data_18766 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18766 _Entry.PDB_ID 2LZO 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 18766 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER HA H 2 4.613 4.613 4.621 -0.008 18766 2 1 1 . 1 1 2 2 SER CA C 2 57.815 57.815 57.985 -0.170 18766 3 1 1 . 1 1 2 2 SER CB C 2 63.213 63.213 63.845 -0.632 18766 4 1 1 . 1 1 2 2 SER H H 2 8.641 8.641 8.192 0.449 18766 5 1 1 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.220 0.025 18766 6 1 1 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.936 -0.824 18766 7 1 1 . 1 1 3 3 ILE CB C 3 38.386 38.386 39.884 -1.498 18766 8 1 1 . 1 1 3 3 ILE H H 3 8.297 8.297 8.141 0.156 18766 9 1 1 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.682 0.224 18766 10 1 1 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.872 -1.081 18766 11 1 1 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.542 -1.216 18766 12 1 1 . 1 1 4 4 ASP H H 4 8.392 8.392 8.347 0.045 18766 13 1 1 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.562 0.133 18766 14 1 1 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.336 -1.228 18766 15 1 1 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.490 -0.010 18766 16 1 1 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.583 -0.247 18766 17 1 1 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.604 -0.947 18766 18 1 1 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.469 0.236 18766 19 1 1 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.489 11.598 18766 20 1 1 . 1 1 7 7 CYS H H 7 8.431 8.431 8.625 -0.194 18766 21 1 1 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.072 0.160 18766 22 1 1 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.349 -0.967 18766 23 1 1 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.439 0.207 18766 24 1 1 . 1 1 8 8 ARG H H 8 8.371 8.371 8.437 -0.066 18766 25 1 1 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.326 0.085 18766 26 1 1 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.590 -7.840 18766 27 1 1 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.734 -0.067 18766 28 1 1 . 1 1 9 9 PHE H H 9 8.304 8.304 8.389 -0.085 18766 29 1 1 . 1 1 10 10 CYS HA H 10 3.756 3.756 3.976 -0.220 18766 30 1 1 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.790 -0.731 18766 31 1 1 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.631 16.734 18766 32 1 1 . 1 1 10 10 CYS H H 10 8.564 8.564 8.661 -0.097 18766 33 1 1 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.125 -0.025 18766 34 1 1 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.749 0.110 18766 35 1 1 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.405 -1.774 18766 36 1 1 . 1 1 11 11 TYR H H 11 8.239 8.239 8.128 0.111 18766 37 1 1 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.798 0.235 18766 38 1 1 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.713 -1.099 18766 39 1 1 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.116 -1.404 18766 40 1 1 . 1 1 12 12 HIS H H 12 9.283 9.283 8.297 0.986 18766 41 1 1 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.280 0.506 18766 42 1 1 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.168 -1.887 18766 43 1 1 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.587 -0.485 18766 44 1 1 . 1 1 13 13 ARG H H 13 8.941 8.941 8.787 0.154 18766 45 1 1 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.827 0.034 18766 46 1 1 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.253 -1.840 18766 47 1 1 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.939 -1.116 18766 48 1 1 . 1 1 14 14 ASP H H 14 8.831 8.831 8.775 0.056 18766 49 1 1 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.173 -0.152 18766 50 1 1 . 1 1 15 15 GLY H H 15 8.668 8.668 8.522 0.146 18766 51 1 1 . 1 1 16 16 SER HA H 16 4.614 4.614 4.444 0.170 18766 52 1 1 . 1 1 16 16 SER CA C 16 57.346 57.346 58.946 -1.600 18766 53 1 1 . 1 1 16 16 SER CB C 16 63.633 63.633 64.168 -0.535 18766 54 1 1 . 1 1 16 16 SER H H 16 8.231 8.231 8.466 -0.235 18766 55 1 1 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.862 -0.296 18766 56 1 1 . 1 1 17 17 GLY H H 17 8.096 8.096 7.627 0.469 18766 57 1 1 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.080 -0.227 18766 58 1 1 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.205 -0.459 18766 59 1 1 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.958 -3.668 18766 60 1 1 . 1 1 18 18 ASN H H 18 8.317 8.317 8.797 -0.480 18766 61 1 1 . 1 1 19 19 CYS HA H 19 4.819 4.819 5.023 -0.204 18766 62 1 1 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.518 13.730 18766 63 1 1 . 1 1 19 19 CYS H H 19 8.872 8.872 8.567 0.305 18766 64 1 1 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.067 0.627 18766 65 1 1 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.319 -0.893 18766 66 1 1 . 1 1 20 20 VAL H H 20 9.428 9.428 8.319 1.109 18766 67 1 1 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.818 -0.481 18766 68 1 1 . 1 1 21 21 TYR CA C 21 57.848 57.848 57.989 -0.141 18766 69 1 1 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.191 -0.085 18766 70 1 1 . 1 1 21 21 TYR H H 21 8.524 8.524 7.652 0.872 18766 71 1 1 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.463 -0.230 18766 72 1 1 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.633 -1.442 18766 73 1 1 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.175 -2.130 18766 74 1 1 . 1 1 22 22 ASP H H 22 7.968 7.968 8.291 -0.323 18766 75 1 1 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.128 -0.340 18766 76 1 1 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.365 -0.944 18766 77 1 1 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.814 -0.731 18766 78 1 1 . 1 1 23 23 ALA H H 23 7.706 7.706 8.312 -0.606 18766 79 1 1 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.496 -0.055 18766 80 1 1 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.213 -0.922 18766 81 1 1 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.398 -1.419 18766 82 1 1 . 1 1 24 24 TYR H H 24 7.843 7.843 8.084 -0.241 18766 83 1 1 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.811 -0.243 18766 84 1 1 . 1 1 25 25 GLY H H 25 7.747 7.747 7.480 0.267 18766 85 1 1 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.736 -0.048 18766 86 1 1 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.567 13.717 18766 87 1 1 . 1 1 26 26 CYS H H 26 8.091 8.091 8.452 -0.361 18766 88 1 1 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.383 -0.629 18766 89 1 1 . 1 1 27 27 GLY H H 27 8.546 8.546 8.178 0.368 18766 90 1 1 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.426 -0.013 18766 91 1 1 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.094 7.034 18766 92 1 1 . 1 1 28 28 ALA CB C 28 18.606 18.606 18.914 -0.308 18766 93 1 1 . 1 1 28 28 ALA H H 28 8.016 8.016 8.129 -0.113 18766 94 1 2 . 1 1 2 2 SER HA H 2 4.613 4.613 4.885 -0.272 18766 95 1 2 . 1 1 2 2 SER CA C 2 57.815 57.815 58.577 -0.762 18766 96 1 2 . 1 1 2 2 SER CB C 2 63.213 63.213 62.545 0.668 18766 97 1 2 . 1 1 2 2 SER H H 2 8.641 8.641 8.751 -0.110 18766 98 1 2 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.298 -0.053 18766 99 1 2 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.355 -0.243 18766 100 1 2 . 1 1 3 3 ILE CB C 3 38.386 38.386 41.178 -2.792 18766 101 1 2 . 1 1 3 3 ILE H H 3 8.297 8.297 7.538 0.759 18766 102 1 2 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.880 0.026 18766 103 1 2 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.502 -0.711 18766 104 1 2 . 1 1 4 4 ASP CB C 4 39.326 39.326 41.123 -1.797 18766 105 1 2 . 1 1 4 4 ASP H H 4 8.392 8.392 8.313 0.079 18766 106 1 2 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.656 0.039 18766 107 1 2 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.301 -1.193 18766 108 1 2 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.481 -0.001 18766 109 1 2 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.631 -0.295 18766 110 1 2 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.574 -0.917 18766 111 1 2 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.484 0.221 18766 112 1 2 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.487 11.600 18766 113 1 2 . 1 1 7 7 CYS H H 7 8.431 8.431 8.639 -0.208 18766 114 1 2 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.074 0.158 18766 115 1 2 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.401 -1.019 18766 116 1 2 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.437 0.209 18766 117 1 2 . 1 1 8 8 ARG H H 8 8.371 8.371 8.435 -0.064 18766 118 1 2 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.333 0.078 18766 119 1 2 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.297 -7.547 18766 120 1 2 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.699 -0.031 18766 121 1 2 . 1 1 9 9 PHE H H 9 8.304 8.304 8.383 -0.079 18766 122 1 2 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.006 -0.250 18766 123 1 2 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.814 -0.755 18766 124 1 2 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.623 16.742 18766 125 1 2 . 1 1 10 10 CYS H H 10 8.564 8.564 8.742 -0.178 18766 126 1 2 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.120 -0.020 18766 127 1 2 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.746 0.113 18766 128 1 2 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.407 -1.776 18766 129 1 2 . 1 1 11 11 TYR H H 11 8.239 8.239 8.149 0.090 18766 130 1 2 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.795 0.238 18766 131 1 2 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.709 -1.095 18766 132 1 2 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.186 -1.474 18766 133 1 2 . 1 1 12 12 HIS H H 12 9.283 9.283 8.307 0.976 18766 134 1 2 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.276 0.510 18766 135 1 2 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.150 -1.869 18766 136 1 2 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.490 -0.388 18766 137 1 2 . 1 1 13 13 ARG H H 13 8.941 8.941 8.798 0.143 18766 138 1 2 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.850 0.011 18766 139 1 2 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.128 -1.715 18766 140 1 2 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.786 -0.963 18766 141 1 2 . 1 1 14 14 ASP H H 14 8.831 8.831 8.832 -0.001 18766 142 1 2 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.399 -0.378 18766 143 1 2 . 1 1 15 15 GLY H H 15 8.668 8.668 8.513 0.155 18766 144 1 2 . 1 1 16 16 SER HA H 16 4.614 4.614 4.384 0.230 18766 145 1 2 . 1 1 16 16 SER CA C 16 57.346 57.346 58.727 -1.381 18766 146 1 2 . 1 1 16 16 SER CB C 16 63.633 63.633 64.128 -0.495 18766 147 1 2 . 1 1 16 16 SER H H 16 8.231 8.231 8.217 0.014 18766 148 1 2 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.890 -0.324 18766 149 1 2 . 1 1 17 17 GLY H H 17 8.096 8.096 7.750 0.346 18766 150 1 2 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.070 -0.217 18766 151 1 2 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.232 -0.486 18766 152 1 2 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.966 -3.676 18766 153 1 2 . 1 1 18 18 ASN H H 18 8.317 8.317 8.798 -0.481 18766 154 1 2 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.982 -0.163 18766 155 1 2 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.660 13.588 18766 156 1 2 . 1 1 19 19 CYS H H 19 8.872 8.872 8.615 0.257 18766 157 1 2 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.066 0.628 18766 158 1 2 . 1 1 20 20 VAL CB C 20 34.426 34.426 34.925 -0.499 18766 159 1 2 . 1 1 20 20 VAL H H 20 9.428 9.428 8.464 0.964 18766 160 1 2 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.785 -0.448 18766 161 1 2 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.159 -0.311 18766 162 1 2 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.005 0.099 18766 163 1 2 . 1 1 21 21 TYR H H 21 8.524 8.524 7.625 0.899 18766 164 1 2 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.473 -0.240 18766 165 1 2 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.634 -1.443 18766 166 1 2 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.184 -2.139 18766 167 1 2 . 1 1 22 22 ASP H H 22 7.968 7.968 8.288 -0.320 18766 168 1 2 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.166 -0.378 18766 169 1 2 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.101 -0.680 18766 170 1 2 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.755 -0.672 18766 171 1 2 . 1 1 23 23 ALA H H 23 7.706 7.706 8.030 -0.324 18766 172 1 2 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.365 0.076 18766 173 1 2 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.139 -0.848 18766 174 1 2 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.754 -1.775 18766 175 1 2 . 1 1 24 24 TYR H H 24 7.843 7.843 7.791 0.052 18766 176 1 2 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.793 -0.225 18766 177 1 2 . 1 1 25 25 GLY H H 25 7.747 7.747 7.470 0.277 18766 178 1 2 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.746 -0.058 18766 179 1 2 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.514 13.770 18766 180 1 2 . 1 1 26 26 CYS H H 26 8.091 8.091 8.444 -0.353 18766 181 1 2 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.301 -0.547 18766 182 1 2 . 1 1 27 27 GLY H H 27 8.546 8.546 8.527 0.019 18766 183 1 2 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.500 -0.087 18766 184 1 2 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.783 7.345 18766 185 1 2 . 1 1 28 28 ALA CB C 28 18.606 18.606 20.176 -1.570 18766 186 1 2 . 1 1 28 28 ALA H H 28 8.016 8.016 7.804 0.212 18766 187 1 3 . 1 1 2 2 SER HA H 2 4.613 4.613 4.769 -0.156 18766 188 1 3 . 1 1 2 2 SER CA C 2 57.815 57.815 57.824 -0.009 18766 189 1 3 . 1 1 2 2 SER CB C 2 63.213 63.213 65.115 -1.902 18766 190 1 3 . 1 1 2 2 SER H H 2 8.641 8.641 8.039 0.602 18766 191 1 3 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.252 -0.007 18766 192 1 3 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.785 -0.673 18766 193 1 3 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.466 -0.080 18766 194 1 3 . 1 1 3 3 ILE H H 3 8.297 8.297 8.332 -0.035 18766 195 1 3 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.664 0.242 18766 196 1 3 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.878 -1.087 18766 197 1 3 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.536 -1.210 18766 198 1 3 . 