4 ALA H H 4 8.479 8.479 8.355 0.124 18300 741 1 7 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.790 -0.211 18300 742 1 7 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.020 0.490 18300 743 1 7 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.411 -0.546 18300 744 1 7 . 1 1 5 5 PHE H H 5 7.862 7.862 7.884 -0.022 18300 745 1 7 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.108 -0.467 18300 746 1 7 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.899 -0.137 18300 747 1 7 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.779 -1.884 18300 748 1 7 . 1 1 6 6 GLU H H 6 8.271 8.271 8.567 -0.296 18300 749 1 7 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.991 -0.060 18300 750 1 7 . 1 1 7 7 GLY H H 7 9.358 9.358 8.509 0.849 18300 751 1 7 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.684 -0.052 18300 752 1 7 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.645 0.260 18300 753 1 7 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.517 2.155 18300 754 1 7 . 1 1 8 8 GLU H H 8 7.811 7.811 7.672 0.139 18300 755 1 7 . 1 1 9 9 SER HA H 9 4.969 4.969 5.395 -0.426 18300 756 1 7 . 1 1 9 9 SER CA C 9 59.134 59.134 57.092 2.042 18300 757 1 7 . 1 1 9 9 SER CB C 9 64.097 64.097 63.945 0.152 18300 758 1 7 . 1 1 9 9 SER H H 9 8.309 8.309 8.371 -0.062 18300 759 1 7 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.805 0.582 18300 760 1 7 . 1 1 10 10 CYS CA C 10 52.922 52.922 56.889 -3.967 18300 761 1 7 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.231 20.780 18300 762 1 7 . 1 1 10 10 CYS H H 10 8.540 8.540 9.096 -0.556 18300 763 1 7 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.073 0.312 18300 764 1 7 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.458 0.469 18300 765 1 7 . 1 1 11 11 ASN CB C 11 42.843 42.843 39.871 2.972 18300 766 1 7 . 1 1 11 11 ASN H H 11 8.727 8.727 8.466 0.261 18300 767 1 7 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.913 -0.263 18300 768 1 7 . 1 1 12 12 VAL CA C 12 65.416 65.416 64.061 1.355 18300 769 1 7 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.444 0.372 18300 770 1 7 . 1 1 12 12 VAL H H 12 8.498 8.498 8.439 0.059 18300 771 1 7 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.286 -0.013 18300 772 1 7 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.136 -3.136 18300 773 1 7 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.672 0.563 18300 774 1 7 . 1 1 13 13 GLN H H 13 7.749 7.749 7.652 0.097 18300 775 1 7 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.744 0.088 18300 776 1 7 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.738 0.458 18300 777 1 7 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.615 1.522 18300 778 1 7 . 1 1 14 14 PHE H H 14 8.178 8.178 6.889 1.289 18300 779 1 7 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.130 -0.309 18300 780 1 7 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.217 2.229 18300 781 1 7 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.839 -1.808 18300 782 1 7 . 1 1 15 15 TYR H H 15 8.605 8.605 7.519 1.086 18300 783 1 7 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.475 -0.208 18300 784 1 7 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.093 0.281 18300 785 1 7 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.471 -1.478 18300 786 1 7 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.638 0.203 18300 787 1 7 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.211 -2.316 18300 788 1 7 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.323 12.342 18300 789 1 7 . 1 1 17 17 CYS H H 17 8.138 8.138 8.259 -0.121 18300 790 1 7 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.673 -0.157 18300 791 1 7 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.195 -4.194 18300 792 1 7 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.583 13.126 18300 793 1 7 . 1 1 18 18 CYS H H 18 9.645 9.645 8.668 0.977 18300 794 1 7 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.496 -0.030 18300 795 1 7 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.905 0.111 18300 796 1 7 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.428 -0.336 18300 797 1 7 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.291 0.525 18300 798 1 7 . 1 1 20 20 GLY H H 20 8.510 8.510 8.749 -0.239 18300 799 1 7 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.420 0.184 18300 800 1 7 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.437 -1.527 18300 801 1 7 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.243 0.681 18300 802 1 7 . 1 1 21 21 LEU H H 21 7.616 7.616 8.010 -0.394 18300 803 1 7 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.296 1.984 18300 804 1 7 . 1 1 22 22 GLY H H 22 8.351 8.351 7.952 0.399 18300 805 1 7 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.680 -0.753 18300 806 1 7 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.285 -2.521 18300 807 1 7 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.571 -1.311 18300 808 1 7 . 1 1 23 23 LEU H H 23 7.695 7.695 7.853 -0.158 18300 809 1 7 . 1 1 24 24 THR HA H 24 4.370 4.370 4.631 -0.261 18300 810 1 7 . 1 1 24 24 THR CA C 24 60.616 60.616 60.468 0.148 18300 811 1 7 . 1 1 24 24 THR CB C 24 70.621 70.621 71.564 -0.943 18300 812 1 7 . 1 1 24 24 THR H H 24 9.043 9.043 8.748 0.295 18300 813 1 7 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.210 -0.513 18300 814 1 7 . 1 1 25 25 CYS CA C 25 54.828 54.828 57.983 -3.155 18300 815 1 7 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.076 13.313 18300 816 1 7 . 1 1 25 25 CYS H H 25 8.099 8.099 8.852 -0.753 18300 817 1 7 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.529 0.099 18300 818 1 7 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.037 -2.046 18300 819 1 7 . 1 1 26 26 ILE CB C 26 41.001 41.001 41.056 -0.055 18300 820 1 7 . 1 1 26 26 ILE H H 26 8.555 8.555 8.971 -0.416 18300 821 1 7 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.363 0.180 18300 822 1 7 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.803 0.527 18300 823 1 7 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.399 1.451 18300 824 1 7 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.283 1.792 18300 825 1 7 . 1 1 28 28 GLY H H 28 7.880 7.880 8.371 -0.491 18300 826 1 7 . 1 1 29 29 ASN HA H 29 5.021 5.021 5.001 0.020 18300 827 1 7 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.740 -0.833 18300 828 1 7 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.697 -0.007 18300 829 1 7 . 1 1 29 29 ASN H H 29 7.996 7.996 7.760 0.236 18300 830 1 7 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.471 -0.117 18300 831 1 7 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.664 -0.144 18300 832 1 7 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.903 1.831 18300 833 1 7 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.736 1.125 18300 834 1 7 . 1 1 31 31 ASP CA C 31 52.483 52.483 52.962 -0.479 18300 835 1 7 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.676 -2.648 18300 836 1 7 . 1 1 31 31 ASP H H 31 8.148 8.148 7.683 0.465 18300 837 1 7 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.867 2.179 18300 838 1 7 . 1 1 32 32 GLY H H 32 8.459 8.459 8.362 0.097 18300 839 1 7 . 1 1 33 33 THR HA H 33 4.835 4.835 5.172 -0.337 18300 840 1 7 . 1 1 33 33 THR CA C 33 61.752 61.752 61.024 0.728 18300 841 1 7 . 1 1 33 33 THR CB C 33 71.796 71.796 71.694 0.102 18300 842 1 7 . 1 1 33 33 THR H H 33 8.667 8.667 8.142 0.525 18300 843 1 7 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.298 -0.169 18300 844 1 7 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.262 -2.913 18300 845 1 7 . 1 1 34 34 CYS CB C 34 42.033 42.033 26.000 16.033 18300 846 1 7 . 1 1 34 34 CYS H H 34 8.253 8.253 8.623 -0.370 18300 847 1 7 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.811 0.045 18300 848 1 7 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.023 0.702 18300 849 1 7 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.706 -0.224 18300 850 1 7 . 1 1 35 35 TYR H H 35 9.299 9.299 9.038 0.261 18300 851 1 7 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.466 -0.639 18300 852 1 7 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.945 0.296 18300 853 1 7 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.802 -0.707 18300 854 1 7 . 1 1 36 36 TYR H H 36 8.548 8.548 8.855 -0.307 18300 855 1 8 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.317 -0.972 18300 856 1 8 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.745 -1.260 18300 857 1 8 . 1 1 3 3 CYS CB C 3 43.302 43.302 30.706 12.596 18300 858 1 8 . 1 1 3 3 CYS H H 3 7.453 7.453 7.586 -0.133 18300 859 1 8 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.737 -0.168 18300 860 1 8 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.706 -0.006 18300 861 1 8 . 1 1 4 4 ALA CB C 4 23.045 23.045 21.128 1.917 18300 862 1 8 . 1 1 4 4 ALA H H 4 8.479 8.479 8.319 0.160 18300 863 1 8 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.803 -0.224 18300 864 1 8 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.028 0.482 18300 865 1 8 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.396 -0.531 18300 866 1 8 . 1 1 5 5 PHE H H 5 7.862 7.862 7.515 0.347 18300 867 1 8 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.003 -0.362 18300 868 1 8 . 1 1 6 6 GLU CA C 6 57.762 57.762 58.262 -0.500 18300 869 1 8 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.715 -1.820 18300 870 1 8 . 1 1 6 6 GLU H H 6 8.271 8.271 8.640 -0.369 18300 871 1 8 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.883 0.048 18300 872 1 8 . 1 1 7 7 GLY H H 7 9.358 9.358 8.580 0.778 18300 873 1 8 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.622 0.010 18300 874 1 8 . 1 1 8 8 GLU CA C 8 53.905 53.905 54.350 -0.445 18300 875 1 8 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.149 2.523 18300 876 1 8 . 1 1 8 8 GLU H H 8 7.811 7.811 7.645 0.166 18300 877 1 8 . 1 1 9 9 SER HA H 9 4.969 4.969 5.116 -0.147 18300 878 1 8 . 1 1 9 9 SER CA C 9 59.134 59.134 58.353 0.781 18300 879 1 8 . 1 1 9 9 SER CB C 9 64.097 64.097 64.485 -0.388 18300 880 1 8 . 1 1 9 9 SER H H 9 8.309 8.309 8.309 0.000 18300 881 1 8 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.810 0.577 18300 882 1 8 . 1 1 10 10 CYS CA C 10 52.922 52.922 56.950 -4.029 18300 883 1 8 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.742 21.269 18300 884 1 8 . 1 1 10 10 CYS H H 10 8.540 8.540 9.249 -0.709 18300 885 1 8 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.175 0.210 18300 886 1 8 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.556 0.371 18300 887 1 8 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.435 2.408 18300 888 1 8 . 1 1 11 11 ASN H H 11 8.727 8.727 8.466 0.261 18300 889 1 8 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.899 -0.249 18300 890 1 8 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.942 1.474 18300 891 1 8 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.476 0.340 18300 892 1 8 . 1 1 12 12 VAL H H 12 8.498 8.498 8.544 -0.046 18300 893 1 8 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.237 0.036 18300 894 1 8 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.319 -3.320 18300 895 1 8 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.606 0.629 18300 896 1 8 . 1 1 13 13 GLN H H 13 7.749 7.749 7.688 0.061 18300 897 1 8 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.687 0.145 18300 898 1 8 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.685 0.511 18300 899 1 8 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.049 2.088 18300 900 1 8 . 1 1 14 14 PHE H H 14 8.178 8.178 6.840 1.338 18300 901 1 8 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.144 -0.323 18300 902 1 8 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.210 2.236 18300 903 1 8 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.742 -1.711 18300 904 1 8 . 1 1 15 15 TYR H H 15 8.605 8.605 7.541 1.064 18300 905 1 8 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.494 -0.227 18300 906 1 8 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.139 0.235 18300 907 1 8 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.453 -1.460 18300 908 1 8 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.640 0.201 18300 909 1 8 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.396 -2.501 18300 910 1 8 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.242 12.423 18300 911 1 8 . 1 1 17 17 CYS H H 17 8.138 8.138 8.296 -0.158 18300 912 1 8 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.685 -0.169 18300 913 1 8 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.242 -4.241 18300 914 1 8 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.656 13.053 18300 915 1 8 . 1 1 18 18 CYS H H 18 9.645 9.645 8.684 0.961 18300 916 1 8 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.498 -0.032 18300 917 1 8 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.930 0.086 18300 918 1 8 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.447 -0.355 18300 919 1 8 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.334 0.482 18300 920 1 8 . 1 1 20 20 GLY H H 20 8.510 8.510 8.752 -0.242 18300 921 1 8 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.418 0.186 18300 922 1 8 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.444 -1.534 18300 923 1 8 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.260 0.665 18300 924 1 8 . 1 1 21 21 LEU H H 21 7.616 7.616 7.992 -0.376 18300 925 1 8 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.253 2.027 18300 926 1 8 . 1 1 22 22 GLY H H 22 8.351 8.351 7.915 0.436 18300 927 1 8 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.693 -0.766 18300 928 1 8 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.237 -2.473 18300 929 1 8 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.856 -1.596 18300 930 1 8 . 1 1 23 23 LEU H H 23 7.695 7.695 7.778 -0.083 18300 931 1 8 . 1 1 24 24 THR HA H 24 4.370 4.370 4.623 -0.253 18300 932 1 8 . 1 1 24 24 THR CA C 24 60.616 60.616 60.795 -0.179 18300 933 1 8 . 1 1 24 24 THR CB C 24 70.621 70.621 71.768 -1.147 18300 934 1 8 . 1 1 24 24 THR H H 24 9.043 9.043 8.856 0.187 18300 935 1 8 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.219 -0.522 18300 936 1 8 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.073 -3.245 18300 937 1 8 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.178 13.211 18300 938 1 8 . 1 1 25 25 CYS H H 25 8.099 8.099 8.793 -0.694 18300 939 1 8 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.556 0.072 18300 940 1 8 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.044 -2.053 18300 941 1 8 . 1 1 26 26 ILE CB C 26 41.001 41.001 41.007 -0.006 18300 942 1 8 . 1 1 26 26 ILE H H 26 8.555 8.555 8.994 -0.439 18300 943 1 8 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.370 0.173 18300 944 1 8 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.997 0.333 18300 945 1 8 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.318 1.532 18300 946 1 8 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.240 1.835 18300 947 1 8 . 1 1 28 28 GLY H H 28 7.880 7.880 8.378 -0.498 18300 948 1 8 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.983 0.038 18300 949 1 8 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.935 -1.028 18300 950 1 8 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.645 0.045 18300 951 1 8 . 1 1 29 29 ASN H H 29 7.996 7.996 7.775 0.221 18300 952 1 8 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.522 -0.168 18300 953 1 8 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.664 -0.144 18300 954 1 8 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.751 1.983 18300 955 1 8 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.935 0.926 18300 956 1 8 . 1 1 31 31 ASP CA C 31 52.483 52.483 54.900 -2.417 18300 957 1 8 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.563 -2.535 18300 958 1 8 . 1 1 31 31 ASP H H 31 8.148 8.148 7.711 0.437 18300 959 1 8 . 1 1 32 32 GLY CA C 32 47.046 47.046 45.035 2.011 18300 960 1 8 . 1 1 32 32 GLY H H 32 8.459 8.459 8.494 -0.035 18300 961 1 8 . 1 1 33 33 THR HA H 33 4.835 4.835 4.880 -0.045 18300 962 1 8 . 1 1 33 33 THR CA C 33 61.752 61.752 61.317 0.435 18300 963 1 8 . 1 1 33 33 THR CB C 33 71.796 71.796 70.082 1.714 18300 964 1 8 . 1 1 33 33 THR H H 33 8.667 8.667 8.736 -0.069 18300 965 1 8 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.168 -0.039 18300 966 1 8 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.343 -2.994 18300 967 1 8 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.814 16.219 18300 968 1 8 . 1 1 34 34 CYS H H 34 8.253 8.253 8.508 -0.255 18300 969 1 8 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.815 0.041 18300 970 1 8 . 1 1 35 35 TYR CA C 35 56.725 56.725 55.979 0.746 18300 971 1 8 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.535 -0.054 18300 972 1 8 . 1 1 35 35 TYR H H 35 9.299 9.299 9.044 0.254 18300 973 1 8 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.624 -0.797 18300 974 1 8 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.806 0.436 18300 975 1 8 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.895 -0.800 18300 976 1 8 . 1 1 36 36 TYR H H 36 8.548 8.548 8.852 -0.304 18300 977 1 9 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.297 -0.952 18300 978 1 9 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.413 -0.928 18300 979 1 9 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.519 13.783 18300 980 1 9 . 1 1 3 3 CYS H H 3 7.453 7.453 7.699 -0.246 18300 981 1 9 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.686 -0.117 18300 982 1 9 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.670 0.030 18300 983 1 9 . 