1 1 4 4 ASP H H 4 8.392 8.392 8.362 0.030 18766 199 1 3 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.563 0.132 18766 200 1 3 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.335 -1.227 18766 201 1 3 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.496 -0.016 18766 202 1 3 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.592 -0.256 18766 203 1 3 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.613 -0.956 18766 204 1 3 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.478 0.227 18766 205 1 3 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.505 11.582 18766 206 1 3 . 1 1 7 7 CYS H H 7 8.431 8.431 8.635 -0.204 18766 207 1 3 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.073 0.159 18766 208 1 3 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.324 -0.942 18766 209 1 3 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.427 0.219 18766 210 1 3 . 1 1 8 8 ARG H H 8 8.371 8.371 8.442 -0.071 18766 211 1 3 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.334 0.077 18766 212 1 3 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.165 -7.415 18766 213 1 3 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.633 0.035 18766 214 1 3 . 1 1 9 9 PHE H H 9 8.304 8.304 8.400 -0.096 18766 215 1 3 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.028 -0.272 18766 216 1 3 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.834 -0.775 18766 217 1 3 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.634 16.731 18766 218 1 3 . 1 1 10 10 CYS H H 10 8.564 8.564 8.791 -0.227 18766 219 1 3 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.124 -0.024 18766 220 1 3 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.759 0.100 18766 221 1 3 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.418 -1.787 18766 222 1 3 . 1 1 11 11 TYR H H 11 8.239 8.239 8.160 0.079 18766 223 1 3 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.812 0.221 18766 224 1 3 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.729 -1.115 18766 225 1 3 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.132 -1.420 18766 226 1 3 . 1 1 12 12 HIS H H 12 9.283 9.283 8.318 0.965 18766 227 1 3 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.277 0.509 18766 228 1 3 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.179 -1.898 18766 229 1 3 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.560 -0.458 18766 230 1 3 . 1 1 13 13 ARG H H 13 8.941 8.941 8.801 0.140 18766 231 1 3 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.878 -0.017 18766 232 1 3 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.227 -1.814 18766 233 1 3 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.712 -0.889 18766 234 1 3 . 1 1 14 14 ASP H H 14 8.831 8.831 8.845 -0.014 18766 235 1 3 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.248 -0.227 18766 236 1 3 . 1 1 15 15 GLY H H 15 8.668 8.668 8.701 -0.033 18766 237 1 3 . 1 1 16 16 SER HA H 16 4.614 4.614 4.355 0.259 18766 238 1 3 . 1 1 16 16 SER CA C 16 57.346 57.346 58.666 -1.321 18766 239 1 3 . 1 1 16 16 SER CB C 16 63.633 63.633 63.949 -0.316 18766 240 1 3 . 1 1 16 16 SER H H 16 8.231 8.231 8.450 -0.219 18766 241 1 3 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.770 -0.204 18766 242 1 3 . 1 1 17 17 GLY H H 17 8.096 8.096 7.805 0.291 18766 243 1 3 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.029 -0.176 18766 244 1 3 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.349 -0.603 18766 245 1 3 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.717 -3.427 18766 246 1 3 . 1 1 18 18 ASN H H 18 8.317 8.317 8.952 -0.635 18766 247 1 3 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.997 -0.178 18766 248 1 3 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.648 13.600 18766 249 1 3 . 1 1 19 19 CYS H H 19 8.872 8.872 8.621 0.251 18766 250 1 3 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.063 0.631 18766 251 1 3 . 1 1 20 20 VAL CB C 20 34.426 34.426 34.925 -0.499 18766 252 1 3 . 1 1 20 20 VAL H H 20 9.428 9.428 8.453 0.975 18766 253 1 3 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.784 -0.447 18766 254 1 3 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.137 -0.289 18766 255 1 3 . 1 1 21 21 TYR CB C 21 38.105 38.105 37.990 0.115 18766 256 1 3 . 1 1 21 21 TYR H H 21 8.524 8.524 7.618 0.906 18766 257 1 3 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.480 -0.247 18766 258 1 3 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.635 -1.444 18766 259 1 3 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.167 -2.122 18766 260 1 3 . 1 1 22 22 ASP H H 22 7.968 7.968 8.291 -0.323 18766 261 1 3 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.069 -0.281 18766 262 1 3 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.245 -0.824 18766 263 1 3 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.680 -0.597 18766 264 1 3 . 1 1 23 23 ALA H H 23 7.706 7.706 8.271 -0.565 18766 265 1 3 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.462 -0.021 18766 266 1 3 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.564 -1.273 18766 267 1 3 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.558 -1.579 18766 268 1 3 . 1 1 24 24 TYR H H 24 7.843 7.843 8.013 -0.170 18766 269 1 3 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.759 -0.191 18766 270 1 3 . 1 1 25 25 GLY H H 25 7.747 7.747 7.472 0.275 18766 271 1 3 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.743 -0.055 18766 272 1 3 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.491 13.793 18766 273 1 3 . 1 1 26 26 CYS H H 26 8.091 8.091 8.441 -0.350 18766 274 1 3 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.281 -0.527 18766 275 1 3 . 1 1 27 27 GLY H H 27 8.546 8.546 8.519 0.027 18766 276 1 3 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.496 -0.083 18766 277 1 3 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.710 7.418 18766 278 1 3 . 1 1 28 28 ALA CB C 28 18.606 18.606 20.136 -1.530 18766 279 1 3 . 1 1 28 28 ALA H H 28 8.016 8.016 7.731 0.285 18766 280 1 4 . 1 1 2 2 SER HA H 2 4.613 4.613 4.761 -0.148 18766 281 1 4 . 1 1 2 2 SER CA C 2 57.815 57.815 57.556 0.259 18766 282 1 4 . 1 1 2 2 SER CB C 2 63.213 63.213 64.675 -1.462 18766 283 1 4 . 1 1 2 2 SER H H 2 8.641 8.641 7.959 0.682 18766 284 1 4 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.349 -0.104 18766 285 1 4 . 1 1 3 3 ILE CA C 3 60.112 60.112 61.049 -0.937 18766 286 1 4 . 1 1 3 3 ILE CB C 3 38.386 38.386 40.002 -1.616 18766 287 1 4 . 1 1 3 3 ILE H H 3 8.297 8.297 8.268 0.029 18766 288 1 4 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.786 0.120 18766 289 1 4 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.688 -0.897 18766 290 1 4 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.809 -1.483 18766 291 1 4 . 1 1 4 4 ASP H H 4 8.392 8.392 8.396 -0.004 18766 292 1 4 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.582 0.113 18766 293 1 4 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.380 -1.272 18766 294 1 4 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.494 -0.014 18766 295 1 4 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.577 -0.241 18766 296 1 4 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.601 -0.944 18766 297 1 4 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.465 0.240 18766 298 1 4 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.472 11.615 18766 299 1 4 . 1 1 7 7 CYS H H 7 8.431 8.431 8.628 -0.197 18766 300 1 4 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.070 0.162 18766 301 1 4 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.412 -1.030 18766 302 1 4 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.440 0.206 18766 303 1 4 . 1 1 8 8 ARG H H 8 8.371 8.371 8.435 -0.064 18766 304 1 4 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.330 0.081 18766 305 1 4 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.438 -7.688 18766 306 1 4 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.723 -0.055 18766 307 1 4 . 1 1 9 9 PHE H H 9 8.304 8.304 8.385 -0.081 18766 308 1 4 . 1 1 10 10 CYS HA H 10 3.756 3.756 3.992 -0.236 18766 309 1 4 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.802 -0.743 18766 310 1 4 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.661 16.704 18766 311 1 4 . 1 1 10 10 CYS H H 10 8.564 8.564 8.691 -0.127 18766 312 1 4 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.123 -0.023 18766 313 1 4 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.772 0.087 18766 314 1 4 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.437 -1.806 18766 315 1 4 . 1 1 11 11 TYR H H 11 8.239 8.239 8.134 0.105 18766 316 1 4 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.808 0.225 18766 317 1 4 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.732 -1.118 18766 318 1 4 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.116 -1.404 18766 319 1 4 . 1 1 12 12 HIS H H 12 9.283 9.283 8.328 0.955 18766 320 1 4 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.278 0.508 18766 321 1 4 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.190 -1.909 18766 322 1 4 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.546 -0.444 18766 323 1 4 . 1 1 13 13 ARG H H 13 8.941 8.941 8.799 0.142 18766 324 1 4 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.885 -0.024 18766 325 1 4 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.206 -1.793 18766 326 1 4 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.727 -0.904 18766 327 1 4 . 1 1 14 14 ASP H H 14 8.831 8.831 8.851 -0.020 18766 328 1 4 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.283 -0.262 18766 329 1 4 . 1 1 15 15 GLY H H 15 8.668 8.668 8.692 -0.024 18766 330 1 4 . 1 1 16 16 SER HA H 16 4.614 4.614 4.419 0.195 18766 331 1 4 . 1 1 16 16 SER CA C 16 57.346 57.346 58.849 -1.503 18766 332 1 4 . 1 1 16 16 SER CB C 16 63.633 63.633 64.197 -0.564 18766 333 1 4 . 1 1 16 16 SER H H 16 8.231 8.231 8.262 -0.031 18766 334 1 4 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.802 -0.236 18766 335 1 4 . 1 1 17 17 GLY H H 17 8.096 8.096 7.825 0.271 18766 336 1 4 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.134 -0.281 18766 337 1 4 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.345 -0.599 18766 338 1 4 . 1 1 18 18 ASN CB C 18 39.290 39.290 43.118 -3.828 18766 339 1 4 . 1 1 18 18 ASN H H 18 8.317 8.317 8.966 -0.649 18766 340 1 4 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.989 -0.170 18766 341 1 4 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.363 13.885 18766 342 1 4 . 1 1 19 19 CYS H H 19 8.872 8.872 8.586 0.286 18766 343 1 4 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.087 0.607 18766 344 1 4 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.279 -0.853 18766 345 1 4 . 1 1 20 20 VAL H H 20 9.428 9.428 8.392 1.036 18766 346 1 4 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.801 -0.464 18766 347 1 4 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.010 -0.162 18766 348 1 4 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.163 -0.058 18766 349 1 4 . 1 1 21 21 TYR H H 21 8.524 8.524 7.632 0.892 18766 350 1 4 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.468 -0.235 18766 351 1 4 . 1 1 22 22 ASP CA C 22 52.191 52.191 54.097 -1.906 18766 352 1 4 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.264 -2.219 18766 353 1 4 . 1 1 22 22 ASP H H 22 7.968 7.968 8.284 -0.316 18766 354 1 4 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.124 -0.336 18766 355 1 4 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.029 -0.608 18766 356 1 4 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.723 -0.640 18766 357 1 4 . 1 1 23 23 ALA H H 23 7.706 7.706 8.075 -0.369 18766 358 1 4 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.354 0.087 18766 359 1 4 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.359 -1.068 18766 360 1 4 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.774 -1.795 18766 361 1 4 . 1 1 24 24 TYR H H 24 7.843 7.843 7.726 0.117 18766 362 1 4 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.761 -0.194 18766 363 1 4 . 1 1 25 25 GLY H H 25 7.747 7.747 7.453 0.294 18766 364 1 4 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.678 0.010 18766 365 1 4 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.419 13.865 18766 366 1 4 . 1 1 26 26 CYS H H 26 8.091 8.091 8.537 -0.446 18766 367 1 4 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.041 -0.287 18766 368 1 4 . 1 1 27 27 GLY H H 27 8.546 8.546 8.316 0.230 18766 369 1 4 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.551 -0.138 18766 370 1 4 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.480 7.649 18766 371 1 4 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.569 -0.963 18766 372 1 4 . 1 1 28 28 ALA H H 28 8.016 8.016 7.912 0.104 18766 373 1 5 . 1 1 2 2 SER HA H 2 4.613 4.613 4.857 -0.244 18766 374 1 5 . 1 1 2 2 SER CA C 2 57.815 57.815 57.509 0.306 18766 375 1 5 . 1 1 2 2 SER CB C 2 63.213 63.213 65.006 -1.793 18766 376 1 5 . 1 1 2 2 SER H H 2 8.641 8.641 8.186 0.455 18766 377 1 5 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.324 -0.079 18766 378 1 5 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.897 -0.785 18766 379 1 5 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.520 -0.133 18766 380 1 5 . 1 1 3 3 ILE H H 3 8.297 8.297 8.351 -0.054 18766 381 1 5 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.768 0.138 18766 382 1 5 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.531 -0.740 18766 383 1 5 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.528 -1.202 18766 384 1 5 . 1 1 4 4 ASP H H 4 8.392 8.392 8.344 0.048 18766 385 1 5 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.593 0.102 18766 386 1 5 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.318 -1.210 18766 387 1 5 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.498 -0.018 18766 388 1 5 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.604 -0.268 18766 389 1 5 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.609 -0.952 18766 390 1 5 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.488 0.217 18766 391 1 5 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.542 11.545 18766 392 1 5 . 1 1 7 7 CYS H H 7 8.431 8.431 8.636 -0.205 18766 393 1 5 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.075 0.157 18766 394 1 5 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.297 -0.916 18766 395 1 5 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.425 0.221 18766 396 1 5 . 1 1 8 8 ARG H H 8 8.371 8.371 8.441 -0.070 18766 397 1 5 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.332 0.079 18766 398 1 5 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.232 -7.482 18766 399 1 5 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.642 0.025 18766 400 1 5 . 1 1 9 9 PHE H H 9 8.304 8.304 8.401 -0.097 18766 401 1 5 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.017 -0.261 18766 402 1 5 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.825 -0.766 18766 403 1 5 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.631 16.734 18766 404 1 5 . 1 1 10 10 CYS H H 10 8.564 8.564 8.769 -0.205 18766 405 1 5 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.119 -0.019 18766 406 1 5 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.743 0.116 18766 407 1 5 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.398 -1.767 18766 408 1 5 . 1 1 11 11 TYR H H 11 8.239 8.239 8.147 0.092 18766 409 1 5 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.799 0.234 18766 410 1 5 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.718 -1.104 18766 411 1 5 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.108 -1.396 18766 412 1 5 . 1 1 12 12 HIS H H 12 9.283 9.283 8.305 0.978 18766 413 1 5 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.264 0.522 18766 414 1 5 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.214 -1.933 18766 415 1 5 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.560 -0.458 18766 416 1 5 . 1 1 13 13 ARG H H 13 8.941 8.941 8.789 0.152 18766 417 1 5 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.825 0.036 18766 418 1 5 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.251 -1.838 18766 419 1 5 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.964 -1.141 18766 420 1 5 . 1 1 14 14 ASP H H 14 8.831 8.831 8.765 0.066 18766 421 1 5 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.043 -0.022 18766 422 1 5 . 1 1 15 15 GLY H H 15 8.668 8.668 8.534 0.134 18766 423 1 5 . 1 1 16 16 SER HA H 16 4.614 4.614 4.364 0.250 18766 424 1 5 . 1 1 16 16 SER CA C 16 57.346 57.346 59.138 -1.792 18766 425 1 5 . 1 1 16 16 SER CB C 16 63.633 63.633 64.197 -0.564 18766 426 1 5 . 1 1 16 16 SER H H 16 8.231 8.231 8.565 -0.334 18766 427 1 5 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.963 -0.397 18766 428 1 5 . 1 1 17 17 GLY H H 17 8.096 8.096 7.712 0.385 18766 429 1 5 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.077 -0.224 18766 430 1 5 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.099 -0.353 18766 431 1 5 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.732 -3.442 18766 432 1 5 . 1 1 18 18 ASN H H 18 8.317 8.317 8.750 -0.433 18766 433 1 5 . 1 1 19 19 CYS HA H 19 4.819 4.819 5.010 -0.191 18766 434 1 5 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.554 13.694 18766 435 1 5 . 1 1 19 19 CYS H H 19 8.872 8.872 8.628 0.244 18766 436 1 5 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.130 0.564 18766 437 1 5 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.241 -0.815 18766 438 1 5 . 1 1 20 20 VAL H H 20 9.428 9.428 8.406 1.022 18766 439 1 5 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.771 -0.434 18766 440 1 5 . 1 1 21 21 TYR CA C 21 57.848 57.848 57.977 -0.129 18766 441 1 5 . 1 1 21 21 TYR CB C 21 38.105 38.105 37.968 0.137 18766 442 1 5 . 1 1 21 21 TYR H H 21 8.524 8.524 7.630 0.894 18766 443 1 5 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.436 -0.203 18766 444 1 5 . 1 1 22 22 ASP CA C 22 52.191 52.191 54.123 -1.932 18766 445 1 5 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.281 -2.236 18766 446 1 5 . 1 1 22 22 ASP H H 22 7.968 7.968 8.285 -0.317 18766 447 1 5 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.123 -0.335 18766 448 1 5 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.389 -0.968 18766 449 1 5 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.877 -0.794 18766 450 1 5 . 1 1 23 23 ALA H H 23 7.706 7.706 8.338 -0.632 18766 451 1 5 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.510 -0.069 18766 452 1 5 . 1 1 24 24 TYR CA C 24 57.291 57.291 57.677 -0.386 18766 453 1 5 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.340 -1.361 18766 454 1 5 . 1 1 24 24 TYR H H 24 7.843 7.843 8.103 -0.260 18766 455 1 5 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.767 -0.199 18766 456 1 5 . 1 1 25 25 GLY H H 25 7.747 7.747 7.497 0.250 18766 457 1 5 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.642 0.046 18766 458 1 5 . 1 1 26 26 CYS CB C 26 40.284 40.284 25.951 14.333 18766 459 1 5 . 1 1 26 26 CYS H H 26 8.091 8.091 8.171 -0.080 18766 460 1 5 . 1 1 27 27 GLY CA C 27 44.754 44.754 44.760 -0.006 18766 461 1 5 . 1 1 27 27 GLY H H 27 8.546 8.546 7.813 0.733 18766 462 1 5 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.546 -0.133 18766 463 1 5 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.747 7.381 18766 464 1 5 . 1 1 28 28 ALA CB C 28 18.606 18.606 20.057 -1.451 18766 465 1 5 . 1 1 28 28 ALA H H 28 8.016 8.016 8.116 -0.100 18766 466 1 6 . 1 1 2 2 SER HA H 2 4.613 4.613 4.834 -0.221 18766 467 1 6 . 1 1 2 2 SER CA C 2 57.815 57.815 57.899 -0.084 18766 468 1 6 . 1 1 2 2 SER CB C 2 63.213 63.213 64.043 -0.830 18766 469 1 6 . 1 1 2 2 SER H H 2 8.641 8.641 8.221 0.420 18766 470 1 6 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.249 -0.004 18766 471 1 6 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.680 -0.568 18766 472 1 6 . 1 1 3 3 ILE CB C 3 38.386 38.386 39.089 -0.703 18766 473 1 6 . 1 1 3 3 ILE H H 3 8.297 8.297 8.319 -0.022 18766 474 1 6 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.725 0.181 18766 475 1 6 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.509 -0.718 18766 476 1 6 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.930 -1.604 18766 477 1 6 . 1 1 4 4 ASP H H 4 8.392 8.392 8.409 -0.017 18766 478 1 6 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.642 0.053 18766 479 1 6 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.260 -1.152 18766 480 1 6 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.483 -0.003 18766 481 1 6 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.672 -0.336 18766 482 1 6 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.590 -0.933 18766 483 1 6 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.523 0.182 18766 484 1 6 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.632 11.455 18766 485 1 6 . 1 1 7 7 CYS H H 7 8.431 8.431 8.637 -0.206 18766 486 1 6 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.093 0.139 18766 487 1 6 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.307 -0.925 18766 488 1 6 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.423 0.223 18766 489 1 6 . 1 1 8 8 ARG H H 8 8.371 8.371 8.466 -0.095 18766 490 1 6 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.320 0.091 18766 491 1 6 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.661 -7.911 18766 492 1 6 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.723 -0.055 18766 493 1 6 . 1 1 9 9 PHE H H 9 8.304 8.304 8.413 -0.109 18766 494 1 6 . 1 1 10 10 CYS HA H 10 3.756 3.756 3.972 -0.216 18766 495 1 6 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.787 -0.728 18766 496 1 6 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.635 16.730 18766 497 1 6 . 1 1 10 10 CYS H H 10 8.564 8.564 8.647 -0.083 18766 498 1 6 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.129 -0.029 18766 499 1 6 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.708 0.152 18766 500 1 6 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.392 -1.761 18766 501 1 6 . 1 1 11 11 TYR H H 11 8.239 8.239 8.127 0.112 18766 502 1 6 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.731 0.302 18766 503 1 6 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.752 -1.138 18766 504 1 6 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.370 -1.658 18766 505 1 6 . 1 1 12 12 HIS H H 12 9.283 9.283 8.278 1.005 18766 506 1 6 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.363 0.423 18766 507 1 6 . 1 1 13 13 ARG CA C 13 55.281 55.281 56.808 -1.527 18766 508 1 6 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.069 0.033 18766 509 1 6 . 1 1 13 13 ARG H H 13 8.941 8.941 8.800 0.141 18766 510 1 6 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.789 0.072 18766 511 1 6 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.112 -1.699 18766 512 1 6 . 1 1 14 14 ASP CB C 14 40.823 40.823 42.201 -1.378 18766 513 1 6 . 1 1 14 14 ASP H H 14 8.831 8.831 8.778 0.053 18766 514 1 6 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.051 -0.030 18766 515 1 6 . 1 1 15 15 GLY H H 15 8.668 8.668 8.594 0.074 18766 516 1 6 . 1 1 16 16 SER HA H 16 4.614 4.614 4.354 0.260 18766 517 1 6 . 1 1 16 16 SER CA C 16 57.346 57.346 58.793 -1.447 18766 518 1 6 . 1 1 16 16 SER CB C 16 63.633 63.633 63.959 -0.326 18766 519 1 6 . 1 1 16 16 SER H H 16 8.231 8.231 8.585 -0.354 18766 520 1 6 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.732 -0.166 18766 521 1 6 . 1 1 17 17 GLY H H 17 8.096 8.096 7.726 0.370 18766 522 1 6 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.094 -0.241 18766 523 1 6 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.035 -0.289 18766 524 1 6 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.903 -3.613 18766 525 1 6 . 1 1 18 18 ASN H H 18 8.317 8.317 8.899 -0.582 18766 526 1 6 . 1 1 19 19 CYS HA H 19 4.819 4.819 5.022 -0.203 18766 527 1 6 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.601 13.647 18766 528 1 6 . 1 1 19 19 CYS H H 19 8.872 8.872 8.661 0.211 18766 529 1 6 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.058 0.636 18766 530 1 6 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.025 -0.599 18766 531 1 6 . 1 1 20 20 VAL H H 20 9.428 9.428 8.284 1.144 18766 532 1 6 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.805 -0.468 18766 533 1 6 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.113 -0.265 18766 534 1 6 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.032 0.073 18766 535 1 6 . 1 1 21 21 TYR H H 21 8.524 8.524 7.645 0.879 18766 536 1 6 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.476 -0.242 18766 537 1 6 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.616 -1.425 18766 538 1 6 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.179 -2.134 18766 539 1 6 . 1 1 22 22 ASP H H 22 7.968 7.968 8.298 -0.330 18766 540 1 6 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.177 -0.389 18766 541 1 6 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.169 -0.748 18766 542 1 6 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.695 -0.612 18766 543 1 6 . 1 1 23 23 ALA H H 23 7.706 7.706 8.047 -0.341 18766 544 1 6 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.380 0.061 18766 545 1 6 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.072 -0.780 18766 546 1 6 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.630 -1.651 18766 547 1 6 . 1 1 24 24 TYR H H 24 7.843 7.843 7.818 0.025 18766 548 1 6 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.791 -0.223 18766 549 1 6 . 1 1 25 25 GLY H H 25 7.747 7.747 7.480 0.267 18766 550 1 6 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.744 -0.056 18766 551 1 6 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.653 13.631 18766 552 1 6 . 1 1 26 26 CYS H H 26 8.091 8.091 8.451 -0.360 18766 553 1 6 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.186 -0.432 18766 554 1 6 . 1 1 27 27 GLY H H 27 8.546 8.546 8.109 0.437 18766 555 1 6 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.484 -0.071 18766 556 1 6 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.480 6.648 18766 557 1 6 . 1 1 28 28 ALA CB C 28 18.606 18.606 18.957 -0.351 18766 558 1 6 . 1 1 28 28 ALA H H 28 8.016 8.016 8.322 -0.306 18766 559 1 7 . 1 1 2 2 SER HA H 2 4.613 4.613 4.789 -0.176 18766 560 1 7 . 1 1 2 2 SER CA C 2 57.815 57.815 57.597 0.218 18766 561 1 7 . 1 1 2 2 SER CB C 2 63.213 63.213 64.010 -0.797 18766 562 1 7 . 1 1 2 2 SER H H 2 8.641 8.641 8.225 0.416 18766 563 1 7 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.232 0.013 18766 564 1 7 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.830 -0.718 18766 565 1 7 . 1 1 3 3 ILE CB C 3 38.386 38.386 39.679 -1.293 18766 566 1 7 . 1 1 3 3 ILE H H 3 8.297 8.297 8.228 0.069 18766 567 1 7 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.752 0.154 18766 568 1 7 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.614 -0.823 18766 569 1 7 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.651 -1.325 18766 570 1 7 . 1 1 4 4 ASP H H 4 8.392 8.392 8.401 -0.009 18766 571 1 7 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.577 0.118 18766 572 1 7 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.348 -1.240 18766 573 1 7 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.495 -0.015 18766 574 1 7 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.580 -0.243 18766 575 1 7 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.604 -0.947 18766 576 1 7 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.465 0.240 18766 577 1 7 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.485 11.601 18766 578 1 7 . 1 1 7 7 CYS H H 7 8.431 8.431 8.620 -0.189 18766 579 1 7 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.080 0.152 18766 580 1 7 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.335 -0.953 18766 581 1 7 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.402 0.244 18766 582 1 7 . 1 1 8 8 ARG H H 8 8.371 8.371 8.457 -0.086 18766 583 1 7 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.328 0.083 18766 584 1 7 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.259 -7.509 18766 585 1 7 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.618 0.050 18766 586 1 7 . 1 1 9 9 PHE H H 9 8.304 8.304 8.421 -0.117 18766 587 1 7 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.020 -0.264 18766 588 1 7 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.832 -0.773 18766 589 1 7 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.620 16.745 18766 590 1 7 . 1 1 10 10 CYS H H 10 8.564 8.564 8.773 -0.209 18766 591 1 7 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.121 -0.021 18766 592 1 7 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.776 0.083 18766 593 1 7 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.428 -1.797 18766 594 1 7 . 1 1 11 11 TYR H H 11 8.239 8.239 8.158 0.081 18766 595 1 7 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.800 0.233 18766 596 1 7 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.699 -1.085 18766 597 1 7 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.198 -1.486 18766 598 1 7 . 1 1 12 12 HIS H H 12 9.283 9.283 8.311 0.972 18766 599 1 7 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.287 0.499 18766 600 1 7 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.111 -1.830 18766 601 1 7 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.582 -0.480 18766 602 1 7 . 