1 1 4 4 ALA CB C 4 23.045 23.045 21.073 1.972 18300 984 1 9 . 1 1 4 4 ALA H H 4 8.479 8.479 8.360 0.119 18300 985 1 9 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.773 -0.194 18300 986 1 9 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.121 0.389 18300 987 1 9 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.431 -0.566 18300 988 1 9 . 1 1 5 5 PHE H H 5 7.862 7.862 7.551 0.311 18300 989 1 9 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.118 -0.477 18300 990 1 9 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.920 -0.159 18300 991 1 9 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.742 -1.847 18300 992 1 9 . 1 1 6 6 GLU H H 6 8.271 8.271 8.583 -0.312 18300 993 1 9 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.953 -0.022 18300 994 1 9 . 1 1 7 7 GLY H H 7 9.358 9.358 8.492 0.866 18300 995 1 9 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.610 0.022 18300 996 1 9 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.718 0.187 18300 997 1 9 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.711 1.961 18300 998 1 9 . 1 1 8 8 GLU H H 8 7.811 7.811 7.625 0.186 18300 999 1 9 . 1 1 9 9 SER HA H 9 4.969 4.969 5.338 -0.369 18300 1000 1 9 . 1 1 9 9 SER CA C 9 59.134 59.134 57.532 1.602 18300 1001 1 9 . 1 1 9 9 SER CB C 9 64.097 64.097 64.047 0.050 18300 1002 1 9 . 1 1 9 9 SER H H 9 8.309 8.309 8.389 -0.080 18300 1003 1 9 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.875 0.512 18300 1004 1 9 . 1 1 10 10 CYS CA C 10 52.922 52.922 56.526 -3.604 18300 1005 1 9 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.120 20.891 18300 1006 1 9 . 1 1 10 10 CYS H H 10 8.540 8.540 9.013 -0.473 18300 1007 1 9 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.109 0.276 18300 1008 1 9 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.397 0.530 18300 1009 1 9 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.228 2.615 18300 1010 1 9 . 1 1 11 11 ASN H H 11 8.727 8.727 8.476 0.251 18300 1011 1 9 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.945 -0.295 18300 1012 1 9 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.275 2.141 18300 1013 1 9 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.026 0.790 18300 1014 1 9 . 1 1 12 12 VAL H H 12 8.498 8.498 8.424 0.074 18300 1015 1 9 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.291 -0.018 18300 1016 1 9 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.020 -3.021 18300 1017 1 9 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.913 0.322 18300 1018 1 9 . 1 1 13 13 GLN H H 13 7.749 7.749 7.658 0.091 18300 1019 1 9 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.740 0.092 18300 1020 1 9 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.791 0.405 18300 1021 1 9 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.590 1.547 18300 1022 1 9 . 1 1 14 14 PHE H H 14 8.178 8.178 6.913 1.265 18300 1023 1 9 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.157 -0.336 18300 1024 1 9 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.215 2.231 18300 1025 1 9 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.819 -1.788 18300 1026 1 9 . 1 1 15 15 TYR H H 15 8.605 8.605 7.522 1.083 18300 1027 1 9 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.480 -0.213 18300 1028 1 9 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.113 0.261 18300 1029 1 9 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.474 -1.481 18300 1030 1 9 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.673 0.168 18300 1031 1 9 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.160 -2.265 18300 1032 1 9 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.367 12.298 18300 1033 1 9 . 1 1 17 17 CYS H H 17 8.138 8.138 8.267 -0.129 18300 1034 1 9 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.680 -0.164 18300 1035 1 9 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.191 -4.190 18300 1036 1 9 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.598 13.111 18300 1037 1 9 . 1 1 18 18 CYS H H 18 9.645 9.645 8.686 0.959 18300 1038 1 9 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.499 -0.033 18300 1039 1 9 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.901 0.115 18300 1040 1 9 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.432 -0.340 18300 1041 1 9 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.286 0.530 18300 1042 1 9 . 1 1 20 20 GLY H H 20 8.510 8.510 8.753 -0.243 18300 1043 1 9 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.429 0.175 18300 1044 1 9 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.404 -1.494 18300 1045 1 9 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.117 0.807 18300 1046 1 9 . 1 1 21 21 LEU H H 21 7.616 7.616 7.982 -0.366 18300 1047 1 9 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.363 1.917 18300 1048 1 9 . 1 1 22 22 GLY H H 22 8.351 8.351 8.011 0.340 18300 1049 1 9 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.656 -0.729 18300 1050 1 9 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.316 -2.552 18300 1051 1 9 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.354 -1.094 18300 1052 1 9 . 1 1 23 23 LEU H H 23 7.695 7.695 7.860 -0.165 18300 1053 1 9 . 1 1 24 24 THR HA H 24 4.370 4.370 4.631 -0.261 18300 1054 1 9 . 1 1 24 24 THR CA C 24 60.616 60.616 60.479 0.137 18300 1055 1 9 . 1 1 24 24 THR CB C 24 70.621 70.621 71.556 -0.935 18300 1056 1 9 . 1 1 24 24 THR H H 24 9.043 9.043 8.799 0.244 18300 1057 1 9 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.264 -0.567 18300 1058 1 9 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.086 -3.258 18300 1059 1 9 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.345 13.044 18300 1060 1 9 . 1 1 25 25 CYS H H 25 8.099 8.099 8.832 -0.733 18300 1061 1 9 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.517 0.111 18300 1062 1 9 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.211 -2.220 18300 1063 1 9 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.901 0.100 18300 1064 1 9 . 1 1 26 26 ILE H H 26 8.555 8.555 8.760 -0.205 18300 1065 1 9 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.411 0.132 18300 1066 1 9 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.338 0.992 18300 1067 1 9 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.425 1.425 18300 1068 1 9 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.087 1.988 18300 1069 1 9 . 1 1 28 28 GLY H H 28 7.880 7.880 8.321 -0.441 18300 1070 1 9 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.974 0.047 18300 1071 1 9 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.720 -0.813 18300 1072 1 9 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.774 -0.084 18300 1073 1 9 . 1 1 29 29 ASN H H 29 7.996 7.996 7.826 0.170 18300 1074 1 9 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.669 -0.315 18300 1075 1 9 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.627 -0.107 18300 1076 1 9 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.485 2.249 18300 1077 1 9 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.890 0.971 18300 1078 1 9 . 1 1 31 31 ASP CA C 31 52.483 52.483 52.833 -0.350 18300 1079 1 9 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.197 -2.169 18300 1080 1 9 . 1 1 31 31 ASP H H 31 8.148 8.148 7.972 0.176 18300 1081 1 9 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.896 2.150 18300 1082 1 9 . 1 1 32 32 GLY H H 32 8.459 8.459 8.268 0.191 18300 1083 1 9 . 1 1 33 33 THR HA H 33 4.835 4.835 5.190 -0.355 18300 1084 1 9 . 1 1 33 33 THR CA C 33 61.752 61.752 61.014 0.738 18300 1085 1 9 . 1 1 33 33 THR CB C 33 71.796 71.796 71.804 -0.008 18300 1086 1 9 . 1 1 33 33 THR H H 33 8.667 8.667 8.179 0.488 18300 1087 1 9 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.209 -0.080 18300 1088 1 9 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.294 -2.945 18300 1089 1 9 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.940 16.093 18300 1090 1 9 . 1 1 34 34 CYS H H 34 8.253 8.253 8.631 -0.378 18300 1091 1 9 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.810 0.046 18300 1092 1 9 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.078 0.647 18300 1093 1 9 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.766 -0.284 18300 1094 1 9 . 1 1 35 35 TYR H H 35 9.299 9.299 9.039 0.260 18300 1095 1 9 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.432 -0.605 18300 1096 1 9 . 1 1 36 36 TYR CA C 36 58.241 58.241 58.000 0.241 18300 1097 1 9 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.825 -0.730 18300 1098 1 9 . 1 1 36 36 TYR H H 36 8.548 8.548 8.860 -0.312 18300 1099 1 10 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.178 -0.833 18300 1100 1 10 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.689 -1.204 18300 1101 1 10 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.256 14.046 18300 1102 1 10 . 1 1 3 3 CYS H H 3 7.453 7.453 7.604 -0.151 18300 1103 1 10 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.663 -0.094 18300 1104 1 10 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.659 0.041 18300 1105 1 10 . 1 1 4 4 ALA CB C 4 23.045 23.045 21.122 1.923 18300 1106 1 10 . 1 1 4 4 ALA H H 4 8.479 8.479 8.321 0.158 18300 1107 1 10 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.790 -0.211 18300 1108 1 10 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.012 0.498 18300 1109 1 10 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.428 -0.563 18300 1110 1 10 . 1 1 5 5 PHE H H 5 7.862 7.862 7.505 0.357 18300 1111 1 10 . 1 1 6 6 GLU HA H 6 3.641 3.641 3.999 -0.358 18300 1112 1 10 . 1 1 6 6 GLU CA C 6 57.762 57.762 58.238 -0.476 18300 1113 1 10 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.655 -1.760 18300 1114 1 10 . 1 1 6 6 GLU H H 6 8.271 8.271 8.642 -0.371 18300 1115 1 10 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.849 0.082 18300 1116 1 10 . 1 1 7 7 GLY H H 7 9.358 9.358 8.550 0.808 18300 1117 1 10 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.720 -0.088 18300 1118 1 10 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.993 -0.089 18300 1119 1 10 . 1 1 8 8 GLU CB C 8 33.672 33.672 30.945 2.727 18300 1120 1 10 . 1 1 8 8 GLU H H 8 7.811 7.811 7.659 0.152 18300 1121 1 10 . 1 1 9 9 SER HA H 9 4.969 4.969 5.305 -0.336 18300 1122 1 10 . 1 1 9 9 SER CA C 9 59.134 59.134 56.559 2.575 18300 1123 1 10 . 1 1 9 9 SER CB C 9 64.097 64.097 64.513 -0.416 18300 1124 1 10 . 1 1 9 9 SER H H 9 8.309 8.309 8.354 -0.045 18300 1125 1 10 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.845 0.542 18300 1126 1 10 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.153 -4.231 18300 1127 1 10 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.194 20.817 18300 1128 1 10 . 1 1 10 10 CYS H H 10 8.540 8.540 8.959 -0.419 18300 1129 1 10 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.109 0.276 18300 1130 1 10 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.402 0.525 18300 1131 1 10 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.228 2.615 18300 1132 1 10 . 1 1 11 11 ASN H H 11 8.727 8.727 8.498 0.229 18300 1133 1 10 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.940 -0.290 18300 1134 1 10 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.348 2.068 18300 1135 1 10 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.048 0.768 18300 1136 1 10 . 1 1 12 12 VAL H H 12 8.498 8.498 8.435 0.063 18300 1137 1 10 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.287 -0.014 18300 1138 1 10 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.049 -3.050 18300 1139 1 10 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.895 0.340 18300 1140 1 10 . 1 1 13 13 GLN H H 13 7.749 7.749 7.673 0.076 18300 1141 1 10 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.735 0.097 18300 1142 1 10 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.806 0.390 18300 1143 1 10 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.568 1.569 18300 1144 1 10 . 1 1 14 14 PHE H H 14 8.178 8.178 6.920 1.258 18300 1145 1 10 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.142 -0.321 18300 1146 1 10 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.200 2.246 18300 1147 1 10 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.813 -1.782 18300 1148 1 10 . 1 1 15 15 TYR H H 15 8.605 8.605 7.524 1.081 18300 1149 1 10 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.478 -0.211 18300 1150 1 10 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.132 0.242 18300 1151 1 10 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.492 -1.499 18300 1152 1 10 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.661 0.180 18300 1153 1 10 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.195 -2.300 18300 1154 1 10 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.324 12.341 18300 1155 1 10 . 1 1 17 17 CYS H H 17 8.138 8.138 8.290 -0.152 18300 1156 1 10 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.680 -0.164 18300 1157 1 10 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.211 -4.210 18300 1158 1 10 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.621 13.088 18300 1159 1 10 . 1 1 18 18 CYS H H 18 9.645 9.645 8.681 0.964 18300 1160 1 10 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.497 -0.031 18300 1161 1 10 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.910 0.106 18300 1162 1 10 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.428 -0.336 18300 1163 1 10 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.197 0.619 18300 1164 1 10 . 1 1 20 20 GLY H H 20 8.510 8.510 8.703 -0.193 18300 1165 1 10 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.403 0.201 18300 1166 1 10 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.139 -1.229 18300 1167 1 10 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.210 0.714 18300 1168 1 10 . 1 1 21 21 LEU H H 21 7.616 7.616 8.037 -0.421 18300 1169 1 10 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.241 2.039 18300 1170 1 10 . 1 1 22 22 GLY H H 22 8.351 8.351 7.886 0.465 18300 1171 1 10 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.660 -0.733 18300 1172 1 10 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.279 -2.514 18300 1173 1 10 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.521 -1.261 18300 1174 1 10 . 1 1 23 23 LEU H H 23 7.695 7.695 7.828 -0.133 18300 1175 1 10 . 1 1 24 24 THR HA H 24 4.370 4.370 4.635 -0.265 18300 1176 1 10 . 1 1 24 24 THR CA C 24 60.616 60.616 60.468 0.148 18300 1177 1 10 . 1 1 24 24 THR CB C 24 70.621 70.621 71.563 -0.942 18300 1178 1 10 . 1 1 24 24 THR H H 24 9.043 9.043 8.825 0.218 18300 1179 1 10 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.233 -0.536 18300 1180 1 10 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.084 -3.256 18300 1181 1 10 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.315 13.074 18300 1182 1 10 . 1 1 25 25 CYS H H 25 8.099 8.099 8.831 -0.732 18300 1183 1 10 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.520 0.108 18300 1184 1 10 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.165 -2.174 18300 1185 1 10 . 1 1 26 26 ILE CB C 26 41.001 41.001 41.031 -0.030 18300 1186 1 10 . 1 1 26 26 ILE H H 26 8.555 8.555 8.711 -0.156 18300 1187 1 10 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.399 0.144 18300 1188 1 10 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.399 0.931 18300 1189 1 10 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.456 1.395 18300 1190 1 10 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.080 1.995 18300 1191 1 10 . 1 1 28 28 GLY H H 28 7.880 7.880 8.323 -0.443 18300 1192 1 10 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.973 0.048 18300 1193 1 10 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.730 -0.823 18300 1194 1 10 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.784 -0.094 18300 1195 1 10 . 1 1 29 29 ASN H H 29 7.996 7.996 7.826 0.170 18300 1196 1 10 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.665 -0.311 18300 1197 1 10 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.636 -0.116 18300 1198 1 10 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.480 2.254 18300 1199 1 10 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.868 0.993 18300 1200 1 10 . 1 1 31 31 ASP CA C 31 52.483 52.483 52.863 -0.380 18300 1201 1 10 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.172 -2.144 18300 1202 1 10 . 1 1 31 31 ASP H H 31 8.148 8.148 7.976 0.172 18300 1203 1 10 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.872 2.174 18300 1204 1 10 . 1 1 32 32 GLY H H 32 8.459 8.459 8.268 0.191 18300 1205 1 10 . 1 1 33 33 THR HA H 33 4.835 4.835 5.033 -0.198 18300 1206 1 10 . 1 1 33 33 THR CA C 33 61.752 61.752 60.844 0.908 18300 1207 1 10 . 1 1 33 33 THR CB C 33 71.796 71.796 71.312 0.484 18300 1208 1 10 . 1 1 33 33 THR H H 33 8.667 8.667 8.233 0.434 18300 1209 1 10 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.093 0.036 18300 1210 1 10 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.294 -2.945 18300 1211 1 10 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.814 16.219 18300 1212 1 10 . 1 1 34 34 CYS H H 34 8.253 8.253 8.645 -0.392 18300 1213 1 10 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.806 0.050 18300 1214 1 10 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.088 0.637 18300 1215 1 10 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.738 -0.256 18300 1216 1 10 . 1 1 35 35 TYR H H 35 9.299 9.299 9.047 0.252 18300 1217 1 10 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.519 -0.692 18300 1218 1 10 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.955 0.287 18300 1219 1 10 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.842 -0.747 18300 1220 1 10 . 