1 1 13 13 ARG H H 13 8.941 8.941 8.793 0.148 18766 603 1 7 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.819 0.043 18766 604 1 7 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.198 -1.785 18766 605 1 7 . 1 1 14 14 ASP CB C 14 40.823 40.823 42.030 -1.207 18766 606 1 7 . 1 1 14 14 ASP H H 14 8.831 8.831 8.732 0.099 18766 607 1 7 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.114 -0.093 18766 608 1 7 . 1 1 15 15 GLY H H 15 8.668 8.668 8.455 0.213 18766 609 1 7 . 1 1 16 16 SER HA H 16 4.614 4.614 4.377 0.237 18766 610 1 7 . 1 1 16 16 SER CA C 16 57.346 57.346 59.110 -1.764 18766 611 1 7 . 1 1 16 16 SER CB C 16 63.633 63.633 64.166 -0.533 18766 612 1 7 . 1 1 16 16 SER H H 16 8.231 8.231 8.423 -0.192 18766 613 1 7 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.916 -0.350 18766 614 1 7 . 1 1 17 17 GLY H H 17 8.096 8.096 7.707 0.389 18766 615 1 7 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.059 -0.206 18766 616 1 7 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.317 -0.571 18766 617 1 7 . 1 1 18 18 ASN CB C 18 39.290 39.290 43.121 -3.831 18766 618 1 7 . 1 1 18 18 ASN H H 18 8.317 8.317 8.780 -0.463 18766 619 1 7 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.960 -0.141 18766 620 1 7 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.586 13.662 18766 621 1 7 . 1 1 19 19 CYS H H 19 8.872 8.872 8.617 0.255 18766 622 1 7 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.064 0.630 18766 623 1 7 . 1 1 20 20 VAL CB C 20 34.426 34.426 34.883 -0.457 18766 624 1 7 . 1 1 20 20 VAL H H 20 9.428 9.428 8.449 0.979 18766 625 1 7 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.773 -0.436 18766 626 1 7 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.096 -0.248 18766 627 1 7 . 1 1 21 21 TYR CB C 21 38.105 38.105 37.958 0.147 18766 628 1 7 . 1 1 21 21 TYR H H 21 8.524 8.524 7.622 0.902 18766 629 1 7 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.460 -0.227 18766 630 1 7 . 1 1 22 22 ASP CA C 22 52.191 52.191 54.010 -1.819 18766 631 1 7 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.224 -2.179 18766 632 1 7 . 1 1 22 22 ASP H H 22 7.968 7.968 8.288 -0.320 18766 633 1 7 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.095 -0.307 18766 634 1 7 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.328 -0.907 18766 635 1 7 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.822 -0.739 18766 636 1 7 . 1 1 23 23 ALA H H 23 7.706 7.706 8.331 -0.625 18766 637 1 7 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.484 -0.043 18766 638 1 7 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.400 -1.109 18766 639 1 7 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.453 -1.474 18766 640 1 7 . 1 1 24 24 TYR H H 24 7.843 7.843 8.107 -0.264 18766 641 1 7 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.672 -0.104 18766 642 1 7 . 1 1 25 25 GLY H H 25 7.747 7.747 7.490 0.257 18766 643 1 7 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.779 -0.091 18766 644 1 7 . 1 1 26 26 CYS CB C 26 40.284 40.284 25.938 14.346 18766 645 1 7 . 1 1 26 26 CYS H H 26 8.091 8.091 8.371 -0.280 18766 646 1 7 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.303 -0.549 18766 647 1 7 . 1 1 27 27 GLY H H 27 8.546 8.546 8.337 0.209 18766 648 1 7 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.434 -0.021 18766 649 1 7 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.875 7.253 18766 650 1 7 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.007 -0.401 18766 651 1 7 . 1 1 28 28 ALA H H 28 8.016 8.016 7.999 0.017 18766 652 1 8 . 1 1 2 2 SER HA H 2 4.613 4.613 4.673 -0.060 18766 653 1 8 . 1 1 2 2 SER CA C 2 57.815 57.815 57.886 -0.071 18766 654 1 8 . 1 1 2 2 SER CB C 2 63.213 63.213 63.855 -0.642 18766 655 1 8 . 1 1 2 2 SER H H 2 8.641 8.641 7.916 0.725 18766 656 1 8 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.212 0.033 18766 657 1 8 . 1 1 3 3 ILE CA C 3 60.112 60.112 61.051 -0.939 18766 658 1 8 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.930 -0.544 18766 659 1 8 . 1 1 3 3 ILE H H 3 8.297 8.297 8.358 -0.061 18766 660 1 8 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.699 0.207 18766 661 1 8 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.605 -0.814 18766 662 1 8 . 1 1 4 4 ASP CB C 4 39.326 39.326 41.018 -1.692 18766 663 1 8 . 1 1 4 4 ASP H H 4 8.392 8.392 8.413 -0.021 18766 664 1 8 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.638 0.057 18766 665 1 8 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.276 -1.169 18766 666 1 8 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.487 -0.007 18766 667 1 8 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.657 -0.321 18766 668 1 8 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.586 -0.929 18766 669 1 8 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.512 0.193 18766 670 1 8 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.577 11.510 18766 671 1 8 . 1 1 7 7 CYS H H 7 8.431 8.431 8.642 -0.211 18766 672 1 8 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.085 0.147 18766 673 1 8 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.267 -0.885 18766 674 1 8 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.414 0.232 18766 675 1 8 . 1 1 8 8 ARG H H 8 8.371 8.371 8.455 -0.084 18766 676 1 8 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.332 0.079 18766 677 1 8 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.218 -7.468 18766 678 1 8 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.627 0.041 18766 679 1 8 . 1 1 9 9 PHE H H 9 8.304 8.304 8.410 -0.106 18766 680 1 8 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.020 -0.264 18766 681 1 8 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.827 -0.768 18766 682 1 8 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.625 16.740 18766 683 1 8 . 1 1 10 10 CYS H H 10 8.564 8.564 8.781 -0.217 18766 684 1 8 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.130 -0.030 18766 685 1 8 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.725 0.134 18766 686 1 8 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.400 -1.769 18766 687 1 8 . 1 1 11 11 TYR H H 11 8.239 8.239 8.147 0.092 18766 688 1 8 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.808 0.225 18766 689 1 8 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.718 -1.104 18766 690 1 8 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.167 -1.455 18766 691 1 8 . 1 1 12 12 HIS H H 12 9.283 9.283 8.295 0.988 18766 692 1 8 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.296 0.490 18766 693 1 8 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.155 -1.874 18766 694 1 8 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.578 -0.476 18766 695 1 8 . 1 1 13 13 ARG H H 13 8.941 8.941 8.799 0.142 18766 696 1 8 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.844 0.017 18766 697 1 8 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.243 -1.830 18766 698 1 8 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.996 -1.173 18766 699 1 8 . 1 1 14 14 ASP H H 14 8.831 8.831 8.782 0.049 18766 700 1 8 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.204 -0.183 18766 701 1 8 . 1 1 15 15 GLY H H 15 8.668 8.668 8.439 0.229 18766 702 1 8 . 1 1 16 16 SER HA H 16 4.614 4.614 4.385 0.229 18766 703 1 8 . 1 1 16 16 SER CA C 16 57.346 57.346 58.875 -1.529 18766 704 1 8 . 1 1 16 16 SER CB C 16 63.633 63.633 64.117 -0.484 18766 705 1 8 . 1 1 16 16 SER H H 16 8.231 8.231 8.385 -0.154 18766 706 1 8 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.874 -0.308 18766 707 1 8 . 1 1 17 17 GLY H H 17 8.096 8.096 7.674 0.422 18766 708 1 8 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.083 -0.230 18766 709 1 8 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.202 -0.456 18766 710 1 8 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.931 -3.641 18766 711 1 8 . 1 1 18 18 ASN H H 18 8.317 8.317 8.790 -0.473 18766 712 1 8 . 1 1 19 19 CYS HA H 19 4.819 4.819 5.036 -0.217 18766 713 1 8 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.526 13.722 18766 714 1 8 . 1 1 19 19 CYS H H 19 8.872 8.872 8.572 0.300 18766 715 1 8 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.068 0.626 18766 716 1 8 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.340 -0.914 18766 717 1 8 . 1 1 20 20 VAL H H 20 9.428 9.428 8.322 1.106 18766 718 1 8 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.809 -0.472 18766 719 1 8 . 1 1 21 21 TYR CA C 21 57.848 57.848 57.951 -0.103 18766 720 1 8 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.166 -0.061 18766 721 1 8 . 1 1 21 21 TYR H H 21 8.524 8.524 7.644 0.880 18766 722 1 8 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.477 -0.244 18766 723 1 8 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.835 -1.644 18766 724 1 8 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.170 -2.125 18766 725 1 8 . 1 1 22 22 ASP H H 22 7.968 7.968 8.288 -0.320 18766 726 1 8 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.072 -0.284 18766 727 1 8 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.249 -0.828 18766 728 1 8 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.720 -0.637 18766 729 1 8 . 1 1 23 23 ALA H H 23 7.706 7.706 8.298 -0.592 18766 730 1 8 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.463 -0.022 18766 731 1 8 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.609 -1.318 18766 732 1 8 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.563 -1.584 18766 733 1 8 . 1 1 24 24 TYR H H 24 7.843 7.843 8.046 -0.203 18766 734 1 8 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.760 -0.192 18766 735 1 8 . 1 1 25 25 GLY H H 25 7.747 7.747 7.479 0.268 18766 736 1 8 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.705 -0.017 18766 737 1 8 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.420 13.864 18766 738 1 8 . 1 1 26 26 CYS H H 26 8.091 8.091 8.478 -0.387 18766 739 1 8 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.388 -0.634 18766 740 1 8 . 1 1 27 27 GLY H H 27 8.546 8.546 8.366 0.180 18766 741 1 8 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.442 -0.029 18766 742 1 8 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.325 6.803 18766 743 1 8 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.190 -0.584 18766 744 1 8 . 1 1 28 28 ALA H H 28 8.016 8.016 8.265 -0.249 18766 745 1 9 . 1 1 2 2 SER HA H 2 4.613 4.613 4.776 -0.163 18766 746 1 9 . 1 1 2 2 SER CA C 2 57.815 57.815 57.915 -0.100 18766 747 1 9 . 1 1 2 2 SER CB C 2 63.213 63.213 64.481 -1.268 18766 748 1 9 . 1 1 2 2 SER H H 2 8.641 8.641 7.943 0.698 18766 749 1 9 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.341 -0.096 18766 750 1 9 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.856 -0.744 18766 751 1 9 . 1 1 3 3 ILE CB C 3 38.386 38.386 39.076 -0.690 18766 752 1 9 . 1 1 3 3 ILE H H 3 8.297 8.297 8.364 -0.067 18766 753 1 9 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.715 0.191 18766 754 1 9 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.789 -0.998 18766 755 1 9 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.741 -1.415 18766 756 1 9 . 1 1 4 4 ASP H H 4 8.392 8.392 8.374 0.018 18766 757 1 9 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.568 0.127 18766 758 1 9 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.343 -1.235 18766 759 1 9 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.495 -0.015 18766 760 1 9 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.622 -0.286 18766 761 1 9 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.625 -0.968 18766 762 1 9 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.501 0.204 18766 763 1 9 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.593 11.495 18766 764 1 9 . 1 1 7 7 CYS H H 7 8.431 8.431 8.630 -0.199 18766 765 1 9 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.089 0.143 18766 766 1 9 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.325 -0.943 18766 767 1 9 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.409 0.237 18766 768 1 9 . 1 1 8 8 ARG H H 8 8.371 8.371 8.462 -0.091 18766 769 1 9 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.322 0.089 18766 770 1 9 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.546 -7.796 18766 771 1 9 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.693 -0.025 18766 772 1 9 . 1 1 9 9 PHE H H 9 8.304 8.304 8.415 -0.111 18766 773 1 9 . 1 1 10 10 CYS HA H 10 3.756 3.756 3.982 -0.226 18766 774 1 9 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.798 -0.739 18766 775 1 9 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.627 16.738 18766 776 1 9 . 1 1 10 10 CYS H H 10 8.564 8.564 8.682 -0.118 18766 777 1 9 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.124 -0.024 18766 778 1 9 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.720 0.139 18766 779 1 9 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.391 -1.760 18766 780 1 9 . 1 1 11 11 TYR H H 11 8.239 8.239 8.126 0.113 18766 781 1 9 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.796 0.237 18766 782 1 9 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.709 -1.095 18766 783 1 9 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.133 -1.421 18766 784 1 9 . 1 1 12 12 HIS H H 12 9.283 9.283 8.284 0.999 18766 785 1 9 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.276 0.510 18766 786 1 9 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.157 -1.876 18766 787 1 9 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.565 -0.463 18766 788 1 9 . 1 1 13 13 ARG H H 13 8.941 8.941 8.787 0.154 18766 789 1 9 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.821 0.040 18766 790 1 9 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.231 -1.818 18766 791 1 9 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.996 -1.173 18766 792 1 9 . 1 1 14 14 ASP H H 14 8.831 8.831 8.762 0.069 18766 793 1 9 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.417 -0.396 18766 794 1 9 . 1 1 15 15 GLY H H 15 8.668 8.668 8.614 0.054 18766 795 1 9 . 1 1 16 16 SER HA H 16 4.614 4.614 4.409 0.205 18766 796 1 9 . 1 1 16 16 SER CA C 16 57.346 57.346 58.836 -1.490 18766 797 1 9 . 1 1 16 16 SER CB C 16 63.633 63.633 63.792 -0.159 18766 798 1 9 . 1 1 16 16 SER H H 16 8.231 8.231 8.533 -0.301 18766 799 1 9 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.964 -0.398 18766 800 1 9 . 