1 1 36 36 TYR H H 36 8.548 8.548 8.869 -0.321 18300 1221 1 11 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.278 -0.933 18300 1222 1 11 . 1 1 3 3 CYS CA C 3 53.485 53.485 55.030 -1.545 18300 1223 1 11 . 1 1 3 3 CYS CB C 3 43.302 43.302 30.680 12.622 18300 1224 1 11 . 1 1 3 3 CYS H H 3 7.453 7.453 7.461 -0.008 18300 1225 1 11 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.726 -0.157 18300 1226 1 11 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.694 0.006 18300 1227 1 11 . 1 1 4 4 ALA CB C 4 23.045 23.045 21.082 1.963 18300 1228 1 11 . 1 1 4 4 ALA H H 4 8.479 8.479 8.414 0.065 18300 1229 1 11 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.779 -0.200 18300 1230 1 11 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.097 0.413 18300 1231 1 11 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.426 -0.561 18300 1232 1 11 . 1 1 5 5 PHE H H 5 7.862 7.862 7.548 0.314 18300 1233 1 11 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.005 -0.364 18300 1234 1 11 . 1 1 6 6 GLU CA C 6 57.762 57.762 58.006 -0.244 18300 1235 1 11 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.711 -1.816 18300 1236 1 11 . 1 1 6 6 GLU H H 6 8.271 8.271 8.597 -0.326 18300 1237 1 11 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.939 -0.008 18300 1238 1 11 . 1 1 7 7 GLY H H 7 9.358 9.358 8.501 0.857 18300 1239 1 11 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.714 -0.082 18300 1240 1 11 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.706 0.199 18300 1241 1 11 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.238 2.434 18300 1242 1 11 . 1 1 8 8 GLU H H 8 7.811 7.811 7.688 0.123 18300 1243 1 11 . 1 1 9 9 SER HA H 9 4.969 4.969 5.463 -0.494 18300 1244 1 11 . 1 1 9 9 SER CA C 9 59.134 59.134 56.580 2.554 18300 1245 1 11 . 1 1 9 9 SER CB C 9 64.097 64.097 64.629 -0.532 18300 1246 1 11 . 1 1 9 9 SER H H 9 8.309 8.309 8.355 -0.046 18300 1247 1 11 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.826 0.561 18300 1248 1 11 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.276 -4.354 18300 1249 1 11 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.242 20.769 18300 1250 1 11 . 1 1 10 10 CYS H H 10 8.540 8.540 8.997 -0.457 18300 1251 1 11 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.135 0.250 18300 1252 1 11 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.467 0.460 18300 1253 1 11 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.074 2.769 18300 1254 1 11 . 1 1 11 11 ASN H H 11 8.727 8.727 8.519 0.208 18300 1255 1 11 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.911 -0.261 18300 1256 1 11 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.629 1.788 18300 1257 1 11 . 1 1 12 12 VAL CB C 12 31.816 31.816 30.980 0.836 18300 1258 1 11 . 1 1 12 12 VAL H H 12 8.498 8.498 8.473 0.025 18300 1259 1 11 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.223 0.050 18300 1260 1 11 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.242 -3.243 18300 1261 1 11 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.898 0.337 18300 1262 1 11 . 1 1 13 13 GLN H H 13 7.749 7.749 7.652 0.097 18300 1263 1 11 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.688 0.144 18300 1264 1 11 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.759 0.437 18300 1265 1 11 . 1 1 14 14 PHE CB C 14 42.137 42.137 39.981 2.156 18300 1266 1 11 . 1 1 14 14 PHE H H 14 8.178 8.178 6.839 1.339 18300 1267 1 11 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.106 -0.285 18300 1268 1 11 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.224 2.222 18300 1269 1 11 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.636 -1.605 18300 1270 1 11 . 1 1 15 15 TYR H H 15 8.605 8.605 7.535 1.070 18300 1271 1 11 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.488 -0.221 18300 1272 1 11 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.115 0.259 18300 1273 1 11 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.469 -1.476 18300 1274 1 11 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.680 0.161 18300 1275 1 11 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.195 -2.300 18300 1276 1 11 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.347 12.318 18300 1277 1 11 . 1 1 17 17 CYS H H 17 8.138 8.138 8.279 -0.141 18300 1278 1 11 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.684 -0.168 18300 1279 1 11 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.192 -4.191 18300 1280 1 11 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.600 13.109 18300 1281 1 11 . 1 1 18 18 CYS H H 18 9.645 9.645 8.689 0.956 18300 1282 1 11 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.499 -0.033 18300 1283 1 11 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.926 0.090 18300 1284 1 11 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.418 -0.326 18300 1285 1 11 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.181 0.635 18300 1286 1 11 . 1 1 20 20 GLY H H 20 8.510 8.510 8.703 -0.193 18300 1287 1 11 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.413 0.191 18300 1288 1 11 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.106 -1.196 18300 1289 1 11 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.201 0.723 18300 1290 1 11 . 1 1 21 21 LEU H H 21 7.616 7.616 8.068 -0.452 18300 1291 1 11 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.270 2.010 18300 1292 1 11 . 1 1 22 22 GLY H H 22 8.351 8.351 7.903 0.448 18300 1293 1 11 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.699 -0.772 18300 1294 1 11 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.402 -2.638 18300 1295 1 11 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.459 -1.199 18300 1296 1 11 . 1 1 23 23 LEU H H 23 7.695 7.695 7.826 -0.131 18300 1297 1 11 . 1 1 24 24 THR HA H 24 4.370 4.370 4.609 -0.239 18300 1298 1 11 . 1 1 24 24 THR CA C 24 60.616 60.616 60.194 0.423 18300 1299 1 11 . 1 1 24 24 THR CB C 24 70.621 70.621 71.920 -1.299 18300 1300 1 11 . 1 1 24 24 THR H H 24 9.043 9.043 8.855 0.188 18300 1301 1 11 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.188 -0.491 18300 1302 1 11 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.357 -3.529 18300 1303 1 11 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.472 12.917 18300 1304 1 11 . 1 1 25 25 CYS H H 25 8.099 8.099 8.785 -0.686 18300 1305 1 11 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.513 0.115 18300 1306 1 11 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.216 -2.225 18300 1307 1 11 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.907 0.094 18300 1308 1 11 . 1 1 26 26 ILE H H 26 8.555 8.555 8.775 -0.220 18300 1309 1 11 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.409 0.134 18300 1310 1 11 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.342 0.988 18300 1311 1 11 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.432 1.418 18300 1312 1 11 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.145 1.930 18300 1313 1 11 . 1 1 28 28 GLY H H 28 7.880 7.880 8.393 -0.513 18300 1314 1 11 . 1 1 29 29 ASN HA H 29 5.021 5.021 5.015 0.006 18300 1315 1 11 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.795 -0.888 18300 1316 1 11 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.651 0.039 18300 1317 1 11 . 1 1 29 29 ASN H H 29 7.996 7.996 7.765 0.231 18300 1318 1 11 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.546 -0.192 18300 1319 1 11 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.603 -0.083 18300 1320 1 11 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.799 1.935 18300 1321 1 11 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.880 0.981 18300 1322 1 11 . 1 1 31 31 ASP CA C 31 52.483 52.483 54.907 -2.424 18300 1323 1 11 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.600 -2.572 18300 1324 1 11 . 1 1 31 31 ASP H H 31 8.148 8.148 7.697 0.451 18300 1325 1 11 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.743 2.303 18300 1326 1 11 . 1 1 32 32 GLY H H 32 8.459 8.459 8.309 0.150 18300 1327 1 11 . 1 1 33 33 THR HA H 33 4.835 4.835 5.099 -0.264 18300 1328 1 11 . 1 1 33 33 THR CA C 33 61.752 61.752 60.684 1.068 18300 1329 1 11 . 1 1 33 33 THR CB C 33 71.796 71.796 71.519 0.277 18300 1330 1 11 . 1 1 33 33 THR H H 33 8.667 8.667 8.210 0.457 18300 1331 1 11 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.202 -0.073 18300 1332 1 11 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.233 -2.884 18300 1333 1 11 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.842 16.191 18300 1334 1 11 . 1 1 34 34 CYS H H 34 8.253 8.253 8.675 -0.422 18300 1335 1 11 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.805 0.051 18300 1336 1 11 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.090 0.635 18300 1337 1 11 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.789 -0.307 18300 1338 1 11 . 1 1 35 35 TYR H H 35 9.299 9.299 9.041 0.258 18300 1339 1 11 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.423 -0.596 18300 1340 1 11 . 1 1 36 36 TYR CA C 36 58.241 58.241 58.024 0.217 18300 1341 1 11 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.788 -0.693 18300 1342 1 11 . 1 1 36 36 TYR H H 36 8.548 8.548 8.866 -0.318 18300 1343 1 12 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.240 -0.895 18300 1344 1 12 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.109 -0.624 18300 1345 1 12 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.723 13.579 18300 1346 1 12 . 1 1 3 3 CYS H H 3 7.453 7.453 7.496 -0.043 18300 1347 1 12 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.558 0.011 18300 1348 1 12 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.695 0.005 18300 1349 1 12 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.831 2.214 18300 1350 1 12 . 1 1 4 4 ALA H H 4 8.479 8.479 8.084 0.395 18300 1351 1 12 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.481 0.098 18300 1352 1 12 . 1 1 5 5 PHE CA C 5 55.510 55.510 56.764 -1.254 18300 1353 1 12 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.488 -0.623 18300 1354 1 12 . 1 1 5 5 PHE H H 5 7.862 7.862 8.488 -0.626 18300 1355 1 12 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.103 -0.462 18300 1356 1 12 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.422 0.340 18300 1357 1 12 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.979 -2.084 18300 1358 1 12 . 1 1 6 6 GLU H H 6 8.271 8.271 8.464 -0.193 18300 1359 1 12 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.985 -0.054 18300 1360 1 12 . 1 1 7 7 GLY H H 7 9.358 9.358 8.531 0.827 18300 1361 1 12 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.702 -0.070 18300 1362 1 12 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.953 -0.048 18300 1363 1 12 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.620 2.052 18300 1364 1 12 . 1 1 8 8 GLU H H 8 7.811 7.811 7.788 0.023 18300 1365 1 12 . 1 1 9 9 SER HA H 9 4.969 4.969 5.436 -0.467 18300 1366 1 12 . 1 1 9 9 SER CA C 9 59.134 59.134 57.247 1.887 18300 1367 1 12 . 1 1 9 9 SER CB C 9 64.097 64.097 64.537 -0.440 18300 1368 1 12 . 1 1 9 9 SER H H 9 8.309 8.309 8.418 -0.109 18300 1369 1 12 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.923 0.464 18300 1370 1 12 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.191 -4.269 18300 1371 1 12 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.652 21.359 18300 1372 1 12 . 1 1 10 10 CYS H H 10 8.540 8.540 9.010 -0.470 18300 1373 1 12 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.140 0.245 18300 1374 1 12 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.579 0.348 18300 1375 1 12 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.532 2.311 18300 1376 1 12 . 1 1 11 11 ASN H H 11 8.727 8.727 8.470 0.257 18300 1377 1 12 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.932 -0.282 18300 1378 1 12 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.905 1.511 18300 1379 1 12 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.536 0.280 18300 1380 1 12 . 1 1 12 12 VAL H H 12 8.498 8.498 8.488 0.011 18300 1381 1 12 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.295 -0.022 18300 1382 1 12 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.135 -3.136 18300 1383 1 12 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.561 0.674 18300 1384 1 12 . 1 1 13 13 GLN H H 13 7.749 7.749 7.717 0.032 18300 1385 1 12 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.730 0.102 18300 1386 1 12 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.755 0.441 18300 1387 1 12 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.587 1.550 18300 1388 1 12 . 1 1 14 14 PHE H H 14 8.178 8.178 6.918 1.260 18300 1389 1 12 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.170 -0.349 18300 1390 1 12 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.074 2.372 18300 1391 1 12 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.721 -1.690 18300 1392 1 12 . 1 1 15 15 TYR H H 15 8.605 8.605 7.524 1.081 18300 1393 1 12 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.443 -0.176 18300 1394 1 12 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.079 0.295 18300 1395 1 12 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.455 -1.462 18300 1396 1 12 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.574 0.267 18300 1397 1 12 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.084 -2.189 18300 1398 1 12 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.309 12.356 18300 1399 1 12 . 1 1 17 17 CYS H H 17 8.138 8.138 8.229 -0.091 18300 1400 1 12 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.598 -0.082 18300 1401 1 12 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.129 -4.128 18300 1402 1 12 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.447 13.262 18300 1403 1 12 . 1 1 18 18 CYS H H 18 9.645 9.645 8.549 1.096 18300 1404 1 12 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.487 -0.021 18300 1405 1 12 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.828 0.188 18300 1406 1 12 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.428 -0.336 18300 1407 1 12 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.313 0.503 18300 1408 1 12 . 1 1 20 20 GLY H H 20 8.510 8.510 8.755 -0.245 18300 1409 1 12 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.438 0.166 18300 1410 1 12 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.368 -1.458 18300 1411 1 12 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.114 0.810 18300 1412 1 12 . 1 1 21 21 LEU H H 21 7.616 7.616 7.972 -0.356 18300 1413 1 12 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.380 1.900 18300 1414 1 12 . 1 1 22 22 GLY H H 22 8.351 8.351 8.014 0.337 18300 1415 1 12 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.666 -0.739 18300 1416 1 12 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.312 -2.547 18300 1417 1 12 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.405 -1.145 18300 1418 1 12 . 1 1 23 23 LEU H H 23 7.695 7.695 7.867 -0.172 18300 1419 1 12 . 1 1 24 24 THR HA H 24 4.370 4.370 4.662 -0.292 18300 1420 1 12 . 1 1 24 24 THR CA C 24 60.616 60.616 59.915 0.701 18300 1421 1 12 . 1 1 24 24 THR CB C 24 70.621 70.621 71.804 -1.183 18300 1422 1 12 . 1 1 24 24 THR H H 24 9.043 9.043 8.734 0.309 18300 1423 1 12 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.233 -0.536 18300 1424 1 12 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.131 -3.303 18300 1425 1 12 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.287 13.102 18300 1426 1 12 . 1 1 25 25 CYS H H 25 8.099 8.099 8.839 -0.740 18300 1427 1 12 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.522 0.106 18300 1428 1 12 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.220 -2.229 18300 1429 1 12 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.916 0.085 18300 1430 1 12 . 1 1 26 26 ILE H H 26 8.555 8.555 8.828 -0.273 18300 1431 1 12 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.413 0.130 18300 1432 1 12 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.363 0.967 18300 1433 1 12 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.431 1.419 18300 1434 1 12 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.141 1.934 18300 1435 1 12 . 1 1 28 28 GLY H H 28 7.880 7.880 8.375 -0.495 18300 1436 1 12 . 1 1 29 29 ASN HA H 29 5.021 5.021 5.028 -0.007 18300 1437 1 12 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.693 -0.785 18300 1438 1 12 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.681 0.009 18300 1439 1 12 . 1 1 29 29 ASN H H 29 7.996 7.996 7.752 0.244 18300 1440 1 12 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.572 -0.218 18300 1441 1 12 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.633 -0.113 18300 1442 1 12 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.929 1.805 18300 1443 1 12 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.922 0.939 18300 1444 1 12 . 1 1 31 31 ASP CA C 31 52.483 52.483 52.652 -0.169 18300 1445 1 12 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.847 -2.819 18300 1446 1 12 . 1 1 31 31 ASP H H 31 8.148 8.148 7.585 0.563 18300 1447 1 12 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.957 2.089 18300 1448 1 12 . 1 1 32 32 GLY H H 32 8.459 8.459 8.300 0.159 18300 1449 1 12 . 1 1 33 33 THR HA H 33 4.835 4.835 5.190 -0.355 18300 1450 1 12 . 1 1 33 33 THR CA C 33 61.752 61.752 60.725 1.027 18300 1451 1 12 . 1 1 33 33 THR CB C 33 71.796 71.796 71.466 0.330 18300 1452 1 12 . 1 1 33 33 THR H H 33 8.667 8.667 8.240 0.427 18300 1453 1 12 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.211 -0.082 18300 1454 1 12 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.072 -2.724 18300 1455 1 12 . 1 1 34 34 CYS CB C 34 42.033 42.033 26.023 16.010 18300 1456 1 12 . 1 1 34 34 CYS H H 34 8.253 8.253 8.689 -0.436 18300 1457 1 12 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.802 0.054 18300 1458 1 12 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.102 0.623 18300 1459 1 12 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.771 -0.289 18300 1460 1 12 . 1 1 35 35 TYR H H 35 9.299 9.299 9.034 0.265 18300 1461 1 12 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.479 -0.652 18300 1462 1 12 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.963 0.278 18300 1463 1 12 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.682 -0.587 18300 1464 1 12 . 1 1 36 36 TYR H H 36 8.548 8.548 8.868 -0.320 18300 1465 1 13 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.240 -0.895 18300 1466 1 13 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.118 -0.633 18300 1467 1 13 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.730 13.572 18300 1468 1 13 . 1 1 3 3 CYS H H 3 7.453 7.453 7.515 -0.062 18300 1469 1 13 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.559 0.010 18300 1470 1 13 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.696 0.004 18300 1471 1 13 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.826 2.219 18300 1472 1 13 . 1 1 4 4 ALA H H 4 8.479 8.479 8.073 0.406 18300 1473 1 13 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.480 0.099 18300 1474 1 13 . 1 1 5 5 PHE CA C 5 55.510 55.510 56.776 -1.266 18300 1475 1 13 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.486 -0.620 18300 1476 1 13 . 1 1 5 5 PHE H H 5 7.862 7.862 8.490 -0.628 18300 1477 1 13 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.105 -0.464 18300 1478 1 13 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.413 0.349 18300 1479 1 13 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.981 -2.086 18300 1480 1 13 . 1 1 6 6 GLU H H 6 8.271 8.271 8.464 -0.193 18300 1481 1 13 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.989 -0.058 18300 1482 1 13 . 1 1 7 7 GLY H H 7 9.358 9.358 8.533 0.825 18300 1483 1 13 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.691 -0.059 18300 1484 1 13 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.920 -0.015 18300 1485 1 13 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.781 1.891 18300 1486 1 13 . 1 1 8 8 GLU H H 8 7.811 7.811 7.748 0.063 18300 1487 1 13 . 1 1 9 9 SER HA H 9 4.969 4.969 5.360 -0.391 18300 1488 1 13 . 1 1 9 9 SER CA C 9 59.134 59.134 58.259 0.875 18300 1489 1 13 . 1 1 9 9 SER CB C 9 64.097 64.097 64.231 -0.134 18300 1490 1 13 . 1 1 9 9 SER H H 9 8.309 8.309 8.424 -0.115 18300 1491 1 13 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.881 0.506 18300 1492 1 13 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.013 -4.091 18300 1493 1 13 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.559 21.452 18300 1494 1 13 . 1 1 10 10 CYS H H 10 8.540 8.540 9.093 -0.553 18300 1495 1 13 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.141 0.244 18300 1496 1 13 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.569 0.358 18300 1497 1 13 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.558 2.285 18300 1498 1 13 . 1 1 11 11 ASN H H 11 8.727 8.727 8.467 0.260 18300 1499 1 13 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.933 -0.283 18300 1500 1 13 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.910 1.506 18300 1501 1 13 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.537 0.279 18300 1502 1 13 . 1 1 12 12 VAL H H 12 8.498 8.498 8.476 0.022 18300 1503 1 13 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.294 -0.021 18300 1504 1 13 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.134 -3.135 18300 1505 1 13 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.559 0.676 18300 1506 1 13 . 1 1 13 13 GLN H H 13 7.749 7.749 7.716 0.033 18300 1507 1 13 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.732 0.100 18300 1508 1 13 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.754 0.442 18300 1509 1 13 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.587 1.550 18300 1510 1 13 . 1 1 14 14 PHE H H 14 8.178 8.178 6.913 1.265 18300 1511 1 13 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.166 -0.345 18300 1512 1 13 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.075 2.371 18300 1513 1 13 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.720 -1.689 18300 1514 1 13 . 1 1 15 15 TYR H H 15 8.605 8.605 7.524 1.081 18300 1515 1 13 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.444 -0.177 18300 1516 1 13 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.077 0.297 18300 1517 1 13 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.451 -1.458 18300 1518 1 13 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.571 0.270 18300 1519 1 13 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.102 -2.207 18300 1520 1 13 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.305 12.360 18300 1521 1 13 . 1 1 17 17 CYS H H 17 8.138 8.138 8.229 -0.091 18300 1522 1 13 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.599 -0.083 18300 1523 1 13 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.132 -4.131 18300 1524 1 13 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.455 13.254 18300 1525 1 13 . 1 1 18 18 CYS H H 18 9.645 9.645 8.549 1.096 18300 1526 1 13 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.486 -0.020 18300 1527 1 13 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.845 0.171 18300 1528 1 13 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.413 -0.321 18300 1529 1 13 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.205 0.611 18300 1530 1 13 . 1 1 20 20 GLY H H 20 8.510 8.510 8.705 -0.195 18300 1531 1 13 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.425 0.179 18300 1532 1 13 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.122 -1.212 18300 1533 1 13 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.127 0.797 18300 1534 1 13 . 1 1 21 21 LEU H H 21 7.616 7.616 8.019 -0.403 18300 1535 1 13 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.335 1.945 18300 1536 1 13 . 1 1 22 22 GLY H H 22 8.351 8.351 7.975 0.376 18300 1537 1 13 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.673 -0.746 18300 1538 1 13 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.297 -2.533 18300 1539 1 13 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.448 -1.188 18300 1540 1 13 . 1 1 23 23 LEU H H 23 7.695 7.695 7.825 -0.130 18300 1541 1 13 . 1 1 24 24 THR HA H 24 4.370 4.370 4.617 -0.247 18300 1542 1 13 . 1 1 24 24 THR CA C 24 60.616 60.616 60.450 0.166 18300 1543 1 13 . 1 1 24 24 THR CB C 24 70.621 70.621 71.973 -1.352 18300 1544 1 13 . 1 1 24 24 THR H H 24 9.043 9.043 8.741 0.302 18300 1545 1 13 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.289 -0.592 18300 1546 1 13 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.260 -3.432 18300 1547 1 13 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.458 12.931 18300 1548 1 13 . 1 1 25 25 CYS H H 25 8.099 8.099 8.766 -0.667 18300 1549 1 13 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.537 0.091 18300 1550 1 13 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.197 -2.205 18300 1551 1 13 . 1 1 26 26 ILE CB C 26 41.001 41.001 41.068 -0.067 18300 1552 1 13 . 1 1 26 26 ILE H H 26 8.555 8.555 8.867 -0.312 18300 1553 1 13 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.411 0.132 18300 1554 1 13 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.482 0.848 18300 1555 1 13 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.420 1.430 18300 1556 1 13 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.091 1.984 18300 1557 1 13 . 1 1 28 28 GLY H H 28 7.880 7.880 8.325 -0.445 18300 1558 1 13 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.976 0.045 18300 1559 1 13 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.720 -0.813 18300 1560 1 13 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.800 -0.110 18300 1561 1 13 . 1 1 29 29 ASN H H 29 7.996 7.996 7.832 0.164 18300 1562 1 13 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.666 -0.312 18300 1563 1 13 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.648 -0.128 18300 1564 1 13 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.489 2.245 18300 1565 1 13 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.928 0.933 18300 1566 1 13 . 1 1 31 31 ASP CA C 31 52.483 52.483 52.800 -0.317 18300 1567 1 13 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.267 -2.239 18300 1568 1 13 . 1 1 31 31 ASP H H 31 8.148 8.148 7.974 0.174 18300 1569 1 13 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.834 2.212 18300 1570 1 13 . 1 1 32 32 GLY H H 32 8.459 8.459 8.322 0.137 18300 1571 1 13 . 1 1 33 33 THR HA H 33 4.835 4.835 5.139 -0.304 18300 1572 1 13 . 1 1 33 33 THR CA C 33 61.752 61.752 60.639 1.113 18300 1573 1 13 . 1 1 33 33 THR CB C 33 71.796 71.796 71.719 0.077 18300 1574 1 13 . 1 1 33 33 THR H H 33 8.667 8.667 8.252 0.415 18300 1575 1 13 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.289 -0.160 18300 1576 1 13 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.041 -2.692 18300 1577 1 13 . 1 1 34 34 CYS CB C 34 42.033 42.033 26.018 16.015 18300 1578 1 13 . 1 1 34 34 CYS H H 34 8.253 8.253 8.702 -0.449 18300 1579 1 13 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.801 0.055 18300 1580 1 13 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.099 0.626 18300 1581 1 13 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.761 -0.279 18300 1582 1 13 . 1 1 35 35 TYR H H 35 9.299 9.299 9.036 0.263 18300 1583 1 13 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.493 -0.666 18300 1584 1 13 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.958 0.283 18300 1585 1 13 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.679 -0.584 18300 1586 1 13 . 1 1 36 36 TYR H H 36 8.548 8.548 8.869 -0.321 18300 1587 1 14 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.350 -1.005 18300 1588 1 14 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.483 -0.997 18300 1589 1 14 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.598 13.704 18300 1590 1 14 . 1 1 3 3 CYS H H 3 7.453 7.453 7.843 -0.390 18300 1591 1 14 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.702 -0.133 18300 1592 1 14 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.664 0.036 18300 1593 1 14 . 1 1 4 4 ALA CB C 4 23.045 23.045 21.161 1.884 18300 1594 1 14 . 1 1 4 4 ALA H H 4 8.479 8.479 8.280 0.199 18300 1595 1 14 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.809 -0.230 18300 1596 1 14 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.011 0.499 18300 1597 1 14 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.393 -0.528 18300 1598 1 14 . 1 1 5 5 PHE H H 5 7.862 7.862 7.560 0.302 18300 1599 1 14 . 1 1 6 6 GLU HA H 6 3.641 3.641 3.972 -0.331 18300 1600 1 14 . 1 1 6 6 GLU CA C 6 57.762 57.762 58.263 -0.501 18300 1601 1 14 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.657 -1.762 18300 1602 1 14 . 1 1 6 6 GLU H H 6 8.271 8.271 8.642 -0.371 18300 1603 1 14 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.854 0.077 18300 1604 1 14 . 1 1 7 7 GLY H H 7 9.358 9.358 8.557 0.801 18300 1605 1 14 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.597 0.035 18300 1606 1 14 . 1 1 8 8 GLU CA C 8 53.905 53.905 54.118 -0.213 18300 1607 1 14 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.579 2.093 18300 1608 1 14 . 1 1 8 8 GLU H H 8 7.811 7.811 7.629 0.182 18300 1609 1 14 . 1 1 9 9 SER HA H 9 4.969 4.969 5.163 -0.194 18300 1610 1 14 . 1 1 9 9 SER CA C 9 59.134 59.134 57.196 1.938 18300 1611 1 14 . 1 1 9 9 SER CB C 9 64.097 64.097 64.030 0.067 18300 1612 1 14 . 1 1 9 9 SER H H 9 8.309 8.309 8.337 -0.028 18300 1613 1 14 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.864 0.523 18300 1614 1 14 . 1 1 10 10 CYS CA C 10 52.922 52.922 56.451 -3.529 18300 1615 1 14 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.650 21.361 18300 1616 1 14 . 1 1 10 10 CYS H H 10 8.540 8.540 8.964 -0.424 18300 1617 1 14 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.104 0.281 18300 1618 1 14 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.479 0.448 18300 1619 1 14 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.047 2.796 18300 1620 1 14 . 1 1 11 11 ASN H H 11 8.727 8.727 8.488 0.239 18300 1621 1 14 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.910 -0.261 18300 1622 1 14 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.475 1.941 18300 1623 1 14 . 1 1 12 12 VAL CB C 12 31.816 31.816 30.982 0.834 18300 1624 1 14 . 1 1 12 12 VAL H H 12 8.498 8.498 8.481 0.017 18300 1625 1 14 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.225 0.048 18300 1626 1 14 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.108 -3.109 18300 1627 1 14 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.883 0.352 18300 1628 1 14 . 1 1 13 13 GLN H H 13 7.749 7.749 7.685 0.064 18300 1629 1 14 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.688 0.144 18300 1630 1 14 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.683 0.513 18300 1631 1 14 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.243 1.894 18300 1632 1 14 . 1 1 14 14 PHE H H 14 8.178 8.178 6.969 1.209 18300 1633 1 14 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.149 -0.328 18300 1634 1 14 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.236 2.210 18300 1635 1 14 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.754 -1.723 18300 1636 1 14 . 1 1 15 15 TYR H H 15 8.605 8.605 7.516 1.089 18300 1637 1 14 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.490 -0.223 18300 1638 1 14 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.163 0.211 18300 1639 1 14 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.437 -1.444 18300 1640 1 14 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.659 0.182 18300 1641 1 14 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.299 -2.404 18300 1642 1 14 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.284 12.381 18300 1643 1 14 . 1 1 17 17 CYS H H 17 8.138 8.138 8.314 -0.176 18300 1644 1 14 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.684 -0.169 18300 1645 1 14 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.228 -4.227 18300 1646 1 14 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.601 13.108 18300 1647 1 14 . 1 1 18 18 CYS H H 18 9.645 9.645 8.680 0.965 18300 1648 1 14 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.499 -0.033 18300 1649 1 14 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.919 0.097 18300 1650 1 14 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.433 -0.341 18300 1651 1 14 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.306 0.510 18300 1652 1 14 . 1 1 20 20 GLY H H 20 8.510 8.510 8.750 -0.240 18300 1653 1 14 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.429 0.175 18300 1654 1 14 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.389 -1.479 18300 1655 1 14 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.166 0.758 18300 1656 1 14 . 1 1 21 21 LEU H H 21 7.616 7.616 7.966 -0.350 18300 1657 1 14 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.360 1.920 18300 1658 1 14 . 1 1 22 22 GLY H H 22 8.351 8.351 7.998 0.353 18300 1659 1 14 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.729 -0.802 18300 1660 1 14 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.370 -2.606 18300 1661 1 14 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.819 -1.560 18300 1662 1 14 . 1 1 23 23 LEU H H 23 7.695 7.695 7.830 -0.135 18300 1663 1 14 . 1 1 24 24 THR HA H 24 4.370 4.370 4.609 -0.239 18300 1664 1 14 . 1 1 24 24 THR CA C 24 60.616 60.616 60.642 -0.026 18300 1665 1 14 . 1 1 24 24 THR CB C 24 70.621 70.621 71.732 -1.111 18300 1666 1 14 . 1 1 24 24 THR H H 24 9.043 9.043 8.844 0.199 18300 1667 1 14 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.249 -0.552 18300 1668 1 14 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.167 -3.339 18300 1669 1 14 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.325 13.065 18300 1670 1 14 . 1 1 25 25 CYS H H 25 8.099 8.099 8.796 -0.697 18300 1671 1 14 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.590 0.038 18300 1672 1 14 . 1 1 26 26 ILE CA C 26 56.991 56.991 58.910 -1.919 18300 1673 1 14 . 1 1 26 26 ILE CB C 26 41.001 41.001 41.076 -0.075 18300 1674 1 14 . 1 1 26 26 ILE H H 26 8.555 8.555 8.903 -0.348 18300 1675 1 14 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.369 0.174 18300 1676 1 14 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.767 0.563 18300 1677 1 14 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.425 1.425 18300 1678 1 14 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.209 1.866 18300 1679 1 14 . 1 1 28 28 GLY H H 28 7.880 7.880 8.308 -0.428 18300 1680 1 14 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.945 0.076 18300 1681 1 14 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.813 -0.906 18300 1682 1 14 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.801 -0.111 18300 1683 1 14 . 1 1 29 29 ASN H H 29 7.996 7.996 7.860 0.136 18300 1684 1 14 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.607 -0.253 18300 1685 1 14 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.741 -0.221 18300 1686 1 14 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.411 2.323 18300 1687 1 14 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.696 1.165 18300 1688 1 14 . 1 1 31 31 ASP CA C 31 52.483 52.483 53.264 -0.781 18300 1689 1 14 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.414 -2.386 18300 1690 1 14 . 1 1 31 31 ASP H H 31 8.148 8.148 8.007 0.141 18300 1691 1 14 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.822 2.224 18300 1692 1 14 . 1 1 32 32 GLY H H 32 8.459 8.459 8.339 0.120 18300 1693 1 14 . 