1 1 17 17 GLY H H 17 8.096 8.096 7.663 0.433 18766 801 1 9 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.084 -0.231 18766 802 1 9 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.125 -0.379 18766 803 1 9 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.801 -3.511 18766 804 1 9 . 1 1 18 18 ASN H H 18 8.317 8.317 8.760 -0.443 18766 805 1 9 . 1 1 19 19 CYS HA H 19 4.819 4.819 5.016 -0.197 18766 806 1 9 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.829 13.419 18766 807 1 9 . 1 1 19 19 CYS H H 19 8.872 8.872 8.592 0.280 18766 808 1 9 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.036 0.658 18766 809 1 9 . 1 1 20 20 VAL CB C 20 34.426 34.426 34.883 -0.457 18766 810 1 9 . 1 1 20 20 VAL H H 20 9.428 9.428 8.383 1.045 18766 811 1 9 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.800 -0.463 18766 812 1 9 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.096 -0.248 18766 813 1 9 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.004 0.101 18766 814 1 9 . 1 1 21 21 TYR H H 21 8.524 8.524 7.636 0.888 18766 815 1 9 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.455 -0.222 18766 816 1 9 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.683 -1.492 18766 817 1 9 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.157 -2.112 18766 818 1 9 . 1 1 22 22 ASP H H 22 7.968 7.968 8.285 -0.317 18766 819 1 9 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.191 -0.403 18766 820 1 9 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.207 -0.786 18766 821 1 9 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.759 -0.676 18766 822 1 9 . 1 1 23 23 ALA H H 23 7.706 7.706 8.069 -0.363 18766 823 1 9 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.383 0.057 18766 824 1 9 . 1 1 24 24 TYR CA C 24 57.291 57.291 57.405 -0.114 18766 825 1 9 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.493 -1.514 18766 826 1 9 . 1 1 24 24 TYR H H 24 7.843 7.843 7.818 0.025 18766 827 1 9 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.821 -0.253 18766 828 1 9 . 1 1 25 25 GLY H H 25 7.747 7.747 7.486 0.261 18766 829 1 9 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.720 -0.032 18766 830 1 9 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.456 13.828 18766 831 1 9 . 1 1 26 26 CYS H H 26 8.091 8.091 8.446 -0.355 18766 832 1 9 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.625 -0.871 18766 833 1 9 . 1 1 27 27 GLY H H 27 8.546 8.546 8.382 0.164 18766 834 1 9 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.441 -0.028 18766 835 1 9 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.123 7.005 18766 836 1 9 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.327 -0.721 18766 837 1 9 . 1 1 28 28 ALA H H 28 8.016 8.016 8.162 -0.146 18766 838 1 10 . 1 1 2 2 SER HA H 2 4.613 4.613 4.958 -0.345 18766 839 1 10 . 1 1 2 2 SER CA C 2 57.815 57.815 57.908 -0.093 18766 840 1 10 . 1 1 2 2 SER CB C 2 63.213 63.213 64.673 -1.460 18766 841 1 10 . 1 1 2 2 SER H H 2 8.641 8.641 8.189 0.452 18766 842 1 10 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.380 -0.135 18766 843 1 10 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.857 -0.745 18766 844 1 10 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.732 -0.346 18766 845 1 10 . 1 1 3 3 ILE H H 3 8.297 8.297 8.187 0.110 18766 846 1 10 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.689 0.217 18766 847 1 10 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.793 -1.002 18766 848 1 10 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.776 -1.450 18766 849 1 10 . 1 1 4 4 ASP H H 4 8.392 8.392 8.420 -0.028 18766 850 1 10 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.562 0.133 18766 851 1 10 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.348 -1.240 18766 852 1 10 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.497 -0.017 18766 853 1 10 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.604 -0.268 18766 854 1 10 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.620 -0.963 18766 855 1 10 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.492 0.213 18766 856 1 10 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.537 11.550 18766 857 1 10 . 1 1 7 7 CYS H H 7 8.431 8.431 8.643 -0.212 18766 858 1 10 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.076 0.156 18766 859 1 10 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.334 -0.952 18766 860 1 10 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.440 0.206 18766 861 1 10 . 1 1 8 8 ARG H H 8 8.371 8.371 8.441 -0.070 18766 862 1 10 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.334 0.077 18766 863 1 10 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.191 -7.441 18766 864 1 10 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.646 0.022 18766 865 1 10 . 1 1 9 9 PHE H H 9 8.304 8.304 8.397 -0.093 18766 866 1 10 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.024 -0.268 18766 867 1 10 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.827 -0.768 18766 868 1 10 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.629 16.736 18766 869 1 10 . 1 1 10 10 CYS H H 10 8.564 8.564 8.779 -0.215 18766 870 1 10 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.123 -0.023 18766 871 1 10 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.755 0.104 18766 872 1 10 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.409 -1.778 18766 873 1 10 . 1 1 11 11 TYR H H 11 8.239 8.239 8.163 0.076 18766 874 1 10 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.809 0.224 18766 875 1 10 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.715 -1.101 18766 876 1 10 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.156 -1.444 18766 877 1 10 . 1 1 12 12 HIS H H 12 9.283 9.283 8.326 0.957 18766 878 1 10 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.280 0.506 18766 879 1 10 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.151 -1.870 18766 880 1 10 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.552 -0.450 18766 881 1 10 . 1 1 13 13 ARG H H 13 8.941 8.941 8.800 0.141 18766 882 1 10 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.870 -0.009 18766 883 1 10 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.190 -1.776 18766 884 1 10 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.709 -0.886 18766 885 1 10 . 1 1 14 14 ASP H H 14 8.831 8.831 8.844 -0.013 18766 886 1 10 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.169 -0.148 18766 887 1 10 . 1 1 15 15 GLY H H 15 8.668 8.668 8.676 -0.008 18766 888 1 10 . 1 1 16 16 SER HA H 16 4.614 4.614 4.401 0.213 18766 889 1 10 . 1 1 16 16 SER CA C 16 57.346 57.346 58.699 -1.353 18766 890 1 10 . 1 1 16 16 SER CB C 16 63.633 63.633 64.123 -0.490 18766 891 1 10 . 1 1 16 16 SER H H 16 8.231 8.231 8.333 -0.102 18766 892 1 10 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.819 -0.253 18766 893 1 10 . 1 1 17 17 GLY H H 17 8.096 8.096 7.810 0.286 18766 894 1 10 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.045 -0.192 18766 895 1 10 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.259 -0.513 18766 896 1 10 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.671 -3.381 18766 897 1 10 . 1 1 18 18 ASN H H 18 8.317 8.317 8.954 -0.637 18766 898 1 10 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.991 -0.172 18766 899 1 10 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.658 13.590 18766 900 1 10 . 1 1 19 19 CYS H H 19 8.872 8.872 8.619 0.253 18766 901 1 10 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.074 0.620 18766 902 1 10 . 1 1 20 20 VAL CB C 20 34.426 34.426 34.936 -0.510 18766 903 1 10 . 1 1 20 20 VAL H H 20 9.428 9.428 8.482 0.946 18766 904 1 10 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.776 -0.439 18766 905 1 10 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.123 -0.276 18766 906 1 10 . 1 1 21 21 TYR CB C 21 38.105 38.105 37.956 0.149 18766 907 1 10 . 1 1 21 21 TYR H H 21 8.524 8.524 7.623 0.901 18766 908 1 10 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.474 -0.241 18766 909 1 10 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.807 -1.617 18766 910 1 10 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.168 -2.123 18766 911 1 10 . 1 1 22 22 ASP H H 22 7.968 7.968 8.285 -0.317 18766 912 1 10 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.072 -0.284 18766 913 1 10 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.263 -0.842 18766 914 1 10 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.734 -0.651 18766 915 1 10 . 1 1 23 23 ALA H H 23 7.706 7.706 8.299 -0.593 18766 916 1 10 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.466 -0.025 18766 917 1 10 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.621 -1.330 18766 918 1 10 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.542 -1.563 18766 919 1 10 . 1 1 24 24 TYR H H 24 7.843 7.843 8.060 -0.217 18766 920 1 10 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.710 -0.142 18766 921 1 10 . 1 1 25 25 GLY H H 25 7.747 7.747 7.461 0.286 18766 922 1 10 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.582 0.106 18766 923 1 10 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.296 13.988 18766 924 1 10 . 1 1 26 26 CYS H H 26 8.091 8.091 8.168 -0.077 18766 925 1 10 . 1 1 27 27 GLY CA C 27 44.754 44.754 44.940 -0.186 18766 926 1 10 . 1 1 27 27 GLY H H 27 8.546 8.546 7.913 0.633 18766 927 1 10 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.552 -0.139 18766 928 1 10 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.017 7.112 18766 929 1 10 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.464 -0.858 18766 930 1 10 . 1 1 28 28 ALA H H 28 8.016 8.016 8.229 -0.213 18766 931 1 11 . 1 1 2 2 SER HA H 2 4.613 4.613 4.590 0.023 18766 932 1 11 . 1 1 2 2 SER CA C 2 57.815 57.815 57.825 -0.010 18766 933 1 11 . 1 1 2 2 SER CB C 2 63.213 63.213 63.018 0.195 18766 934 1 11 . 1 1 2 2 SER H H 2 8.641 8.641 8.211 0.430 18766 935 1 11 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.224 0.021 18766 936 1 11 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.270 -0.158 18766 937 1 11 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.464 -0.077 18766 938 1 11 . 1 1 3 3 ILE H H 3 8.297 8.297 7.370 0.927 18766 939 1 11 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.793 0.113 18766 940 1 11 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.577 -0.786 18766 941 1 11 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.920 -1.594 18766 942 1 11 . 1 1 4 4 ASP H H 4 8.392 8.392 8.381 0.011 18766 943 1 11 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.654 0.041 18766 944 1 11 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.292 -1.184 18766 945 1 11 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.484 -0.004 18766 946 1 11 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.661 -0.325 18766 947 1 11 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.593 -0.936 18766 948 1 11 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.514 0.191 18766 949 1 11 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.563 11.524 18766 950 1 11 . 1 1 7 7 CYS H H 7 8.431 8.431 8.650 -0.219 18766 951 1 11 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.081 0.151 18766 952 1 11 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.280 -0.898 18766 953 1 11 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.433 0.213 18766 954 1 11 . 1 1 8 8 ARG H H 8 8.371 8.371 8.445 -0.074 18766 955 1 11 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.336 0.075 18766 956 1 11 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.111 -7.361 18766 957 1 11 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.619 0.049 18766 958 1 11 . 1 1 9 9 PHE H H 9 8.304 8.304 8.404 -0.100 18766 959 1 11 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.034 -0.278 18766 960 1 11 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.839 -0.780 18766 961 1 11 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.637 16.728 18766 962 1 11 . 1 1 10 10 CYS H H 10 8.564 8.564 8.806 -0.242 18766 963 1 11 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.132 -0.032 18766 964 1 11 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.741 0.118 18766 965 1 11 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.409 -1.778 18766 966 1 11 . 1 1 11 11 TYR H H 11 8.239 8.239 8.164 0.075 18766 967 1 11 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.808 0.225 18766 968 1 11 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.733 -1.119 18766 969 1 11 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.136 -1.424 18766 970 1 11 . 1 1 12 12 HIS H H 12 9.283 9.283 8.328 0.955 18766 971 1 11 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.277 0.509 18766 972 1 11 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.227 -1.946 18766 973 1 11 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.576 -0.475 18766 974 1 11 . 1 1 13 13 ARG H H 13 8.941 8.941 8.801 0.140 18766 975 1 11 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.852 0.009 18766 976 1 11 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.304 -1.891 18766 977 1 11 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.940 -1.117 18766 978 1 11 . 1 1 14 14 ASP H H 14 8.831 8.831 8.782 0.049 18766 979 1 11 . 1 1 15 15 GLY CA C 15 46.021 46.021 45.966 0.055 18766 980 1 11 . 1 1 15 15 GLY H H 15 8.668 8.668 8.557 0.111 18766 981 1 11 . 1 1 16 16 SER HA H 16 4.614 4.614 4.397 0.217 18766 982 1 11 . 1 1 16 16 SER CA C 16 57.346 57.346 58.642 -1.296 18766 983 1 11 . 1 1 16 16 SER CB C 16 63.633 63.633 64.084 -0.451 18766 984 1 11 . 1 1 16 16 SER H H 16 8.231 8.231 8.521 -0.290 18766 985 1 11 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.867 -0.301 18766 986 1 11 . 1 1 17 17 GLY H H 17 8.096 8.096 7.684 0.412 18766 987 1 11 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.086 -0.233 18766 988 1 11 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.122 -0.376 18766 989 1 11 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.763 -3.473 18766 990 1 11 . 1 1 18 18 ASN H H 18 8.317 8.317 8.768 -0.451 18766 991 1 11 . 1 1 19 19 CYS HA H 19 4.819 4.819 5.011 -0.192 18766 992 1 11 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.547 13.701 18766 993 1 11 . 1 1 19 19 CYS H H 19 8.872 8.872 8.639 0.233 18766 994 1 11 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.148 0.546 18766 995 1 11 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.251 -0.825 18766 996 1 11 . 1 1 20 20 VAL H H 20 9.428 9.428 8.444 0.984 18766 997 1 11 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.772 -0.435 18766 998 1 11 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.009 -0.161 18766 999 1 11 . 1 1 21 21 TYR CB C 21 38.105 38.105 37.999 0.106 18766 1000 1 11 . 1 1 21 21 TYR H H 21 8.524 8.524 7.637 0.887 18766 1001 1 11 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.475 -0.242 18766 1002 1 11 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.884 -1.693 18766 1003 1 11 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.177 -2.132 18766 1004 1 11 . 1 1 22 22 ASP H H 22 7.968 7.968 8.286 -0.318 18766 1005 1 11 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.119 -0.331 18766 1006 1 11 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.067 -0.646 18766 1007 1 11 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.699 -0.616 18766 1008 1 11 . 1 1 23 23 ALA H H 23 7.706 7.706 8.074 -0.368 18766 1009 1 11 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.353 0.088 18766 1010 1 11 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.394 -1.103 18766 1011 1 11 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.763 -1.784 18766 1012 1 11 . 1 1 24 24 TYR H H 24 7.843 7.843 7.747 0.096 18766 1013 1 11 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.758 -0.190 18766 1014 1 11 . 1 1 25 25 GLY H H 25 7.747 7.747 7.472 0.275 18766 1015 1 11 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.704 -0.016 18766 1016 1 11 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.433 13.851 18766 1017 1 11 . 1 1 26 26 CYS H H 26 8.091 8.091 8.492 -0.401 18766 1018 1 11 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.341 -0.587 18766 1019 1 11 . 1 1 27 27 GLY H H 27 8.546 8.546 8.325 0.221 18766 1020 1 11 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.436 -0.023 18766 1021 1 11 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.319 6.809 18766 1022 1 11 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.198 -0.592 18766 1023 1 11 . 1 1 28 28 ALA H H 28 8.016 8.016 8.365 -0.349 18766 1024 1 12 . 1 1 2 2 SER HA H 2 4.613 4.613 4.851 -0.238 18766 1025 1 12 . 1 1 2 2 SER CA C 2 57.815 57.815 57.800 0.015 18766 1026 1 12 . 1 1 2 2 SER CB C 2 63.213 63.213 65.079 -1.866 18766 1027 1 12 . 1 1 2 2 SER H H 2 8.641 8.641 8.288 0.353 18766 1028 1 12 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.361 -0.116 18766 1029 1 12 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.638 -0.526 18766 1030 1 12 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.237 0.149 18766 1031 1 12 . 1 1 3 3 ILE H H 3 8.297 8.297 8.310 -0.013 18766 1032 1 12 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.755 0.151 18766 1033 1 12 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.705 -0.914 18766 1034 1 12 . 1 1 4 4 ASP CB C 4 39.326 39.326 41.058 -1.732 18766 1035 1 12 . 1 1 4 4 ASP H H 4 8.392 8.392 8.398 -0.006 18766 1036 1 12 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.634 0.061 18766 1037 1 12 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.076 -0.968 18766 1038 1 12 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.468 0.012 18766 1039 1 12 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.740 -0.404 18766 1040 1 12 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.484 -0.827 18766 1041 1 12 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.506 0.199 18766 1042 1 12 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.572 11.515 18766 1043 1 12 . 1 1 7 7 CYS H H 7 8.431 8.431 8.641 -0.210 18766 1044 1 12 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.086 0.146 18766 1045 1 12 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.296 -0.914 18766 1046 1 12 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.422 0.223 18766 1047 1 12 . 1 1 8 8 ARG H H 8 8.371 8.371 8.467 -0.096 18766 1048 1 12 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.322 0.089 18766 1049 1 12 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.445 -7.695 18766 1050 1 12 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.643 0.025 18766 1051 1 12 . 1 1 9 9 PHE H H 9 8.304 8.304 8.424 -0.120 18766 1052 1 12 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.004 -0.248 18766 1053 1 12 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.794 -0.735 18766 1054 1 12 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.599 16.766 18766 1055 1 12 . 1 1 10 10 CYS H H 10 8.564 8.564 8.708 -0.144 18766 1056 1 12 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.109 -0.009 18766 1057 1 12 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.728 0.131 18766 1058 1 12 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.436 -1.805 18766 1059 1 12 . 1 1 11 11 TYR H H 11 8.239 8.239 8.190 0.049 18766 1060 1 12 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.819 0.214 18766 1061 1 12 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.789 -1.175 18766 1062 1 12 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.028 -1.316 18766 1063 1 12 . 1 1 12 12 HIS H H 12 9.283 9.283 8.290 0.993 18766 1064 1 12 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.270 0.516 18766 1065 1 12 . 1 1 13 13 ARG CA C 13 55.281 55.281 56.983 -1.702 18766 1066 1 12 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.515 -0.413 18766 1067 1 12 . 1 1 13 13 ARG H H 13 8.941 8.941 8.788 0.153 18766 1068 1 12 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.819 0.042 18766 1069 1 12 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.191 -1.778 18766 1070 1 12 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.673 -0.850 18766 1071 1 12 . 1 1 14 14 ASP H H 14 8.831 8.831 8.219 0.612 18766 1072 1 12 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.569 -0.548 18766 1073 1 12 . 1 1 15 15 GLY H H 15 8.668 8.668 8.795 -0.127 18766 1074 1 12 . 1 1 16 16 SER HA H 16 4.614 4.614 4.466 0.148 18766 1075 1 12 . 1 1 16 16 SER CA C 16 57.346 57.346 58.480 -1.134 18766 1076 1 12 . 1 1 16 16 SER CB C 16 63.633 63.633 64.230 -0.597 18766 1077 1 12 . 1 1 16 16 SER H H 16 8.231 8.231 8.222 0.009 18766 1078 1 12 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.836 -0.270 18766 1079 1 12 . 1 1 17 17 GLY H H 17 8.096 8.096 7.950 0.146 18766 1080 1 12 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.076 -0.223 18766 1081 1 12 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.280 -0.534 18766 1082 1 12 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.785 -3.495 18766 1083 1 12 . 1 1 18 18 ASN H H 18 8.317 8.317 8.701 -0.384 18766 1084 1 12 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.601 0.218 18766 1085 1 12 . 1 1 19 19 CYS CB C 19 40.248 40.248 25.863 14.385 18766 1086 1 12 . 1 1 19 19 CYS H H 19 8.872 8.872 9.055 -0.183 18766 1087 1 12 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.131 0.563 18766 1088 1 12 . 1 1 20 20 VAL CB C 20 34.426 34.426 34.978 -0.552 18766 1089 1 12 . 1 1 20 20 VAL H H 20 9.428 9.428 8.529 0.899 18766 1090 1 12 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.727 -0.390 18766 1091 1 12 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.057 -0.209 18766 1092 1 12 . 1 1 21 21 TYR CB C 21 38.105 38.105 37.879 0.226 18766 1093 1 12 . 1 1 21 21 TYR H H 21 8.524 8.524 7.663 0.861 18766 1094 1 12 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.455 -0.222 18766 1095 1 12 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.886 -1.695 18766 1096 1 12 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.214 -2.169 18766 1097 1 12 . 1 1 22 22 ASP H H 22 7.968 7.968 8.279 -0.311 18766 1098 1 12 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.056 -0.268 18766 1099 1 12 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.246 -0.825 18766 1100 1 12 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.766 -0.683 18766 1101 1 12 . 1 1 23 23 ALA H H 23 7.706 7.706 8.287 -0.581 18766 1102 1 12 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.471 -0.030 18766 1103 1 12 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.595 -1.304 18766 1104 1 12 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.522 -1.543 18766 1105 1 12 . 1 1 24 24 TYR H H 24 7.843 7.843 8.078 -0.235 18766 1106 1 12 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.769 -0.201 18766 1107 1 12 . 1 1 25 25 GLY H H 25 7.747 7.747 7.425 0.322 18766 1108 1 12 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.713 -0.025 18766 1109 1 12 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.530 13.754 18766 1110 1 12 . 1 1 26 26 CYS H H 26 8.091 8.091 8.496 -0.405 18766 1111 1 12 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.374 -0.620 18766 1112 1 12 . 1 1 27 27 GLY H H 27 8.546 8.546 8.168 0.378 18766 1113 1 12 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.424 -0.011 18766 1114 1 12 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.088 7.040 18766 1115 1 12 . 1 1 28 28 ALA CB C 28 18.606 18.606 18.675 -0.069 18766 1116 1 12 . 1 1 28 28 ALA H H 28 8.016 8.016 8.299 -0.283 18766 1117 1 13 . 1 1 2 2 SER HA H 2 4.613 4.613 4.899 -0.286 18766 1118 1 13 . 1 1 2 2 SER CA C 2 57.815 57.815 57.814 0.001 18766 1119 1 13 . 1 1 2 2 SER CB C 2 63.213 63.213 64.783 -1.570 18766 1120 1 13 . 1 1 2 2 SER H H 2 8.641 8.641 8.372 0.269 18766 1121 1 13 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.353 -0.108 18766 1122 1 13 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.983 -0.871 18766 1123 1 13 . 1 1 3 3 ILE CB C 3 38.386 38.386 39.773 -1.387 18766 1124 1 13 . 1 1 3 3 ILE H H 3 8.297 8.297 8.294 0.003 18766 1125 1 13 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.763 0.143 18766 1126 1 13 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.725 -0.934 18766 1127 1 13 . 1 1 4 4 ASP CB C 4 39.326 39.326 41.028 -1.702 18766 1128 1 13 . 1 1 4 4 ASP H H 4 8.392 8.392 8.432 -0.040 18766 1129 1 13 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.639 0.056 18766 1130 1 13 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.352 -1.244 18766 1131 1 13 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.479 0.001 18766 1132 1 13 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.644 -0.308 18766 1133 1 13 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.592 -0.935 18766 1134 1 13 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.501 0.204 18766 1135 1 13 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.550 11.537 18766 1136 1 13 . 1 1 7 7 CYS H H 7 8.431 8.431 8.645 -0.214 18766 1137 1 13 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.073 0.159 18766 1138 1 13 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.325 -0.943 18766 1139 1 13 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.447 0.199 18766 1140 1 13 . 1 1 8 8 ARG H H 8 8.371 8.371 8.444 -0.073 18766 1141 1 13 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.323 0.088 18766 1142 1 13 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.487 -7.737 18766 1143 1 13 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.705 -0.037 18766 1144 1 13 . 1 1 9 9 PHE H H 9 8.304 8.304 8.396 -0.092 18766 1145 1 13 . 1 1 10 10 CYS HA H 10 3.756 3.756 3.993 -0.237 18766 1146 1 13 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.808 -0.749 18766 1147 1 13 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.601 16.764 18766 1148 1 13 . 1 1 10 10 CYS H H 10 8.564 8.564 8.682 -0.118 18766 1149 1 13 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.107 -0.007 18766 1150 1 13 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.728 0.131 18766 1151 1 13 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.443 -1.812 18766 1152 1 13 . 1 1 11 11 TYR H H 11 8.239 8.239 8.186 0.053 18766 1153 1 13 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.813 0.220 18766 1154 1 13 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.779 -1.165 18766 1155 1 13 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.020 -1.308 18766 1156 1 13 . 1 1 12 12 HIS H H 12 9.283 9.283 8.281 1.002 18766 1157 1 13 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.263 0.523 18766 1158 1 13 . 1 1 13 13 ARG CA C 13 55.281 55.281 56.982 -1.701 18766 1159 1 13 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.512 -0.410 18766 1160 1 13 . 1 1 13 13 ARG H H 13 8.941 8.941 8.781 0.160 18766 1161 1 13 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.801 0.060 18766 1162 1 13 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.172 -1.759 18766 1163 1 13 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.652 -0.829 18766 1164 1 13 . 1 1 14 14 ASP H H 14 8.831 8.831 8.216 0.615 18766 1165 1 13 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.434 -0.414 18766 1166 1 13 . 1 1 15 15 GLY H H 15 8.668 8.668 8.772 -0.104 18766 1167 1 13 . 1 1 16 16 SER HA H 16 4.614 4.614 4.449 0.165 18766 1168 1 13 . 1 1 16 16 SER CA C 16 57.346 57.346 58.337 -0.991 18766 1169 1 13 . 1 1 16 16 SER CB C 16 63.633 63.633 64.163 -0.530 18766 1170 1 13 . 1 1 16 16 SER H H 16 8.231 8.231 8.214 0.017 18766 1171 1 13 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.742 -0.176 18766 1172 1 13 . 1 1 17 17 GLY H H 17 8.096 8.096 7.922 0.174 18766 1173 1 13 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.060 -0.207 18766 1174 1 13 . 1 1 18 18 ASN CA C 18 51.746 51.746 51.968 -0.223 18766 1175 1 13 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.356 -3.066 18766 1176 1 13 . 1 1 18 18 ASN H H 18 8.317 8.317 8.730 -0.413 18766 1177 1 13 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.615 0.204 18766 1178 1 13 . 1 1 19 19 CYS CB C 19 40.248 40.248 25.752 14.496 18766 1179 1 13 . 1 1 19 19 CYS H H 19 8.872 8.872 8.864 0.008 18766 1180 1 13 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.129 0.565 18766 1181 1 13 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.235 -0.809 18766 1182 1 13 . 1 1 20 20 VAL H H 20 9.428 9.428 8.514 0.914 18766 1183 1 13 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.741 -0.404 18766 1184 1 13 . 1 1 21 21 TYR CA C 21 57.848 57.848 57.922 -0.074 18766 1185 1 13 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.089 0.016 18766 1186 1 13 . 1 1 21 21 TYR H H 21 8.524 8.524 7.668 0.856 18766 1187 1 13 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.433 -0.200 18766 1188 1 13 . 1 1 22 22 ASP CA C 22 52.191 52.191 54.046 -1.855 18766 1189 1 13 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.260 -2.215 18766 1190 1 13 . 1 1 22 22 ASP H H 22 7.968 7.968 8.276 -0.308 18766 1191 1 13 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.093 -0.305 18766 1192 1 13 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.333 -0.912 18766 1193 1 13 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.871 -0.788 18766 1194 1 13 . 