1 1 33 33 THR HA H 33 4.835 4.835 5.014 -0.179 18300 1694 1 14 . 1 1 33 33 THR CA C 33 61.752 61.752 61.200 0.551 18300 1695 1 14 . 1 1 33 33 THR CB C 33 71.796 71.796 71.566 0.230 18300 1696 1 14 . 1 1 33 33 THR H H 33 8.667 8.667 8.155 0.512 18300 1697 1 14 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.254 -0.125 18300 1698 1 14 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.341 -2.992 18300 1699 1 14 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.930 16.103 18300 1700 1 14 . 1 1 34 34 CYS H H 34 8.253 8.253 8.614 -0.361 18300 1701 1 14 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.809 0.047 18300 1702 1 14 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.039 0.686 18300 1703 1 14 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.703 -0.221 18300 1704 1 14 . 1 1 35 35 TYR H H 35 9.299 9.299 9.048 0.251 18300 1705 1 14 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.530 -0.703 18300 1706 1 14 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.907 0.334 18300 1707 1 14 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.830 -0.735 18300 1708 1 14 . 1 1 36 36 TYR H H 36 8.548 8.548 8.860 -0.312 18300 1709 1 15 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.149 -0.804 18300 1710 1 15 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.319 -0.834 18300 1711 1 15 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.334 13.968 18300 1712 1 15 . 1 1 3 3 CYS H H 3 7.453 7.453 7.420 0.033 18300 1713 1 15 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.547 0.022 18300 1714 1 15 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.745 -0.044 18300 1715 1 15 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.762 2.283 18300 1716 1 15 . 1 1 4 4 ALA H H 4 8.479 8.479 8.095 0.384 18300 1717 1 15 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.480 0.099 18300 1718 1 15 . 1 1 5 5 PHE CA C 5 55.510 55.510 56.780 -1.270 18300 1719 1 15 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.496 -0.631 18300 1720 1 15 . 1 1 5 5 PHE H H 5 7.862 7.862 8.486 -0.624 18300 1721 1 15 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.105 -0.464 18300 1722 1 15 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.407 0.355 18300 1723 1 15 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.982 -2.087 18300 1724 1 15 . 1 1 6 6 GLU H H 6 8.271 8.271 8.467 -0.196 18300 1725 1 15 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.994 -0.063 18300 1726 1 15 . 1 1 7 7 GLY H H 7 9.358 9.358 8.541 0.817 18300 1727 1 15 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.718 -0.086 18300 1728 1 15 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.877 0.028 18300 1729 1 15 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.537 2.135 18300 1730 1 15 . 1 1 8 8 GLU H H 8 7.811 7.811 7.798 0.013 18300 1731 1 15 . 1 1 9 9 SER HA H 9 4.969 4.969 5.433 -0.464 18300 1732 1 15 . 1 1 9 9 SER CA C 9 59.134 59.134 57.588 1.546 18300 1733 1 15 . 1 1 9 9 SER CB C 9 64.097 64.097 64.605 -0.508 18300 1734 1 15 . 1 1 9 9 SER H H 9 8.309 8.309 8.464 -0.155 18300 1735 1 15 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.929 0.458 18300 1736 1 15 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.238 -4.316 18300 1737 1 15 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.080 20.931 18300 1738 1 15 . 1 1 10 10 CYS H H 10 8.540 8.540 9.023 -0.483 18300 1739 1 15 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.124 0.261 18300 1740 1 15 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.394 0.533 18300 1741 1 15 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.187 2.656 18300 1742 1 15 . 1 1 11 11 ASN H H 11 8.727 8.727 8.520 0.207 18300 1743 1 15 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.897 -0.247 18300 1744 1 15 . 1 1 12 12 VAL CA C 12 65.416 65.416 64.145 1.271 18300 1745 1 15 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.526 0.290 18300 1746 1 15 . 1 1 12 12 VAL H H 12 8.498 8.498 8.430 0.068 18300 1747 1 15 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.269 0.004 18300 1748 1 15 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.273 -3.274 18300 1749 1 15 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.600 0.635 18300 1750 1 15 . 1 1 13 13 GLN H H 13 7.749 7.749 7.694 0.055 18300 1751 1 15 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.731 0.101 18300 1752 1 15 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.801 0.395 18300 1753 1 15 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.559 1.579 18300 1754 1 15 . 1 1 14 14 PHE H H 14 8.178 8.178 6.913 1.265 18300 1755 1 15 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.139 -0.319 18300 1756 1 15 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.101 2.345 18300 1757 1 15 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.729 -1.698 18300 1758 1 15 . 1 1 15 15 TYR H H 15 8.605 8.605 7.527 1.078 18300 1759 1 15 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.450 -0.183 18300 1760 1 15 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.090 0.284 18300 1761 1 15 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.455 -1.462 18300 1762 1 15 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.572 0.269 18300 1763 1 15 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.147 -2.252 18300 1764 1 15 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.289 12.376 18300 1765 1 15 . 1 1 17 17 CYS H H 17 8.138 8.138 8.251 -0.113 18300 1766 1 15 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.599 -0.083 18300 1767 1 15 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.142 -4.141 18300 1768 1 15 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.438 13.271 18300 1769 1 15 . 1 1 18 18 CYS H H 18 9.645 9.645 8.546 1.099 18300 1770 1 15 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.487 -0.021 18300 1771 1 15 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.810 0.206 18300 1772 1 15 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.438 -0.346 18300 1773 1 15 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.328 0.488 18300 1774 1 15 . 1 1 20 20 GLY H H 20 8.510 8.510 8.762 -0.252 18300 1775 1 15 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.420 0.184 18300 1776 1 15 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.379 -1.469 18300 1777 1 15 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.207 0.717 18300 1778 1 15 . 1 1 21 21 LEU H H 21 7.616 7.616 8.011 -0.395 18300 1779 1 15 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.288 1.992 18300 1780 1 15 . 1 1 22 22 GLY H H 22 8.351 8.351 7.956 0.395 18300 1781 1 15 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.680 -0.753 18300 1782 1 15 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.277 -2.513 18300 1783 1 15 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.539 -1.279 18300 1784 1 15 . 1 1 23 23 LEU H H 23 7.695 7.695 7.815 -0.120 18300 1785 1 15 . 1 1 24 24 THR HA H 24 4.370 4.370 4.620 -0.250 18300 1786 1 15 . 1 1 24 24 THR CA C 24 60.616 60.616 60.452 0.164 18300 1787 1 15 . 1 1 24 24 THR CB C 24 70.621 70.621 71.965 -1.344 18300 1788 1 15 . 1 1 24 24 THR H H 24 9.043 9.043 8.740 0.303 18300 1789 1 15 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.294 -0.597 18300 1790 1 15 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.259 -3.431 18300 1791 1 15 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.455 12.934 18300 1792 1 15 . 1 1 25 25 CYS H H 25 8.099 8.099 8.769 -0.670 18300 1793 1 15 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.524 0.104 18300 1794 1 15 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.221 -2.230 18300 1795 1 15 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.936 0.065 18300 1796 1 15 . 1 1 26 26 ILE H H 26 8.555 8.555 8.833 -0.278 18300 1797 1 15 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.416 0.127 18300 1798 1 15 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.348 0.982 18300 1799 1 15 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.435 1.415 18300 1800 1 15 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.096 1.980 18300 1801 1 15 . 1 1 28 28 GLY H H 28 7.880 7.880 8.326 -0.446 18300 1802 1 15 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.977 0.044 18300 1803 1 15 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.709 -0.802 18300 1804 1 15 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.799 -0.109 18300 1805 1 15 . 1 1 29 29 ASN H H 29 7.996 7.996 7.831 0.165 18300 1806 1 15 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.668 -0.314 18300 1807 1 15 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.642 -0.122 18300 1808 1 15 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.492 2.242 18300 1809 1 15 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.913 0.948 18300 1810 1 15 . 1 1 31 31 ASP CA C 31 52.483 52.483 52.815 -0.332 18300 1811 1 15 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.254 -2.226 18300 1812 1 15 . 1 1 31 31 ASP H H 31 8.148 8.148 7.975 0.173 18300 1813 1 15 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.829 2.217 18300 1814 1 15 . 1 1 32 32 GLY H H 32 8.459 8.459 8.314 0.145 18300 1815 1 15 . 1 1 33 33 THR HA H 33 4.835 4.835 5.143 -0.308 18300 1816 1 15 . 1 1 33 33 THR CA C 33 61.752 61.752 60.645 1.107 18300 1817 1 15 . 1 1 33 33 THR CB C 33 71.796 71.796 71.747 0.049 18300 1818 1 15 . 1 1 33 33 THR H H 33 8.667 8.667 8.258 0.409 18300 1819 1 15 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.290 -0.161 18300 1820 1 15 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.042 -2.693 18300 1821 1 15 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.995 16.038 18300 1822 1 15 . 1 1 34 34 CYS H H 34 8.253 8.253 8.709 -0.456 18300 1823 1 15 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.800 0.056 18300 1824 1 15 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.099 0.626 18300 1825 1 15 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.722 -0.240 18300 1826 1 15 . 1 1 35 35 TYR H H 35 9.299 9.299 9.045 0.254 18300 1827 1 15 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.510 -0.683 18300 1828 1 15 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.923 0.318 18300 1829 1 15 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.684 -0.590 18300 1830 1 15 . 1 1 36 36 TYR H H 36 8.548 8.548 8.872 -0.324 18300 1831 1 16 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.163 -0.818 18300 1832 1 16 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.294 -0.809 18300 1833 1 16 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.430 13.872 18300 1834 1 16 . 1 1 3 3 CYS H H 3 7.453 7.453 7.420 0.033 18300 1835 1 16 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.633 -0.064 18300 1836 1 16 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.693 0.007 18300 1837 1 16 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.797 2.248 18300 1838 1 16 . 1 1 4 4 ALA H H 4 8.479 8.479 8.093 0.386 18300 1839 1 16 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.485 0.094 18300 1840 1 16 . 1 1 5 5 PHE CA C 5 55.510 55.510 56.735 -1.225 18300 1841 1 16 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.520 -0.655 18300 1842 1 16 . 1 1 5 5 PHE H H 5 7.862 7.862 8.497 -0.635 18300 1843 1 16 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.107 -0.466 18300 1844 1 16 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.445 0.317 18300 1845 1 16 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.947 -2.052 18300 1846 1 16 . 1 1 6 6 GLU H H 6 8.271 8.271 8.476 -0.205 18300 1847 1 16 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.980 -0.049 18300 1848 1 16 . 1 1 7 7 GLY H H 7 9.358 9.358 8.534 0.824 18300 1849 1 16 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.702 -0.070 18300 1850 1 16 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.918 -0.013 18300 1851 1 16 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.776 1.896 18300 1852 1 16 . 1 1 8 8 GLU H H 8 7.811 7.811 7.730 0.081 18300 1853 1 16 . 1 1 9 9 SER HA H 9 4.969 4.969 5.416 -0.447 18300 1854 1 16 . 1 1 9 9 SER CA C 9 59.134 59.134 58.302 0.832 18300 1855 1 16 . 1 1 9 9 SER CB C 9 64.097 64.097 64.322 -0.225 18300 1856 1 16 . 1 1 9 9 SER H H 9 8.309 8.309 8.419 -0.110 18300 1857 1 16 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.818 0.569 18300 1858 1 16 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.226 -4.304 18300 1859 1 16 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.118 20.893 18300 1860 1 16 . 1 1 10 10 CYS H H 10 8.540 8.540 8.993 -0.453 18300 1861 1 16 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.177 0.208 18300 1862 1 16 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.245 0.682 18300 1863 1 16 . 1 1 11 11 ASN CB C 11 42.843 42.843 41.270 1.573 18300 1864 1 16 . 1 1 11 11 ASN H H 11 8.727 8.727 8.500 0.227 18300 1865 1 16 . 1 1 12 12 VAL HA H 12 3.650 3.650 4.056 -0.406 18300 1866 1 16 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.786 1.630 18300 1867 1 16 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.135 0.681 18300 1868 1 16 . 1 1 12 12 VAL H H 12 8.498 8.498 8.667 -0.169 18300 1869 1 16 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.310 -0.037 18300 1870 1 16 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.205 -3.206 18300 1871 1 16 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.903 0.332 18300 1872 1 16 . 1 1 13 13 GLN H H 13 7.749 7.749 7.628 0.121 18300 1873 1 16 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.732 0.100 18300 1874 1 16 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.777 0.419 18300 1875 1 16 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.533 1.604 18300 1876 1 16 . 1 1 14 14 PHE H H 14 8.178 8.178 6.902 1.276 18300 1877 1 16 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.156 -0.335 18300 1878 1 16 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.079 2.367 18300 1879 1 16 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.609 -1.578 18300 1880 1 16 . 1 1 15 15 TYR H H 15 8.605 8.605 7.519 1.086 18300 1881 1 16 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.452 -0.185 18300 1882 1 16 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.072 0.302 18300 1883 1 16 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.447 -1.454 18300 1884 1 16 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.578 0.263 18300 1885 1 16 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.149 -2.254 18300 1886 1 16 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.294 12.371 18300 1887 1 16 . 1 1 17 17 CYS H H 17 8.138 8.138 8.240 -0.102 18300 1888 1 16 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.603 -0.087 18300 1889 1 16 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.138 -4.137 18300 1890 1 16 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.487 13.222 18300 1891 1 16 . 1 1 18 18 CYS H H 18 9.645 9.645 8.554 1.091 18300 1892 1 16 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.488 -0.022 18300 1893 1 16 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.868 0.148 18300 1894 1 16 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.417 -0.325 18300 1895 1 16 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.218 0.599 18300 1896 1 16 . 1 1 20 20 GLY H H 20 8.510 8.510 8.703 -0.193 18300 1897 1 16 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.426 0.178 18300 1898 1 16 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.106 -1.196 18300 1899 1 16 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.137 0.787 18300 1900 1 16 . 1 1 21 21 LEU H H 21 7.616 7.616 8.015 -0.399 18300 1901 1 16 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.336 1.944 18300 1902 1 16 . 1 1 22 22 GLY H H 22 8.351 8.351 7.974 0.377 18300 1903 1 16 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.683 -0.756 18300 1904 1 16 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.280 -2.516 18300 1905 1 16 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.492 -1.232 18300 1906 1 16 . 1 1 23 23 LEU H H 23 7.695 7.695 7.847 -0.152 18300 1907 1 16 . 1 1 24 24 THR HA H 24 4.370 4.370 4.664 -0.294 18300 1908 1 16 . 1 1 24 24 THR CA C 24 60.616 60.616 59.896 0.720 18300 1909 1 16 . 1 1 24 24 THR CB C 24 70.621 70.621 71.815 -1.194 18300 1910 1 16 . 1 1 24 24 THR H H 24 9.043 9.043 8.738 0.305 18300 1911 1 16 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.184 -0.487 18300 1912 1 16 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.138 -3.310 18300 1913 1 16 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.211 13.178 18300 1914 1 16 . 1 1 25 25 CYS H H 25 8.099 8.099 8.842 -0.743 18300 1915 1 16 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.522 0.106 18300 1916 1 16 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.228 -2.237 18300 1917 1 16 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.911 0.090 18300 1918 1 16 . 1 1 26 26 ILE H H 26 8.555 8.555 8.856 -0.301 18300 1919 1 16 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.414 0.129 18300 1920 1 16 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.379 0.951 18300 1921 1 16 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.433 1.417 18300 1922 1 16 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.134 1.941 18300 1923 1 16 . 1 1 28 28 GLY H H 28 7.880 7.880 8.392 -0.512 18300 1924 1 16 . 1 1 29 29 ASN HA H 29 5.021 5.021 5.028 -0.007 18300 1925 1 16 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.653 -0.746 18300 1926 1 16 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.707 -0.017 18300 1927 1 16 . 