1 1 23 23 ALA H H 23 7.706 7.706 8.312 -0.606 18766 1195 1 13 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.500 -0.059 18766 1196 1 13 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.051 -0.760 18766 1197 1 13 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.383 -1.403 18766 1198 1 13 . 1 1 24 24 TYR H H 24 7.843 7.843 8.120 -0.277 18766 1199 1 13 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.690 -0.122 18766 1200 1 13 . 1 1 25 25 GLY H H 25 7.747 7.747 7.451 0.296 18766 1201 1 13 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.768 -0.080 18766 1202 1 13 . 1 1 26 26 CYS CB C 26 40.284 40.284 25.985 14.299 18766 1203 1 13 . 1 1 26 26 CYS H H 26 8.091 8.091 8.375 -0.284 18766 1204 1 13 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.440 -0.686 18766 1205 1 13 . 1 1 27 27 GLY H H 27 8.546 8.546 8.350 0.196 18766 1206 1 13 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.464 -0.051 18766 1207 1 13 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.159 6.969 18766 1208 1 13 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.154 -0.548 18766 1209 1 13 . 1 1 28 28 ALA H H 28 8.016 8.016 8.145 -0.129 18766 1210 1 14 . 1 1 2 2 SER HA H 2 4.613 4.613 4.837 -0.224 18766 1211 1 14 . 1 1 2 2 SER CA C 2 57.815 57.815 57.577 0.238 18766 1212 1 14 . 1 1 2 2 SER CB C 2 63.213 63.213 63.987 -0.774 18766 1213 1 14 . 1 1 2 2 SER H H 2 8.641 8.641 8.280 0.361 18766 1214 1 14 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.272 -0.027 18766 1215 1 14 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.439 -0.327 18766 1216 1 14 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.241 0.145 18766 1217 1 14 . 1 1 3 3 ILE H H 3 8.297 8.297 8.310 -0.013 18766 1218 1 14 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.741 0.165 18766 1219 1 14 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.550 -0.759 18766 1220 1 14 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.845 -1.519 18766 1221 1 14 . 1 1 4 4 ASP H H 4 8.392 8.392 8.356 0.036 18766 1222 1 14 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.665 0.030 18766 1223 1 14 . 1 1 5 5 PRO CB C 5 30.108 30.108 30.845 -0.737 18766 1224 1 14 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.471 0.009 18766 1225 1 14 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.669 -0.333 18766 1226 1 14 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.490 -0.833 18766 1227 1 14 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.529 0.176 18766 1228 1 14 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.645 11.443 18766 1229 1 14 . 1 1 7 7 CYS H H 7 8.431 8.431 8.651 -0.220 18766 1230 1 14 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.082 0.150 18766 1231 1 14 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.237 -0.855 18766 1232 1 14 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.427 0.219 18766 1233 1 14 . 1 1 8 8 ARG H H 8 8.371 8.371 8.457 -0.086 18766 1234 1 14 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.327 0.084 18766 1235 1 14 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.215 -7.465 18766 1236 1 14 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.615 0.052 18766 1237 1 14 . 1 1 9 9 PHE H H 9 8.304 8.304 8.416 -0.112 18766 1238 1 14 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.029 -0.273 18766 1239 1 14 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.837 -0.778 18766 1240 1 14 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.603 16.762 18766 1241 1 14 . 1 1 10 10 CYS H H 10 8.564 8.564 8.773 -0.209 18766 1242 1 14 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.108 -0.008 18766 1243 1 14 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.717 0.142 18766 1244 1 14 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.439 -1.808 18766 1245 1 14 . 1 1 11 11 TYR H H 11 8.239 8.239 8.197 0.042 18766 1246 1 14 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.815 0.218 18766 1247 1 14 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.788 -1.174 18766 1248 1 14 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.020 -1.308 18766 1249 1 14 . 1 1 12 12 HIS H H 12 9.283 9.283 8.280 1.003 18766 1250 1 14 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.263 0.523 18766 1251 1 14 . 1 1 13 13 ARG CA C 13 55.281 55.281 56.983 -1.702 18766 1252 1 14 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.515 -0.413 18766 1253 1 14 . 1 1 13 13 ARG H H 13 8.941 8.941 8.782 0.159 18766 1254 1 14 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.801 0.060 18766 1255 1 14 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.156 -1.742 18766 1256 1 14 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.649 -0.826 18766 1257 1 14 . 1 1 14 14 ASP H H 14 8.831 8.831 8.212 0.619 18766 1258 1 14 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.314 -0.293 18766 1259 1 14 . 1 1 15 15 GLY H H 15 8.668 8.668 8.679 -0.011 18766 1260 1 14 . 1 1 16 16 SER HA H 16 4.614 4.614 4.403 0.211 18766 1261 1 14 . 1 1 16 16 SER CA C 16 57.346 57.346 58.708 -1.362 18766 1262 1 14 . 1 1 16 16 SER CB C 16 63.633 63.633 64.521 -0.888 18766 1263 1 14 . 1 1 16 16 SER H H 16 8.231 8.231 8.232 -0.001 18766 1264 1 14 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.822 -0.256 18766 1265 1 14 . 1 1 17 17 GLY H H 17 8.096 8.096 8.080 0.016 18766 1266 1 14 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.056 -0.203 18766 1267 1 14 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.061 -0.315 18766 1268 1 14 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.412 -3.122 18766 1269 1 14 . 1 1 18 18 ASN H H 18 8.317 8.317 8.751 -0.434 18766 1270 1 14 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.610 0.209 18766 1271 1 14 . 1 1 19 19 CYS CB C 19 40.248 40.248 25.746 14.502 18766 1272 1 14 . 1 1 19 19 CYS H H 19 8.872 8.872 8.866 0.006 18766 1273 1 14 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.130 0.564 18766 1274 1 14 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.230 -0.804 18766 1275 1 14 . 1 1 20 20 VAL H H 20 9.428 9.428 8.518 0.910 18766 1276 1 14 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.731 -0.394 18766 1277 1 14 . 1 1 21 21 TYR CA C 21 57.848 57.848 57.909 -0.061 18766 1278 1 14 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.079 0.026 18766 1279 1 14 . 1 1 21 21 TYR H H 21 8.524 8.524 7.665 0.859 18766 1280 1 14 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.430 -0.197 18766 1281 1 14 . 1 1 22 22 ASP CA C 22 52.191 52.191 54.046 -1.855 18766 1282 1 14 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.256 -2.211 18766 1283 1 14 . 1 1 22 22 ASP H H 22 7.968 7.968 8.271 -0.303 18766 1284 1 14 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.090 -0.302 18766 1285 1 14 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.336 -0.915 18766 1286 1 14 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.872 -0.789 18766 1287 1 14 . 1 1 23 23 ALA H H 23 7.706 7.706 8.309 -0.603 18766 1288 1 14 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.501 -0.060 18766 1289 1 14 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.006 -0.715 18766 1290 1 14 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.374 -1.395 18766 1291 1 14 . 1 1 24 24 TYR H H 24 7.843 7.843 8.120 -0.277 18766 1292 1 14 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.692 -0.124 18766 1293 1 14 . 1 1 25 25 GLY H H 25 7.747 7.747 7.452 0.295 18766 1294 1 14 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.777 -0.089 18766 1295 1 14 . 1 1 26 26 CYS CB C 26 40.284 40.284 25.998 14.286 18766 1296 1 14 . 1 1 26 26 CYS H H 26 8.091 8.091 8.374 -0.283 18766 1297 1 14 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.451 -0.697 18766 1298 1 14 . 1 1 27 27 GLY H H 27 8.546 8.546 8.354 0.192 18766 1299 1 14 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.414 -0.001 18766 1300 1 14 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.631 7.497 18766 1301 1 14 . 1 1 28 28 ALA CB C 28 18.606 18.606 18.758 -0.151 18766 1302 1 14 . 1 1 28 28 ALA H H 28 8.016 8.016 8.175 -0.159 18766 1303 1 15 . 1 1 2 2 SER HA H 2 4.613 4.613 4.792 -0.179 18766 1304 1 15 . 1 1 2 2 SER CA C 2 57.815 57.815 57.740 0.075 18766 1305 1 15 . 1 1 2 2 SER CB C 2 63.213 63.213 63.808 -0.595 18766 1306 1 15 . 1 1 2 2 SER H H 2 8.641 8.641 8.205 0.436 18766 1307 1 15 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.411 -0.166 18766 1308 1 15 . 1 1 3 3 ILE CA C 3 60.112 60.112 59.055 1.057 18766 1309 1 15 . 1 1 3 3 ILE CB C 3 38.386 38.386 39.796 -1.410 18766 1310 1 15 . 1 1 3 3 ILE H H 3 8.297 8.297 7.856 0.441 18766 1311 1 15 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.712 0.194 18766 1312 1 15 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.823 -1.032 18766 1313 1 15 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.637 -1.311 18766 1314 1 15 . 1 1 4 4 ASP H H 4 8.392 8.392 8.311 0.081 18766 1315 1 15 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.573 0.122 18766 1316 1 15 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.317 -1.209 18766 1317 1 15 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.501 -0.021 18766 1318 1 15 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.665 -0.329 18766 1319 1 15 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.579 -0.922 18766 1320 1 15 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.531 0.174 18766 1321 1 15 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.674 11.414 18766 1322 1 15 . 1 1 7 7 CYS H H 7 8.431 8.431 8.648 -0.217 18766 1323 1 15 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.090 0.142 18766 1324 1 15 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.279 -0.897 18766 1325 1 15 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.434 0.212 18766 1326 1 15 . 1 1 8 8 ARG H H 8 8.371 8.371 8.459 -0.088 18766 1327 1 15 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.327 0.084 18766 1328 1 15 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.435 -7.685 18766 1329 1 15 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.673 -0.005 18766 1330 1 15 . 1 1 9 9 PHE H H 9 8.304 8.304 8.411 -0.107 18766 1331 1 15 . 1 1 10 10 CYS HA H 10 3.756 3.756 3.995 -0.239 18766 1332 1 15 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.804 -0.745 18766 1333 1 15 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.625 16.740 18766 1334 1 15 . 1 1 10 10 CYS H H 10 8.564 8.564 8.711 -0.147 18766 1335 1 15 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.123 -0.023 18766 1336 1 15 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.716 0.143 18766 1337 1 15 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.402 -1.771 18766 1338 1 15 . 1 1 11 11 TYR H H 11 8.239 8.239 8.144 0.095 18766 1339 1 15 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.737 0.296 18766 1340 1 15 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.761 -1.147 18766 1341 1 15 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.378 -1.666 18766 1342 1 15 . 1 1 12 12 HIS H H 12 9.283 9.283 8.302 0.981 18766 1343 1 15 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.356 0.430 18766 1344 1 15 . 1 1 13 13 ARG CA C 13 55.281 55.281 56.802 -1.521 18766 1345 1 15 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.003 0.099 18766 1346 1 15 . 1 1 13 13 ARG H H 13 8.941 8.941 8.812 0.129 18766 1347 1 15 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.831 0.030 18766 1348 1 15 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.021 -1.608 18766 1349 1 15 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.892 -1.069 18766 1350 1 15 . 1 1 14 14 ASP H H 14 8.831 8.831 8.876 -0.045 18766 1351 1 15 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.244 -0.223 18766 1352 1 15 . 1 1 15 15 GLY H H 15 8.668 8.668 8.709 -0.041 18766 1353 1 15 . 1 1 16 16 SER HA H 16 4.614 4.614 4.349 0.265 18766 1354 1 15 . 1 1 16 16 SER CA C 16 57.346 57.346 58.574 -1.228 18766 1355 1 15 . 1 1 16 16 SER CB C 16 63.633 63.633 64.008 -0.375 18766 1356 1 15 . 1 1 16 16 SER H H 16 8.231 8.231 8.310 -0.079 18766 1357 1 15 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.890 -0.324 18766 1358 1 15 . 1 1 17 17 GLY H H 17 8.096 8.096 7.744 0.352 18766 1359 1 15 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.063 -0.210 18766 1360 1 15 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.324 -0.578 18766 1361 1 15 . 1 1 18 18 ASN CB C 18 39.290 39.290 43.199 -3.909 18766 1362 1 15 . 1 1 18 18 ASN H H 18 8.317 8.317 8.870 -0.553 18766 1363 1 15 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.986 -0.167 18766 1364 1 15 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.579 13.669 18766 1365 1 15 . 1 1 19 19 CYS H H 19 8.872 8.872 8.628 0.244 18766 1366 1 15 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.069 0.625 18766 1367 1 15 . 1 1 20 20 VAL CB C 20 34.426 34.426 34.928 -0.502 18766 1368 1 15 . 1 1 20 20 VAL H H 20 9.428 9.428 8.465 0.963 18766 1369 1 15 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.784 -0.447 18766 1370 1 15 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.129 -0.281 18766 1371 1 15 . 1 1 21 21 TYR CB C 21 38.105 38.105 37.968 0.137 18766 1372 1 15 . 1 1 21 21 TYR H H 21 8.524 8.524 7.623 0.901 18766 1373 1 15 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.475 -0.242 18766 1374 1 15 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.790 -1.599 18766 1375 1 15 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.164 -2.119 18766 1376 1 15 . 1 1 22 22 ASP H H 22 7.968 7.968 8.284 -0.316 18766 1377 1 15 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.120 -0.332 18766 1378 1 15 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.083 -0.662 18766 1379 1 15 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.666 -0.583 18766 1380 1 15 . 1 1 23 23 ALA H H 23 7.706 7.706 8.066 -0.360 18766 1381 1 15 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.360 0.081 18766 1382 1 15 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.387 -1.096 18766 1383 1 15 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.723 -1.744 18766 1384 1 15 . 1 1 24 24 TYR H H 24 7.843 7.843 7.762 0.081 18766 1385 1 15 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.756 -0.188 18766 1386 1 15 . 1 1 25 25 GLY H H 25 7.747 7.747 7.469 0.278 18766 1387 1 15 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.709 -0.021 18766 1388 1 15 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.419 13.865 18766 1389 1 15 . 