1 1 29 29 ASN H H 29 7.996 7.996 7.757 0.239 18300 1928 1 16 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.490 -0.136 18300 1929 1 16 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.819 -0.299 18300 1930 1 16 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.804 1.930 18300 1931 1 16 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.962 0.899 18300 1932 1 16 . 1 1 31 31 ASP CA C 31 52.483 52.483 53.761 -1.278 18300 1933 1 16 . 1 1 31 31 ASP CB C 31 40.028 40.028 43.044 -3.016 18300 1934 1 16 . 1 1 31 31 ASP H H 31 8.148 8.148 7.644 0.504 18300 1935 1 16 . 1 1 32 32 GLY CA C 32 47.046 47.046 45.089 1.957 18300 1936 1 16 . 1 1 32 32 GLY H H 32 8.459 8.459 8.289 0.170 18300 1937 1 16 . 1 1 33 33 THR HA H 33 4.835 4.835 5.226 -0.391 18300 1938 1 16 . 1 1 33 33 THR CA C 33 61.752 61.752 61.045 0.707 18300 1939 1 16 . 1 1 33 33 THR CB C 33 71.796 71.796 71.654 0.142 18300 1940 1 16 . 1 1 33 33 THR H H 33 8.667 8.667 8.191 0.476 18300 1941 1 16 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.298 -0.169 18300 1942 1 16 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.205 -2.856 18300 1943 1 16 . 1 1 34 34 CYS CB C 34 42.033 42.033 26.085 15.948 18300 1944 1 16 . 1 1 34 34 CYS H H 34 8.253 8.253 8.681 -0.428 18300 1945 1 16 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.801 0.055 18300 1946 1 16 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.090 0.635 18300 1947 1 16 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.764 -0.282 18300 1948 1 16 . 1 1 35 35 TYR H H 35 9.299 9.299 9.037 0.262 18300 1949 1 16 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.544 -0.717 18300 1950 1 16 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.920 0.320 18300 1951 1 16 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.669 -0.574 18300 1952 1 16 . 1 1 36 36 TYR H H 36 8.548 8.548 8.868 -0.320 18300 1953 1 17 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.186 -0.841 18300 1954 1 17 . 1 1 3 3 CYS CA C 3 53.485 53.485 55.003 -1.518 18300 1955 1 17 . 1 1 3 3 CYS CB C 3 43.302 43.302 30.644 12.658 18300 1956 1 17 . 1 1 3 3 CYS H H 3 7.453 7.453 7.523 -0.070 18300 1957 1 17 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.674 -0.105 18300 1958 1 17 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.653 0.047 18300 1959 1 17 . 1 1 4 4 ALA CB C 4 23.045 23.045 21.065 1.980 18300 1960 1 17 . 1 1 4 4 ALA H H 4 8.479 8.479 8.418 0.061 18300 1961 1 17 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.780 -0.201 18300 1962 1 17 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.018 0.492 18300 1963 1 17 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.404 -0.539 18300 1964 1 17 . 1 1 5 5 PHE H H 5 7.862 7.862 7.813 0.049 18300 1965 1 17 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.124 -0.483 18300 1966 1 17 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.881 -0.119 18300 1967 1 17 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.765 -1.870 18300 1968 1 17 . 1 1 6 6 GLU H H 6 8.271 8.271 8.571 -0.300 18300 1969 1 17 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.982 -0.051 18300 1970 1 17 . 1 1 7 7 GLY H H 7 9.358 9.358 8.498 0.860 18300 1971 1 17 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.639 -0.007 18300 1972 1 17 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.807 0.098 18300 1973 1 17 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.363 2.309 18300 1974 1 17 . 1 1 8 8 GLU H H 8 7.811 7.811 7.743 0.068 18300 1975 1 17 . 1 1 9 9 SER HA H 9 4.969 4.969 5.442 -0.473 18300 1976 1 17 . 1 1 9 9 SER CA C 9 59.134 59.134 57.194 1.940 18300 1977 1 17 . 1 1 9 9 SER CB C 9 64.097 64.097 64.654 -0.557 18300 1978 1 17 . 1 1 9 9 SER H H 9 8.309 8.309 8.330 -0.021 18300 1979 1 17 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.877 0.510 18300 1980 1 17 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.069 -4.146 18300 1981 1 17 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.030 20.981 18300 1982 1 17 . 1 1 10 10 CYS H H 10 8.540 8.540 8.986 -0.446 18300 1983 1 17 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.112 0.273 18300 1984 1 17 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.594 0.333 18300 1985 1 17 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.427 2.416 18300 1986 1 17 . 1 1 11 11 ASN H H 11 8.727 8.727 8.443 0.284 18300 1987 1 17 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.944 -0.294 18300 1988 1 17 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.839 1.577 18300 1989 1 17 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.507 0.309 18300 1990 1 17 . 1 1 12 12 VAL H H 12 8.498 8.498 8.492 0.006 18300 1991 1 17 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.306 -0.033 18300 1992 1 17 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.075 -3.076 18300 1993 1 17 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.600 0.635 18300 1994 1 17 . 1 1 13 13 GLN H H 13 7.749 7.749 7.707 0.042 18300 1995 1 17 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.737 0.095 18300 1996 1 17 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.904 0.292 18300 1997 1 17 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.483 1.654 18300 1998 1 17 . 1 1 14 14 PHE H H 14 8.178 8.178 6.907 1.271 18300 1999 1 17 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.097 -0.276 18300 2000 1 17 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.161 2.285 18300 2001 1 17 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.757 -1.726 18300 2002 1 17 . 1 1 15 15 TYR H H 15 8.605 8.605 7.524 1.081 18300 2003 1 17 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.475 -0.208 18300 2004 1 17 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.098 0.276 18300 2005 1 17 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.465 -1.472 18300 2006 1 17 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.660 0.181 18300 2007 1 17 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.149 -2.254 18300 2008 1 17 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.369 12.296 18300 2009 1 17 . 1 1 17 17 CYS H H 17 8.138 8.138 8.250 -0.112 18300 2010 1 17 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.678 -0.162 18300 2011 1 17 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.176 -4.175 18300 2012 1 17 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.596 13.113 18300 2013 1 17 . 1 1 18 18 CYS H H 18 9.645 9.645 8.680 0.965 18300 2014 1 17 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.497 -0.031 18300 2015 1 17 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.913 0.103 18300 2016 1 17 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.423 -0.331 18300 2017 1 17 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.186 0.630 18300 2018 1 17 . 1 1 20 20 GLY H H 20 8.510 8.510 8.704 -0.194 18300 2019 1 17 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.411 0.193 18300 2020 1 17 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.150 -1.240 18300 2021 1 17 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.117 0.806 18300 2022 1 17 . 1 1 21 21 LEU H H 21 7.616 7.616 8.028 -0.412 18300 2023 1 17 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.310 1.970 18300 2024 1 17 . 1 1 22 22 GLY H H 22 8.351 8.351 7.967 0.384 18300 2025 1 17 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.660 -0.733 18300 2026 1 17 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.290 -2.526 18300 2027 1 17 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.371 -1.111 18300 2028 1 17 . 1 1 23 23 LEU H H 23 7.695 7.695 7.807 -0.112 18300 2029 1 17 . 1 1 24 24 THR HA H 24 4.370 4.370 4.611 -0.241 18300 2030 1 17 . 1 1 24 24 THR CA C 24 60.616 60.616 60.831 -0.215 18300 2031 1 17 . 1 1 24 24 THR CB C 24 70.621 70.621 71.695 -1.074 18300 2032 1 17 . 1 1 24 24 THR H H 24 9.043 9.043 8.820 0.223 18300 2033 1 17 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.254 -0.557 18300 2034 1 17 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.253 -3.425 18300 2035 1 17 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.471 12.918 18300 2036 1 17 . 1 1 25 25 CYS H H 25 8.099 8.099 8.762 -0.663 18300 2037 1 17 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.515 0.113 18300 2038 1 17 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.219 -2.228 18300 2039 1 17 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.901 0.099 18300 2040 1 17 . 1 1 26 26 ILE H H 26 8.555 8.555 8.802 -0.247 18300 2041 1 17 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.410 0.133 18300 2042 1 17 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.354 0.976 18300 2043 1 17 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.432 1.418 18300 2044 1 17 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.139 1.936 18300 2045 1 17 . 1 1 28 28 GLY H H 28 7.880 7.880 8.396 -0.516 18300 2046 1 17 . 1 1 29 29 ASN HA H 29 5.021 5.021 5.020 0.001 18300 2047 1 17 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.770 -0.863 18300 2048 1 17 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.666 0.024 18300 2049 1 17 . 1 1 29 29 ASN H H 29 7.996 7.996 7.773 0.223 18300 2050 1 17 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.417 -0.063 18300 2051 1 17 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.733 -0.213 18300 2052 1 17 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.812 1.922 18300 2053 1 17 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.847 1.014 18300 2054 1 17 . 1 1 31 31 ASP CA C 31 52.483 52.483 53.764 -1.281 18300 2055 1 17 . 1 1 31 31 ASP CB C 31 40.028 40.028 43.142 -3.114 18300 2056 1 17 . 1 1 31 31 ASP H H 31 8.148 8.148 7.706 0.442 18300 2057 1 17 . 1 1 32 32 GLY CA C 32 47.046 47.046 45.268 1.778 18300 2058 1 17 . 1 1 32 32 GLY H H 32 8.459 8.459 8.402 0.057 18300 2059 1 17 . 1 1 33 33 THR HA H 33 4.835 4.835 5.174 -0.339 18300 2060 1 17 . 1 1 33 33 THR CA C 33 61.752 61.752 60.715 1.037 18300 2061 1 17 . 1 1 33 33 THR CB C 33 71.796 71.796 71.369 0.427 18300 2062 1 17 . 1 1 33 33 THR H H 33 8.667 8.667 8.212 0.455 18300 2063 1 17 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.179 -0.050 18300 2064 1 17 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.159 -2.810 18300 2065 1 17 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.935 16.098 18300 2066 1 17 . 1 1 34 34 CYS H H 34 8.253 8.253 8.648 -0.395 18300 2067 1 17 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.808 0.048 18300 2068 1 17 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.079 0.646 18300 2069 1 17 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.778 -0.296 18300 2070 1 17 . 1 1 35 35 TYR H H 35 9.299 9.299 9.034 0.265 18300 2071 1 17 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.464 -0.637 18300 2072 1 17 . 1 1 36 36 TYR CA C 36 58.241 58.241 58.020 0.221 18300 2073 1 17 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.782 -0.688 18300 2074 1 17 . 1 1 36 36 TYR H H 36 8.548 8.548 8.862 -0.314 18300 2075 1 18 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.106 -0.761 18300 2076 1 18 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.574 -1.089 18300 2077 1 18 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.457 13.845 18300 2078 1 18 . 1 1 3 3 CYS H H 3 7.453 7.453 7.631 -0.178 18300 2079 1 18 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.521 0.048 18300 2080 1 18 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.665 0.035 18300 2081 1 18 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.951 2.094 18300 2082 1 18 . 1 1 4 4 ALA H H 4 8.479 8.479 8.172 0.307 18300 2083 1 18 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.485 0.094 18300 2084 1 18 . 1 1 5 5 PHE CA C 5 55.510 55.510 56.741 -1.231 18300 2085 1 18 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.501 -0.636 18300 2086 1 18 . 1 1 5 5 PHE H H 5 7.862 7.862 8.486 -0.624 18300 2087 1 18 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.094 -0.453 18300 2088 1 18 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.457 0.305 18300 2089 1 18 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.965 -2.070 18300 2090 1 18 . 1 1 6 6 GLU H H 6 8.271 8.271 8.465 -0.194 18300 2091 1 18 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.974 -0.042 18300 2092 1 18 . 1 1 7 7 GLY H H 7 9.358 9.358 8.515 0.843 18300 2093 1 18 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.752 -0.120 18300 2094 1 18 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.802 0.103 18300 2095 1 18 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.689 1.984 18300 2096 1 18 . 1 1 8 8 GLU H H 8 7.811 7.811 7.707 0.104 18300 2097 1 18 . 1 1 9 9 SER HA H 9 4.969 4.969 5.447 -0.478 18300 2098 1 18 . 1 1 9 9 SER CA C 9 59.134 59.134 57.649 1.485 18300 2099 1 18 . 1 1 9 9 SER CB C 9 64.097 64.097 64.243 -0.146 18300 2100 1 18 . 1 1 9 9 SER H H 9 8.309 8.309 8.475 -0.166 18300 2101 1 18 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.869 0.518 18300 2102 1 18 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.100 -4.178 18300 2103 1 18 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.313 20.698 18300 2104 1 18 . 1 1 10 10 CYS H H 10 8.540 8.540 9.125 -0.585 18300 2105 1 18 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.124 0.261 18300 2106 1 18 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.393 0.534 18300 2107 1 18 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.168 2.675 18300 2108 1 18 . 1 1 11 11 ASN H H 11 8.727 8.727 8.516 0.211 18300 2109 1 18 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.895 -0.245 18300 2110 1 18 . 1 1 12 12 VAL CA C 12 65.416 65.416 64.152 1.264 18300 2111 1 18 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.525 0.291 18300 2112 1 18 . 1 1 12 12 VAL H H 12 8.498 8.498 8.425 0.073 18300 2113 1 18 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.268 0.005 18300 2114 1 18 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.273 -3.274 18300 2115 1 18 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.601 0.634 18300 2116 1 18 . 1 1 13 13 GLN H H 13 7.749 7.749 7.689 0.060 18300 2117 1 18 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.727 0.105 18300 2118 1 18 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.722 0.474 18300 2119 1 18 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.571 1.567 18300 2120 1 18 . 1 1 14 14 PHE H H 14 8.178 8.178 6.913 1.265 18300 2121 1 18 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.169 -0.348 18300 2122 1 18 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.091 2.355 18300 2123 1 18 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.707 -1.676 18300 2124 1 18 . 1 1 15 15 TYR H H 15 8.605 8.605 7.515 1.090 18300 2125 1 18 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.447 -0.180 18300 2126 1 18 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.096 0.278 18300 2127 1 18 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.442 -1.449 18300 2128 1 18 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.585 0.256 18300 2129 1 18 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.106 -2.211 18300 2130 1 18 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.306 12.359 18300 2131 1 18 . 1 1 17 17 CYS H H 17 8.138 8.138 8.237 -0.099 18300 2132 1 18 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.602 -0.086 18300 2133 1 18 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.130 -4.129 18300 2134 1 18 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.475 13.234 18300 2135 1 18 . 1 1 18 18 CYS H H 18 9.645 9.645 8.558 1.087 18300 2136 1 18 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.486 -0.020 18300 2137 1 18 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.853 0.162 18300 2138 1 18 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.424 -0.332 18300 2139 1 18 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.311 0.505 18300 2140 1 18 . 1 1 20 20 GLY H H 20 8.510 8.510 8.752 -0.242 18300 2141 1 18 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.444 0.160 18300 2142 1 18 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.355 -1.445 18300 2143 1 18 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.118 0.806 18300 2144 1 18 . 1 1 21 21 LEU H H 21 7.616 7.616 7.973 -0.357 18300 2145 1 18 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.375 1.905 18300 2146 1 18 . 1 1 22 22 GLY H H 22 8.351 8.351 8.012 0.339 18300 2147 1 18 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.705 -0.778 18300 2148 1 18 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.414 -2.650 18300 2149 1 18 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.465 -1.205 18300 2150 1 18 . 1 1 23 23 LEU H H 23 7.695 7.695 7.842 -0.147 18300 2151 1 18 . 1 1 24 24 THR HA H 24 4.370 4.370 4.599 -0.229 18300 2152 1 18 . 1 1 24 24 THR CA C 24 60.616 60.616 60.205 0.411 18300 2153 1 18 . 1 1 24 24 THR CB C 24 70.621 70.621 71.919 -1.298 18300 2154 1 18 . 1 1 24 24 THR H H 24 9.043 9.043 8.859 0.184 18300 2155 1 18 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.230 -0.533 18300 2156 1 18 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.357 -3.529 18300 2157 1 18 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.490 12.899 18300 2158 1 18 . 1 1 25 25 CYS H H 25 8.099 8.099 8.783 -0.684 18300 2159 1 18 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.521 0.107 18300 2160 1 18 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.222 -2.231 18300 2161 1 18 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.897 0.104 18300 2162 1 18 . 1 1 26 26 ILE H H 26 8.555 8.555 8.843 -0.288 18300 2163 1 18 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.415 0.128 18300 2164 1 18 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.346 0.984 18300 2165 1 18 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.435 1.415 18300 2166 1 18 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.084 1.991 18300 2167 1 18 . 1 1 28 28 GLY H H 28 7.880 7.880 8.326 -0.446 18300 2168 1 18 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.976 0.045 18300 2169 1 18 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.718 -0.811 18300 2170 1 18 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.799 -0.109 18300 2171 1 18 . 1 1 29 29 ASN H H 29 7.996 7.996 7.830 0.166 18300 2172 1 18 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.634 -0.280 18300 2173 1 18 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.726 -0.206 18300 2174 1 18 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.516 2.218 18300 2175 1 18 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.844 1.017 18300 2176 1 18 . 1 1 31 31 ASP CA C 31 52.483 52.483 53.026 -0.543 18300 2177 1 18 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.856 -2.828 18300 2178 1 18 . 1 1 31 31 ASP H H 31 8.148 8.148 7.989 0.159 18300 2179 1 18 . 1 1 32 32 GLY CA C 32 47.046 47.046 45.008 2.038 18300 2180 1 18 . 1 1 32 32 GLY H H 32 8.459 8.459 8.378 0.081 18300 2181 1 18 . 1 1 33 33 THR HA H 33 4.835 4.835 5.132 -0.297 18300 2182 1 18 . 1 1 33 33 THR CA C 33 61.752 61.752 60.653 1.099 18300 2183 1 18 . 1 1 33 33 THR CB C 33 71.796 71.796 71.690 0.106 18300 2184 1 18 . 1 1 33 33 THR H H 33 8.667 8.667 8.240 0.427 18300 2185 1 18 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.285 -0.156 18300 2186 1 18 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.063 -2.714 18300 2187 1 18 . 1 1 34 34 CYS CB C 34 42.033 42.033 26.021 16.012 18300 2188 1 18 . 1 1 34 34 CYS H H 34 8.253 8.253 8.691 -0.438 18300 2189 1 18 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.805 0.051 18300 2190 1 18 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.105 0.620 18300 2191 1 18 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.818 -0.336 18300 2192 1 18 . 1 1 35 35 TYR H H 35 9.299 9.299 9.028 0.271 18300 2193 1 18 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.500 -0.673 18300 2194 1 18 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.987 0.254 18300 2195 1 18 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.707 -0.612 18300 2196 1 18 . 1 1 36 36 TYR H H 36 8.548 8.548 8.864 -0.316 18300 2197 1 19 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.251 -0.906 18300 2198 1 19 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.176 -0.691 18300 2199 1 19 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.691 13.611 18300 2200 1 19 . 1 1 3 3 CYS H H 3 7.453 7.453 7.592 -0.139 18300 2201 1 19 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.638 -0.069 18300 2202 1 19 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.677 0.023 18300 2203 1 19 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.818 2.227 18300 2204 1 19 . 1 1 4 4 ALA H H 4 8.479 8.479 8.093 0.386 18300 2205 1 19 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.482 0.097 18300 2206 1 19 . 1 1 5 5 PHE CA C 5 55.510 55.510 56.756 -1.246 18300 2207 1 19 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.500 -0.635 18300 2208 1 19 . 1 1 5 5 PHE H H 5 7.862 7.862 8.502 -0.640 18300 2209 1 19 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.105 -0.464 18300 2210 1 19 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.458 0.304 18300 2211 1 19 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.947 -2.052 18300 2212 1 19 . 1 1 6 6 GLU H H 6 8.271 8.271 8.475 -0.204 18300 2213 1 19 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.919 0.012 18300 2214 1 19 . 1 1 7 7 GLY H H 7 9.358 9.358 8.815 0.543 18300 2215 1 19 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.671 -0.039 18300 2216 1 19 . 1 1 8 8 GLU CA C 8 53.905 53.905 54.207 -0.302 18300 2217 1 19 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.938 1.734 18300 2218 1 19 . 1 1 8 8 GLU H H 8 7.811 7.811 7.595 0.216 18300 2219 1 19 . 1 1 9 9 SER HA H 9 4.969 4.969 5.438 -0.469 18300 2220 1 19 . 1 1 9 9 SER CA C 9 59.134 59.134 58.084 1.050 18300 2221 1 19 . 1 1 9 9 SER CB C 9 64.097 64.097 64.318 -0.221 18300 2222 1 19 . 1 1 9 9 SER H H 9 8.309 8.309 8.438 -0.129 18300 2223 1 19 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.804 0.583 18300 2224 1 19 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.250 -4.328 18300 2225 1 19 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.344 20.667 18300 2226 1 19 . 1 1 10 10 CYS H H 10 8.540 8.540 9.014 -0.474 18300 2227 1 19 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.168 0.217 18300 2228 1 19 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.106 0.820 18300 2229 1 19 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.920 1.923 18300 2230 1 19 . 1 1 11 11 ASN H H 11 8.727 8.727 8.569 0.158 18300 2231 1 19 . 1 1 12 12 VAL HA H 12 3.650 3.650 4.069 -0.419 18300 2232 1 19 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.457 1.959 18300 2233 1 19 . 1 1 12 12 VAL CB C 12 31.816 31.816 30.426 1.390 18300 2234 1 19 . 1 1 12 12 VAL H H 12 8.498 8.498 8.633 -0.135 18300 2235 1 19 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.286 -0.013 18300 2236 1 19 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.239 -3.240 18300 2237 1 19 . 1 1 13 13 GLN CB C 13 30.235 30.235 30.205 0.030 18300 2238 1 19 . 1 1 13 13 GLN H H 13 7.749 7.749 7.649 0.100 18300 2239 1 19 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.735 0.097 18300 2240 1 19 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.775 0.421 18300 2241 1 19 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.548 1.589 18300 2242 1 19 . 1 1 14 14 PHE H H 14 8.178 8.178 6.896 1.282 18300 2243 1 19 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.160 -0.339 18300 2244 1 19 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.068 2.378 18300 2245 1 19 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.607 -1.576 18300 2246 1 19 . 1 1 15 15 TYR H H 15 8.605 8.605 7.519 1.086 18300 2247 1 19 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.452 -0.185 18300 2248 1 19 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.059 0.315 18300 2249 1 19 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.449 -1.456 18300 2250 1 19 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.578 0.263 18300 2251 1 19 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.137 -2.242 18300 2252 1 19 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.298 12.367 18300 2253 1 19 . 1 1 17 17 CYS H H 17 8.138 8.138 8.231 -0.093 18300 2254 1 19 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.601 -0.085 18300 2255 1 19 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.133 -4.132 18300 2256 1 19 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.480 13.229 18300 2257 1 19 . 1 1 18 18 CYS H H 18 9.645 9.645 8.552 1.093 18300 2258 1 19 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.487 -0.021 18300 2259 1 19 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.873 0.143 18300 2260 1 19 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.410 -0.318 18300 2261 1 19 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.211 0.606 18300 2262 1 19 . 1 1 20 20 GLY H H 20 8.510 8.510 8.700 -0.190 18300 2263 1 19 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.431 0.173 18300 2264 1 19 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.106 -1.196 18300 2265 1 19 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.148 0.776 18300 2266 1 19 . 1 1 21 21 LEU H H 21 7.616 7.616 8.016 -0.400 18300 2267 1 19 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.348 1.932 18300 2268 1 19 . 1 1 22 22 GLY H H 22 8.351 8.351 7.982 0.369 18300 2269 1 19 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.692 -0.765 18300 2270 1 19 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.289 -2.525 18300 2271 1 19 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.491 -1.231 18300 2272 1 19 . 1 1 23 23 LEU H H 23 7.695 7.695 7.829 -0.134 18300 2273 1 19 . 1 1 24 24 THR HA H 24 4.370 4.370 4.618 -0.248 18300 2274 1 19 . 1 1 24 24 THR CA C 24 60.616 60.616 60.435 0.181 18300 2275 1 19 . 1 1 24 24 THR CB C 24 70.621 70.621 71.984 -1.363 18300 2276 1 19 . 1 1 24 24 THR H H 24 9.043 9.043 8.740 0.303 18300 2277 1 19 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.257 -0.560 18300 2278 1 19 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.252 -3.425 18300 2279 1 19 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.397 12.992 18300 2280 1 19 . 1 1 25 25 CYS H H 25 8.099 8.099 8.769 -0.670 18300 2281 1 19 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.526 0.102 18300 2282 1 19 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.227 -2.236 18300 2283 1 19 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.944 0.057 18300 2284 1 19 . 1 1 26 26 ILE H H 26 8.555 8.555 8.860 -0.305 18300 2285 1 19 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.418 0.125 18300 2286 1 19 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.367 0.963 18300 2287 1 19 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.438 1.412 18300 2288 1 19 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.073 2.002 18300 2289 1 19 . 1 1 28 28 GLY H H 28 7.880 7.880 8.349 -0.469 18300 2290 1 19 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.980 0.041 18300 2291 1 19 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.643 -0.736 18300 2292 1 19 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.844 -0.154 18300 2293 1 19 . 1 1 29 29 ASN H H 29 7.996 7.996 7.843 0.153 18300 2294 1 19 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.623 -0.269 18300 2295 1 19 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.543 -0.023 18300 2296 1 19 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.630 2.104 18300 2297 1 19 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.971 0.890 18300 2298 1 19 . 1 1 31 31 ASP CA C 31 52.483 52.483 53.737 -1.254 18300 2299 1 19 . 1 1 31 31 ASP CB C 31 40.028 40.028 43.514 -3.486 18300 2300 1 19 . 1 1 31 31 ASP H H 31 8.148 8.148 8.012 0.136 18300 2301 1 19 . 1 1 32 32 GLY CA C 32 47.046 47.046 45.108 1.938 18300 2302 1 19 . 1 1 32 32 GLY H H 32 8.459 8.459 8.294 0.165 18300 2303 1 19 . 1 1 33 33 THR HA H 33 4.835 4.835 5.230 -0.395 18300 2304 1 19 . 1 1 33 33 THR CA C 33 61.752 61.752 61.019 0.733 18300 2305 1 19 . 1 1 33 33 THR CB C 33 71.796 71.796 71.714 0.082 18300 2306 1 19 . 1 1 33 33 THR H H 33 8.667 8.667 8.199 0.468 18300 2307 1 19 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.301 -0.172 18300 2308 1 19 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.185 -2.836 18300 2309 1 19 . 1 1 34 34 CYS CB C 34 42.033 42.033 26.091 15.942 18300 2310 1 19 . 1 1 34 34 CYS H H 34 8.253 8.253 8.667 -0.414 18300 2311 1 19 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.801 0.055 18300 2312 1 19 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.083 0.642 18300 2313 1 19 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.724 -0.242 18300 2314 1 19 . 1 1 35 35 TYR H H 35 9.299 9.299 9.039 0.260 18300 2315 1 19 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.522 -0.695 18300 2316 1 19 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.910 0.331 18300 2317 1 19 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.675 -0.580 18300 2318 1 19 . 1 1 36 36 TYR H H 36 8.548 8.548 8.868 -0.320 18300 2319 1 20 . 1 1 3 3 CYS HA H 3 4.345 4.345 5.359 -1.014 18300 2320 1 20 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.306 -0.821 18300 2321 1 20 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.587 13.715 18300 2322 1 20 . 1 1 3 3 CYS H H 3 7.453 7.453 7.580 -0.127 18300 2323 1 20 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.717 -0.148 18300 2324 1 20 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.536 0.164 18300 2325 1 20 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.835 2.210 18300 2326 1 20 . 1 1 4 4 ALA H H 4 8.479 8.479 8.382 0.097 18300 2327 1 20 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.780 -0.201 18300 2328 1 20 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.079 0.431 18300 2329 1 20 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.413 -0.548 18300 2330 1 20 . 1 1 5 5 PHE H H 5 7.862 7.862 7.572 0.290 18300 2331 1 20 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.017 -0.376 18300 2332 1 20 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.990 -0.228 18300 2333 1 20 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.743 -1.848 18300 2334 1 20 . 1 1 6 6 GLU H H 6 8.271 8.271 8.585 -0.314 18300 2335 1 20 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.962 -0.031 18300 2336 1 20 . 1 1 7 7 GLY H H 7 9.358 9.358 8.497 0.861 18300 2337 1 20 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.701 -0.069 18300 2338 1 20 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.679 0.226 18300 2339 1 20 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.305 2.366 18300 2340 1 20 . 1 1 8 8 GLU H H 8 7.811 7.811 7.701 0.110 18300 2341 1 20 . 1 1 9 9 SER HA H 9 4.969 4.969 5.457 -0.488 18300 2342 1 20 . 1 1 9 9 SER CA C 9 59.134 59.134 56.415 2.719 18300 2343 1 20 . 1 1 9 9 SER CB C 9 64.097 64.097 64.466 -0.368 18300 2344 1 20 . 1 1 9 9 SER H H 9 8.309 8.309 8.347 -0.038 18300 2345 1 20 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.807 0.580 18300 2346 1 20 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.154 -4.232 18300 2347 1 20 . 1 1 10 10 CYS CB C 10 51.011 51.011 30.442 20.569 18300 2348 1 20 . 1 1 10 10 CYS H H 10 8.540 8.540 8.970 -0.430 18300 2349 1 20 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.126 0.259 18300 2350 1 20 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.416 0.511 18300 2351 1 20 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.144 2.699 18300 2352 1 20 . 1 1 11 11 ASN H H 11 8.727 8.727 8.501 0.226 18300 2353 1 20 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.879 -0.229 18300 2354 1 20 . 1 1 12 12 VAL CA C 12 65.416 65.416 64.143 1.273 18300 2355 1 20 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.436 0.380 18300 2356 1 20 . 1 1 12 12 VAL H H 12 8.498 8.498 8.487 0.011 18300 2357 1 20 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.224 0.049 18300 2358 1 20 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.387 -3.388 18300 2359 1 20 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.692 0.543 18300 2360 1 20 . 1 1 13 13 GLN H H 13 7.749 7.749 7.679 0.070 18300 2361 1 20 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.694 0.138 18300 2362 1 20 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.676 0.520 18300 2363 1 20 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.081 2.056 18300 2364 1 20 . 1 1 14 14 PHE H H 14 8.178 8.178 6.832 1.346 18300 2365 1 20 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.178 -0.357 18300 2366 1 20 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.184 2.262 18300 2367 1 20 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.684 -1.653 18300 2368 1 20 . 1 1 15 15 TYR H H 15 8.605 8.605 7.535 1.070 18300 2369 1 20 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.487 -0.220 18300 2370 1 20 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.098 0.276 18300 2371 1 20 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.459 -1.466 18300 2372 1 20 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.679 0.162 18300 2373 1 20 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.199 -2.304 18300 2374 1 20 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.343 12.322 18300 2375 1 20 . 1 1 17 17 CYS H H 17 8.138 8.138 8.260 -0.122 18300 2376 1 20 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.683 -0.167 18300 2377 1 20 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.204 -4.203 18300 2378 1 20 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.621 13.088 18300 2379 1 20 . 1 1 18 18 CYS H H 18 9.645 9.645 8.691 0.954 18300 2380 1 20 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.498 -0.032 18300 2381 1 20 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.928 0.088 18300 2382 1 20 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.417 -0.325 18300 2383 1 20 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.181 0.635 18300 2384 1 20 . 1 1 20 20 GLY H H 20 8.510 8.510 8.700 -0.190 18300 2385 1 20 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.416 0.188 18300 2386 1 20 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.085 -1.175 18300 2387 1 20 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.218 0.707 18300 2388 1 20 . 1 1 21 21 LEU H H 21 7.616 7.616 8.063 -0.447 18300 2389 1 20 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.274 2.006 18300 2390 1 20 . 1 1 22 22 GLY H H 22 8.351 8.351 7.901 0.450 18300 2391 1 20 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.670 -0.743 18300 2392 1 20 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.278 -2.514 18300 2393 1 20 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.514 -1.254 18300 2394 1 20 . 1 1 23 23 LEU H H 23 7.695 7.695 7.848 -0.153 18300 2395 1 20 . 1 1 24 24 THR HA H 24 4.370 4.370 4.631 -0.261 18300 2396 1 20 . 1 1 24 24 THR CA C 24 60.616 60.616 60.488 0.128 18300 2397 1 20 . 1 1 24 24 THR CB C 24 70.621 70.621 71.555 -0.934 18300 2398 1 20 . 1 1 24 24 THR H H 24 9.043 9.043 8.763 0.280 18300 2399 1 20 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.220 -0.523 18300 2400 1 20 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.104 -3.276 18300 2401 1 20 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.284 13.105 18300 2402 1 20 . 1 1 25 25 CYS H H 25 8.099 8.099 8.834 -0.735 18300 2403 1 20 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.518 0.110 18300 2404 1 20 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.219 -2.228 18300 2405 1 20 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.924 0.077 18300 2406 1 20 . 1 1 26 26 ILE H H 26 8.555 8.555 8.792 -0.237 18300 2407 1 20 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.414 0.129 18300 2408 1 20 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.335 0.995 18300 2409 1 20 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.437 1.413 18300 2410 1 20 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.087 1.988 18300 2411 1 20 . 1 1 28 28 GLY H H 28 7.880 7.880 8.350 -0.470 18300 2412 1 20 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.965 0.056 18300 2413 1 20 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.789 -0.882 18300 2414 1 20 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.792 -0.103 18300 2415 1 20 . 1 1 29 29 ASN H H 29 7.996 7.996 7.865 0.131 18300 2416 1 20 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.592 -0.238 18300 2417 1 20 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.578 -0.058 18300 2418 1 20 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.606 2.128 18300 2419 1 20 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.887 0.974 18300 2420 1 20 . 1 1 31 31 ASP CA C 31 52.483 52.483 53.830 -1.347 18300 2421 1 20 . 1 1 31 31 ASP CB C 31 40.028 40.028 43.706 -3.678 18300 2422 1 20 . 1 1 31 31 ASP H H 31 8.148 8.148 8.016 0.132 18300 2423 1 20 . 1 1 32 32 GLY CA C 32 47.046 47.046 45.145 1.901 18300 2424 1 20 . 1 1 32 32 GLY H H 32 8.459 8.459 8.382 0.077 18300 2425 1 20 . 1 1 33 33 THR HA H 33 4.835 4.835 5.109 -0.274 18300 2426 1 20 . 1 1 33 33 THR CA C 33 61.752 61.752 60.615 1.137 18300 2427 1 20 . 1 1 33 33 THR CB C 33 71.796 71.796 71.623 0.173 18300 2428 1 20 . 1 1 33 33 THR H H 33 8.667 8.667 8.225 0.442 18300 2429 1 20 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.250 -0.121 18300 2430 1 20 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.178 -2.829 18300 2431 1 20 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.905 16.128 18300 2432 1 20 . 1 1 34 34 CYS H H 34 8.253 8.253 8.653 -0.400 18300 2433 1 20 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.809 0.047 18300 2434 1 20 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.065 0.660 18300 2435 1 20 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.749 -0.267 18300 2436 1 20 . 1 1 35 35 TYR H H 35 9.299 9.299 9.032 0.267 18300 2437 1 20 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.443 -0.616 18300 2438 1 20 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.999 0.242 18300 2439 1 20 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.798 -0.703 18300 2440 1 20 . 1 1 36 36 TYR H H 36 8.548 8.548 8.862 -0.314 18300 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 0 0.000 0.000 0.000 18300 2 1 1 "Average Difference" HA 39 0.413 0.083 0.410 18300 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18300 4 1 1 "Average Difference" CA 34 1.892 0.413 1.874 18300 5 1 1 "Average Difference" CB 29 7.067 -3.175 6.425 18300 6 1 1 "Average Difference" HN 30 0.481 -0.113 0.475 18300 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18300 8 1 2 "Average Difference" HA 39 0.421 0.096 0.415 18300 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18300 10 1 2 "Average Difference" CA 34 1.876 0.405 1.859 18300 11 1 2 "Average Difference" CB 29 7.073 -3.168 6.436 18300 12 1 2 "Average Difference" HN 30 0.478 -0.113 0.473 18300 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18300 14 1 3 "Average Difference" HA 39 0.411 0.084 0.407 18300 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18300 16 1 3 "Average Difference" CA 34 1.867 0.439 1.842 18300 17 1 3 "Average Difference" CB 29 7.096 -3.275 6.407 18300 18 1 3 "Average Difference" HN 30 0.472 -0.065 0.475 18300 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18300 20 1 4 "Average Difference" HA 39 0.414 0.084 0.411 18300 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18300 22 1 4 "Average Difference" CA 34 1.808 0.370 1.797 18300 23 1 4 "Average Difference" CB 29 7.024 -3.171 6.378 18300 24 1 4 "Average Difference" HN 30 0.462 -0.087 0.462 18300 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18300 26 1 5 "Average Difference" HA 39 0.423 0.100 0.417 18300 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18300 28 1 5 "Average Difference" CA 34 1.781 0.356 1.771 18300 29 1 5 "Average Difference" CB 29 7.011 -3.154 6.372 18300 30 1 5 "Average Difference" HN 30 0.474 -0.100 0.472 18300 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18300 32 1 6 "Average Difference" HA 39 0.407 0.074 0.406 18300 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18300 34 1 6 "Average Difference" CA 34 1.775 0.416 1.752 18300 35 1 6 "Average Difference" CB 29 7.047 -3.141 6.420 18300 36 1 6 "Average Difference" HN 30 0.482 -0.106 0.479 18300 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18300 38 1 7 "Average Difference" HA 39 0.424 0.087 0.421 18300 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18300 40 1 7 "Average Difference" CA 34 1.783 0.354 1.773 18300 41 1 7 "Average Difference" CB 29 6.934 -3.109 6.307 18300 42 1 7 "Average Difference" HN 30 0.496 -0.096 0.495 18300 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18300 44 1 8 "Average Difference" HA 39 0.405 0.069 0.405 18300 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18300 46 1 8 "Average Difference" CA 34 1.831 0.525 1.780 18300 47 1 8 "Average Difference" CB 29 7.006 -3.180 6.354 18300 48 1 8 "Average Difference" HN 30 0.490 -0.075 0.492 18300 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18300 50 1 9 "Average Difference" HA 39 0.417 0.098 0.410 18300 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18300 52 1 9 "Average Difference" CA 34 1.773 0.315 1.771 18300 53 1 9 "Average Difference" CB 29 6.999 -3.163 6.354 18300 54 1 9 "Average Difference" HN 30 0.479 -0.100 0.476 18300 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18300 56 1 10 "Average Difference" HA 39 0.406 0.080 0.403 18300 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18300 58 1 10 "Average Difference" CA 34 1.853 0.308 1.855 18300 59 1 10 "Average Difference" CB 29 7.032 -3.191 6.377 18300 60 1 10 "Average Difference" HN 30 0.476 -0.104 0.472 18300 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18300 62 1 11 "Average Difference" HA 39 0.418 0.094 0.413 18300 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18300 64 1 11 "Average Difference" CA 34 1.934 0.386 1.923 18300 65 1 11 "Average Difference" CB 29 6.927 -3.121 6.294 18300 66 1 11 "Average Difference" HN 30 0.490 -0.111 0.485 18300 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18300 68 1 12 "Average Difference" HA 39 0.407 0.081 0.405 18300 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18300 70 1 12 "Average Difference" CA 34 1.810 0.342 1.804 18300 71 1 12 "Average Difference" CB 29 7.051 -3.122 6.434 18300 72 1 12 "Average Difference" HN 30 0.509 -0.091 0.510 18300 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18300 74 1 13 "Average Difference" HA 39 0.418 0.085 0.415 18300 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18300 76 1 13 "Average Difference" CA 34 1.780 0.374 1.766 18300 77 1 13 "Average Difference" CB 29 7.045 -3.135 6.421 18300 78 1 13 "Average Difference" HN 30 0.499 -0.077 0.501 18300 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18300 80 1 14 "Average Difference" HA 39 0.426 0.077 0.424 18300 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18300 82 1 14 "Average Difference" CA 34 1.783 0.371 1.770 18300 83 1 14 "Average Difference" CB 29 7.061 -3.186 6.413 18300 84 1 14 "Average Difference" HN 30 0.473 -0.084 0.473 18300 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18300 86 1 15 "Average Difference" HA 39 0.414 0.086 0.411 18300 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18300 88 1 15 "Average Difference" CA 34 1.824 0.381 1.810 18300 89 1 15 "Average Difference" CB 29 7.030 -3.140 6.401 18300 90 1 15 "Average Difference" HN 30 0.495 -0.078 0.498 18300 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18300 92 1 16 "Average Difference" HA 39 0.414 0.086 0.410 18300 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18300 94 1 16 "Average Difference" CA 34 1.809 0.411 1.788 18300 95 1 16 "Average Difference" CB 29 7.015 -3.089 6.410 18300 96 1 16 "Average Difference" HN 30 0.513 -0.091 0.513 18300 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18300 98 1 17 "Average Difference" HA 39 0.407 0.082 0.404 18300 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18300 100 1 17 "Average Difference" CA 34 1.816 0.397 1.799 18300 101 1 17 "Average Difference" CB 29 6.939 -3.079 6.329 18300 102 1 17 "Average Difference" HN 30 0.477 -0.098 0.475 18300 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18300 104 1 18 "Average Difference" HA 39 0.416 0.077 0.414 18300 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18300 106 1 18 "Average Difference" CA 34 1.820 0.397 1.803 18300 107 1 18 "Average Difference" CB 29 6.993 -3.112 6.373 18300 108 1 18 "Average Difference" HN 30 0.496 -0.063 0.501 18300 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18300 110 1 19 "Average Difference" HA 39 0.422 0.093 0.417 18300 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18300 112 1 19 "Average Difference" CA 34 1.829 0.402 1.811 18300 113 1 19 "Average Difference" CB 29 6.977 -3.063 6.380 18300 114 1 19 "Average Difference" HN 30 0.487 -0.067 0.491 18300 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18300 116 1 20 "Average Difference" HA 39 0.421 0.096 0.415 18300 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18300 118 1 20 "Average Difference" CA 34 1.854 0.334 1.851 18300 119 1 20 "Average Difference" CB 29 7.000 -3.122 6.376 18300 120 1 20 "Average Difference" HN 30 0.483 -0.095 0.482 18300 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 18300 _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 3 3 CYS HA H 3 4.345 4.345 5.256 -0.911 18300 2 1 . 1 1 3 3 CYS CA C 3 53.485 53.485 54.486 -1.001 18300 3 1 . 1 1 3 3 CYS CB C 3 43.302 43.302 29.770 13.532 18300 4 1 . 1 1 3 3 CYS H H 3 7.453 7.453 7.575 -0.122 18300 5 1 . 1 1 4 4 ALA HA H 4 4.569 4.569 4.667 -0.098 18300 6 1 . 1 1 4 4 ALA CA C 4 50.700 50.700 50.627 0.073 18300 7 1 . 1 1 4 4 ALA CB C 4 23.045 23.045 20.944 2.101 18300 8 1 . 1 1 4 4 ALA H H 4 8.479 8.479 8.271 0.208 18300 9 1 . 1 1 5 5 PHE HA H 5 4.579 4.579 4.696 -0.117 18300 10 1 . 1 1 5 5 PHE CA C 5 55.510 55.510 55.559 -0.049 18300 11 1 . 1 1 5 5 PHE CB C 5 39.865 39.865 40.437 -0.572 18300 12 1 . 1 1 5 5 PHE H H 5 7.862 7.862 7.857 0.005 18300 13 1 . 1 1 6 6 GLU HA H 6 3.641 3.641 4.059 -0.418 18300 14 1 . 1 1 6 6 GLU CA C 6 57.762 57.762 57.899 -0.137 18300 15 1 . 1 1 6 6 GLU CB C 6 27.895 27.895 29.781 -1.886 18300 16 1 . 1 1 6 6 GLU H H 6 8.271 8.271 8.569 -0.298 18300 17 1 . 1 1 7 7 GLY CA C 7 44.931 44.931 44.923 0.008 18300 18 1 . 1 1 7 7 GLY H H 7 9.358 9.358 8.556 0.802 18300 19 1 . 1 1 8 8 GLU HA H 8 4.632 4.632 4.671 -0.039 18300 20 1 . 1 1 8 8 GLU CA C 8 53.905 53.905 53.960 -0.055 18300 21 1 . 1 1 8 8 GLU CB C 8 33.672 33.672 31.447 2.225 18300 22 1 . 1 1 8 8 GLU H H 8 7.811 7.811 7.689 0.122 18300 23 1 . 1 1 9 9 SER HA H 9 4.969 4.969 5.350 -0.381 18300 24 1 . 1 1 9 9 SER CA C 9 59.134 59.134 57.509 1.625 18300 25 1 . 1 1 9 9 SER CB C 9 64.097 64.097 64.401 -0.304 18300 26 1 . 1 1 9 9 SER H H 9 8.309 8.309 8.368 -0.059 18300 27 1 . 1 1 10 10 CYS HA H 10 5.387 5.387 4.857 0.530 18300 28 1 . 1 1 10 10 CYS CA C 10 52.922 52.922 57.020 -4.098 18300 29 1 . 1 1 10 10 CYS CB C 10 51.011 51.011 29.955 21.056 18300 30 1 . 1 1 10 10 CYS H H 10 8.540 8.540 9.044 -0.504 18300 31 1 . 1 1 11 11 ASN HA H 11 5.385 5.385 5.127 0.258 18300 32 1 . 1 1 11 11 ASN CA C 11 52.927 52.927 52.425 0.502 18300 33 1 . 1 1 11 11 ASN CB C 11 42.843 42.843 40.308 2.535 18300 34 1 . 1 1 11 11 ASN H H 11 8.727 8.727 8.494 0.233 18300 35 1 . 1 1 12 12 VAL HA H 12 3.650 3.650 3.932 -0.282 18300 36 1 . 1 1 12 12 VAL CA C 12 65.416 65.416 63.748 1.668 18300 37 1 . 1 1 12 12 VAL CB C 12 31.816 31.816 31.232 0.584 18300 38 1 . 1 1 12 12 VAL H H 12 8.498 8.498 8.479 0.019 18300 39 1 . 1 1 13 13 GLN HA H 13 4.273 4.273 4.269 0.004 18300 40 1 . 1 1 13 13 GLN CA C 13 53.999 53.999 57.169 -3.170 18300 41 1 . 1 1 13 13 GLN CB C 13 30.235 30.235 29.770 0.465 18300 42 1 . 1 1 13 13 GLN H H 13 7.749 7.749 7.674 0.075 18300 43 1 . 1 1 14 14 PHE HA H 14 4.832 4.832 4.721 0.111 18300 44 1 . 1 1 14 14 PHE CA C 14 58.196 58.196 57.760 0.436 18300 45 1 . 1 1 14 14 PHE CB C 14 42.137 42.137 40.429 1.708 18300 46 1 . 1 1 14 14 PHE H H 14 8.178 8.178 6.905 1.273 18300 47 1 . 1 1 15 15 TYR HA H 15 4.821 4.821 5.152 -0.331 18300 48 1 . 1 1 15 15 TYR CA C 15 57.446 57.446 55.166 2.280 18300 49 1 . 1 1 15 15 TYR CB C 15 39.031 39.031 40.738 -1.707 18300 50 1 . 1 1 15 15 TYR H H 15 8.605 8.605 7.524 1.081 18300 51 1 . 1 1 16 16 PRO HA H 16 4.267 4.267 4.472 -0.205 18300 52 1 . 1 1 16 16 PRO CA C 16 62.374 62.374 62.107 0.267 18300 53 1 . 1 1 16 16 PRO CB C 16 31.993 31.993 33.466 -1.473 18300 54 1 . 1 1 17 17 CYS HA H 17 4.841 4.841 4.636 0.205 18300 55 1 . 1 1 17 17 CYS CA C 17 55.895 55.895 58.186 -2.291 18300 56 1 . 1 1 17 17 CYS CB C 17 40.665 40.665 28.317 12.348 18300 57 1 . 1 1 17 17 CYS H H 17 8.138 8.138 8.266 -0.128 18300 58 1 . 1 1 18 18 CYS HA H 18 4.516 4.516 4.657 -0.141 18300 59 1 . 1 1 18 18 CYS CA C 18 53.001 53.001 57.184 -4.183 18300 60 1 . 1 1 18 18 CYS CB C 18 38.709 38.709 25.568 13.141 18300 61 1 . 1 1 18 18 CYS H H 18 9.645 9.645 8.643 1.002 18300 62 1 . 1 1 19 19 PRO HA H 19 4.466 4.466 4.495 -0.029 18300 63 1 . 1 1 19 19 PRO CA C 19 63.016 63.016 62.893 0.123 18300 64 1 . 1 1 19 19 PRO CB C 19 32.092 32.092 32.428 -0.336 18300 65 1 . 1 1 20 20 GLY CA C 20 45.816 45.816 45.258 0.559 18300 66 1 . 1 1 20 20 GLY H H 20 8.510 8.510 8.731 -0.221 18300 67 1 . 1 1 21 21 LEU HA H 21 4.604 4.604 4.422 0.182 18300 68 1 . 1 1 21 21 LEU CA C 21 53.910 53.910 55.275 -1.365 18300 69 1 . 1 1 21 21 LEU CB C 21 43.924 43.924 43.160 0.764 18300 70 1 . 1 1 21 21 LEU H H 21 7.616 7.616 8.008 -0.392 18300 71 1 . 1 1 22 22 GLY CA C 22 46.280 46.280 44.318 1.962 18300 72 1 . 1 1 22 22 GLY H H 22 8.351 8.351 7.965 0.386 18300 73 1 . 1 1 23 23 LEU HA H 23 4.927 4.927 5.682 -0.755 18300 74 1 . 1 1 23 23 LEU CA C 23 50.764 50.764 53.317 -2.553 18300 75 1 . 1 1 23 23 LEU CB C 23 44.260 44.260 45.526 -1.266 18300 76 1 . 1 1 23 23 LEU H H 23 7.695 7.695 7.828 -0.133 18300 77 1 . 1 1 24 24 THR HA H 24 4.370 4.370 4.623 -0.253 18300 78 1 . 1 1 24 24 THR CA C 24 60.616 60.616 60.469 0.147 18300 79 1 . 1 1 24 24 THR CB C 24 70.621 70.621 71.759 -1.138 18300 80 1 . 1 1 24 24 THR H H 24 9.043 9.043 8.811 0.232 18300 81 1 . 1 1 25 25 CYS HA H 25 4.697 4.697 5.236 -0.538 18300 82 1 . 1 1 25 25 CYS CA C 25 54.828 54.828 58.201 -3.373 18300 83 1 . 1 1 25 25 CYS CB C 25 40.389 40.389 27.366 13.023 18300 84 1 . 1 1 25 25 CYS H H 25 8.099 8.099 8.799 -0.700 18300 85 1 . 1 1 26 26 ILE HA H 26 4.628 4.628 4.527 0.101 18300 86 1 . 1 1 26 26 ILE CA C 26 56.991 56.991 59.177 -2.186 18300 87 1 . 1 1 26 26 ILE CB C 26 41.001 41.001 40.951 0.050 18300 88 1 . 1 1 26 26 ILE H H 26 8.555 8.555 8.821 -0.266 18300 89 1 . 1 1 27 27 PRO HA H 27 4.543 4.543 4.404 0.139 18300 90 1 . 1 1 27 27 PRO CA C 27 64.330 64.330 63.454 0.876 18300 91 1 . 1 1 27 27 PRO CB C 27 33.850 33.850 32.419 1.431 18300 92 1 . 1 1 28 28 GLY CA C 28 47.075 47.075 45.128 1.947 18300 93 1 . 1 1 28 28 GLY H H 28 7.880 7.880 8.353 -0.473 18300 94 1 . 1 1 29 29 ASN HA H 29 5.021 5.021 4.990 0.031 18300 95 1 . 1 1 29 29 ASN CA C 29 50.907 50.907 51.755 -0.848 18300 96 1 . 1 1 29 29 ASN CB C 29 38.690 38.690 38.735 -0.045 18300 97 1 . 1 1 29 29 ASN H H 29 7.996 7.996 7.803 0.193 18300 98 1 . 1 1 30 30 PRO HA H 30 4.354 4.354 4.587 -0.233 18300 99 1 . 1 1 30 30 PRO CA C 30 63.520 63.520 63.640 -0.120 18300 100 1 . 1 1 30 30 PRO CB C 30 34.734 34.734 32.655 2.079 18300 101 1 . 1 1 31 31 ASP HA H 31 5.861 5.861 4.874 0.987 18300 102 1 . 1 1 31 31 ASP CA C 31 52.483 52.483 53.562 -1.079 18300 103 1 . 1 1 31 31 ASP CB C 31 40.028 40.028 42.645 -2.617 18300 104 1 . 1 1 31 31 ASP H H 31 8.148 8.148 7.850 0.298 18300 105 1 . 1 1 32 32 GLY CA C 32 47.046 47.046 44.947 2.099 18300 106 1 . 1 1 32 32 GLY H H 32 8.459 8.459 8.330 0.129 18300 107 1 . 1 1 33 33 THR HA H 33 4.835 4.835 5.105 -0.270 18300 108 1 . 1 1 33 33 THR CA C 33 61.752 61.752 60.938 0.814 18300 109 1 . 1 1 33 33 THR CB C 33 71.796 71.796 71.454 0.342 18300 110 1 . 1 1 33 33 THR H H 33 8.667 8.667 8.256 0.411 18300 111 1 . 1 1 34 34 CYS HA H 34 5.129 5.129 5.215 -0.086 18300 112 1 . 1 1 34 34 CYS CA C 34 56.349 56.349 59.241 -2.892 18300 113 1 . 1 1 34 34 CYS CB C 34 42.033 42.033 25.926 16.107 18300 114 1 . 1 1 34 34 CYS H H 34 8.253 8.253 8.646 -0.393 18300 115 1 . 1 1 35 35 TYR HA H 35 4.856 4.856 4.806 0.050 18300 116 1 . 1 1 35 35 TYR CA C 35 56.725 56.725 56.076 0.649 18300 117 1 . 1 1 35 35 TYR CB C 35 42.482 42.482 42.743 -0.261 18300 118 1 . 1 1 35 35 TYR H H 35 9.299 9.299 9.042 0.257 18300 119 1 . 1 1 36 36 TYR HA H 36 4.827 4.827 5.499 -0.672 18300 120 1 . 1 1 36 36 TYR CA C 36 58.241 58.241 57.955 0.286 18300 121 1 . 1 1 36 36 TYR CB C 36 39.095 39.095 39.784 -0.689 18300 122 1 . 1 1 36 36 TYR H H 36 8.548 8.548 8.865 -0.317 18300 stop_ save_