1 1 26 26 CYS H H 26 8.091 8.091 8.468 -0.377 18766 1390 1 15 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.148 -0.394 18766 1391 1 15 . 1 1 27 27 GLY H H 27 8.546 8.546 8.482 0.064 18766 1392 1 15 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.464 -0.051 18766 1393 1 15 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.898 7.230 18766 1394 1 15 . 1 1 28 28 ALA CB C 28 18.606 18.606 20.088 -1.482 18766 1395 1 15 . 1 1 28 28 ALA H H 28 8.016 8.016 7.705 0.311 18766 1396 1 16 . 1 1 2 2 SER HA H 2 4.613 4.613 4.696 -0.083 18766 1397 1 16 . 1 1 2 2 SER CA C 2 57.815 57.815 57.937 -0.122 18766 1398 1 16 . 1 1 2 2 SER CB C 2 63.213 63.213 62.454 0.759 18766 1399 1 16 . 1 1 2 2 SER H H 2 8.641 8.641 8.453 0.188 18766 1400 1 16 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.324 -0.079 18766 1401 1 16 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.638 -0.526 18766 1402 1 16 . 1 1 3 3 ILE CB C 3 38.386 38.386 39.057 -0.671 18766 1403 1 16 . 1 1 3 3 ILE H H 3 8.297 8.297 7.242 1.055 18766 1404 1 16 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.722 0.184 18766 1405 1 16 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.776 -0.985 18766 1406 1 16 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.413 -1.087 18766 1407 1 16 . 1 1 4 4 ASP H H 4 8.392 8.392 8.497 -0.105 18766 1408 1 16 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.624 0.071 18766 1409 1 16 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.294 -1.186 18766 1410 1 16 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.496 -0.016 18766 1411 1 16 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.638 -0.302 18766 1412 1 16 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.566 -0.909 18766 1413 1 16 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.499 0.206 18766 1414 1 16 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.580 11.507 18766 1415 1 16 . 1 1 7 7 CYS H H 7 8.431 8.431 8.633 -0.202 18766 1416 1 16 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.088 0.144 18766 1417 1 16 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.325 -0.943 18766 1418 1 16 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.412 0.234 18766 1419 1 16 . 1 1 8 8 ARG H H 8 8.371 8.371 8.461 -0.090 18766 1420 1 16 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.325 0.086 18766 1421 1 16 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.368 -7.618 18766 1422 1 16 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.643 0.025 18766 1423 1 16 . 1 1 9 9 PHE H H 9 8.304 8.304 8.423 -0.119 18766 1424 1 16 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.004 -0.248 18766 1425 1 16 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.810 -0.752 18766 1426 1 16 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.637 16.728 18766 1427 1 16 . 1 1 10 10 CYS H H 10 8.564 8.564 8.729 -0.165 18766 1428 1 16 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.117 -0.017 18766 1429 1 16 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.739 0.120 18766 1430 1 16 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.399 -1.768 18766 1431 1 16 . 1 1 11 11 TYR H H 11 8.239 8.239 8.156 0.083 18766 1432 1 16 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.795 0.238 18766 1433 1 16 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.699 -1.085 18766 1434 1 16 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.161 -1.449 18766 1435 1 16 . 1 1 12 12 HIS H H 12 9.283 9.283 8.307 0.976 18766 1436 1 16 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.276 0.510 18766 1437 1 16 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.165 -1.884 18766 1438 1 16 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.549 -0.448 18766 1439 1 16 . 1 1 13 13 ARG H H 13 8.941 8.941 8.792 0.149 18766 1440 1 16 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.812 0.049 18766 1441 1 16 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.200 -1.787 18766 1442 1 16 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.985 -1.162 18766 1443 1 16 . 1 1 14 14 ASP H H 14 8.831 8.831 8.752 0.079 18766 1444 1 16 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.290 -0.269 18766 1445 1 16 . 1 1 15 15 GLY H H 15 8.668 8.668 8.419 0.249 18766 1446 1 16 . 1 1 16 16 SER HA H 16 4.614 4.614 4.376 0.238 18766 1447 1 16 . 1 1 16 16 SER CA C 16 57.346 57.346 58.542 -1.196 18766 1448 1 16 . 1 1 16 16 SER CB C 16 63.633 63.633 64.032 -0.399 18766 1449 1 16 . 1 1 16 16 SER H H 16 8.231 8.231 8.304 -0.073 18766 1450 1 16 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.812 -0.246 18766 1451 1 16 . 1 1 17 17 GLY H H 17 8.096 8.096 7.611 0.485 18766 1452 1 16 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.065 -0.212 18766 1453 1 16 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.230 -0.484 18766 1454 1 16 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.965 -3.675 18766 1455 1 16 . 1 1 18 18 ASN H H 18 8.317 8.317 8.772 -0.455 18766 1456 1 16 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.991 -0.172 18766 1457 1 16 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.462 13.786 18766 1458 1 16 . 1 1 19 19 CYS H H 19 8.872 8.872 8.639 0.233 18766 1459 1 16 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.142 0.552 18766 1460 1 16 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.230 -0.804 18766 1461 1 16 . 1 1 20 20 VAL H H 20 9.428 9.428 8.442 0.986 18766 1462 1 16 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.776 -0.439 18766 1463 1 16 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.038 -0.190 18766 1464 1 16 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.039 0.066 18766 1465 1 16 . 1 1 21 21 TYR H H 21 8.524 8.524 7.636 0.888 18766 1466 1 16 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.444 -0.211 18766 1467 1 16 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.638 -1.447 18766 1468 1 16 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.152 -2.107 18766 1469 1 16 . 1 1 22 22 ASP H H 22 7.968 7.968 8.280 -0.312 18766 1470 1 16 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.143 -0.355 18766 1471 1 16 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.395 -0.974 18766 1472 1 16 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.849 -0.766 18766 1473 1 16 . 1 1 23 23 ALA H H 23 7.706 7.706 8.296 -0.590 18766 1474 1 16 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.519 -0.078 18766 1475 1 16 . 1 1 24 24 TYR CA C 24 57.291 57.291 57.585 -0.294 18766 1476 1 16 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.286 -1.307 18766 1477 1 16 . 1 1 24 24 TYR H H 24 7.843 7.843 8.071 -0.228 18766 1478 1 16 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.839 -0.271 18766 1479 1 16 . 1 1 25 25 GLY H H 25 7.747 7.747 7.482 0.265 18766 1480 1 16 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.738 -0.050 18766 1481 1 16 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.522 13.762 18766 1482 1 16 . 1 1 26 26 CYS H H 26 8.091 8.091 8.447 -0.356 18766 1483 1 16 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.519 -0.765 18766 1484 1 16 . 1 1 27 27 GLY H H 27 8.546 8.546 8.378 0.168 18766 1485 1 16 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.445 -0.032 18766 1486 1 16 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.140 6.988 18766 1487 1 16 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.023 -0.417 18766 1488 1 16 . 1 1 28 28 ALA H H 28 8.016 8.016 8.278 -0.262 18766 1489 1 17 . 1 1 2 2 SER HA H 2 4.613 4.613 4.720 -0.107 18766 1490 1 17 . 1 1 2 2 SER CA C 2 57.815 57.815 58.431 -0.616 18766 1491 1 17 . 1 1 2 2 SER CB C 2 63.213 63.213 63.688 -0.475 18766 1492 1 17 . 1 1 2 2 SER H H 2 8.641 8.641 8.083 0.558 18766 1493 1 17 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.292 -0.047 18766 1494 1 17 . 1 1 3 3 ILE CA C 3 60.112 60.112 61.078 -0.966 18766 1495 1 17 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.877 -0.491 18766 1496 1 17 . 1 1 3 3 ILE H H 3 8.297 8.297 8.176 0.121 18766 1497 1 17 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.759 0.147 18766 1498 1 17 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.471 -0.680 18766 1499 1 17 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.984 -1.658 18766 1500 1 17 . 1 1 4 4 ASP H H 4 8.392 8.392 8.370 0.022 18766 1501 1 17 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.645 0.050 18766 1502 1 17 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.271 -1.163 18766 1503 1 17 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.463 0.017 18766 1504 1 17 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.658 -0.322 18766 1505 1 17 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.693 -1.036 18766 1506 1 17 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.503 0.202 18766 1507 1 17 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.760 11.327 18766 1508 1 17 . 1 1 7 7 CYS H H 7 8.431 8.431 8.589 -0.158 18766 1509 1 17 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.125 0.107 18766 1510 1 17 . 1 1 8 8 ARG CA C 8 55.382 55.382 55.759 -0.377 18766 1511 1 17 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.225 0.421 18766 1512 1 17 . 1 1 8 8 ARG H H 8 8.371 8.371 8.518 -0.147 18766 1513 1 17 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.312 0.099 18766 1514 1 17 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.682 -7.932 18766 1515 1 17 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.760 -0.092 18766 1516 1 17 . 1 1 9 9 PHE H H 9 8.304 8.304 8.437 -0.133 18766 1517 1 17 . 1 1 10 10 CYS HA H 10 3.756 3.756 3.977 -0.221 18766 1518 1 17 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.799 -0.740 18766 1519 1 17 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.657 16.708 18766 1520 1 17 . 1 1 10 10 CYS H H 10 8.564 8.564 8.638 -0.074 18766 1521 1 17 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.139 -0.039 18766 1522 1 17 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.684 0.175 18766 1523 1 17 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.443 -1.812 18766 1524 1 17 . 1 1 11 11 TYR H H 11 8.239 8.239 8.089 0.150 18766 1525 1 17 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.800 0.233 18766 1526 1 17 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.703 -1.089 18766 1527 1 17 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.145 -1.433 18766 1528 1 17 . 1 1 12 12 HIS H H 12 9.283 9.283 8.280 1.003 18766 1529 1 17 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.261 0.525 18766 1530 1 17 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.167 -1.886 18766 1531 1 17 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.562 -0.460 18766 1532 1 17 . 1 1 13 13 ARG H H 13 8.941 8.941 8.783 0.158 18766 1533 1 17 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.826 0.035 18766 1534 1 17 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.242 -1.829 18766 1535 1 17 . 1 1 14 14 ASP CB C 14 40.823 40.823 42.005 -1.182 18766 1536 1 17 . 1 1 14 14 ASP H H 14 8.831 8.831 8.755 0.076 18766 1537 1 17 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.188 -0.167 18766 1538 1 17 . 1 1 15 15 GLY H H 15 8.668 8.668 8.553 0.115 18766 1539 1 17 . 1 1 16 16 SER HA H 16 4.614 4.614 4.388 0.226 18766 1540 1 17 . 1 1 16 16 SER CA C 16 57.346 57.346 59.100 -1.754 18766 1541 1 17 . 1 1 16 16 SER CB C 16 63.633 63.633 64.116 -0.483 18766 1542 1 17 . 1 1 16 16 SER H H 16 8.231 8.231 8.527 -0.296 18766 1543 1 17 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.840 -0.274 18766 1544 1 17 . 1 1 17 17 GLY H H 17 8.096 8.096 7.841 0.255 18766 1545 1 17 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.046 -0.193 18766 1546 1 17 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.213 -0.467 18766 1547 1 17 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.950 -3.660 18766 1548 1 17 . 1 1 18 18 ASN H H 18 8.317 8.317 8.900 -0.583 18766 1549 1 17 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.999 -0.180 18766 1550 1 17 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.697 13.551 18766 1551 1 17 . 1 1 19 19 CYS H H 19 8.872 8.872 8.611 0.261 18766 1552 1 17 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.031 0.663 18766 1553 1 17 . 1 1 20 20 VAL CB C 20 34.426 34.426 34.900 -0.474 18766 1554 1 17 . 1 1 20 20 VAL H H 20 9.428 9.428 8.375 1.053 18766 1555 1 17 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.811 -0.474 18766 1556 1 17 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.035 -0.187 18766 1557 1 17 . 1 1 21 21 TYR CB C 21 38.105 38.105 37.948 0.157 18766 1558 1 17 . 1 1 21 21 TYR H H 21 8.524 8.524 7.646 0.878 18766 1559 1 17 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.439 -0.206 18766 1560 1 17 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.739 -1.548 18766 1561 1 17 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.173 -2.128 18766 1562 1 17 . 1 1 22 22 ASP H H 22 7.968 7.968 8.268 -0.300 18766 1563 1 17 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.092 -0.304 18766 1564 1 17 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.086 -0.665 18766 1565 1 17 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.678 -0.595 18766 1566 1 17 . 1 1 23 23 ALA H H 23 7.706 7.706 8.336 -0.630 18766 1567 1 17 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.505 -0.064 18766 1568 1 17 . 1 1 24 24 TYR CA C 24 57.291 57.291 57.840 -0.549 18766 1569 1 17 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.340 -1.361 18766 1570 1 17 . 1 1 24 24 TYR H H 24 7.843 7.843 8.095 -0.252 18766 1571 1 17 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.833 -0.265 18766 1572 1 17 . 1 1 25 25 GLY H H 25 7.747 7.747 7.488 0.259 18766 1573 1 17 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.704 -0.016 18766 1574 1 17 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.412 13.872 18766 1575 1 17 . 1 1 26 26 CYS H H 26 8.091 8.091 8.465 -0.374 18766 1576 1 17 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.119 -0.365 18766 1577 1 17 . 1 1 27 27 GLY H H 27 8.546 8.546 8.477 0.069 18766 1578 1 17 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.476 -0.063 18766 1579 1 17 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.697 7.431 18766 1580 1 17 . 1 1 28 28 ALA CB C 28 18.606 18.606 20.052 -1.446 18766 1581 1 17 . 1 1 28 28 ALA H H 28 8.016 8.016 7.735 0.281 18766 1582 1 18 . 1 1 2 2 SER HA H 2 4.613 4.613 4.892 -0.279 18766 1583 1 18 . 1 1 2 2 SER CA C 2 57.815 57.815 58.083 -0.268 18766 1584 1 18 . 1 1 2 2 SER CB C 2 63.213 63.213 64.218 -1.004 18766 1585 1 18 . 1 1 2 2 SER H H 2 8.641 8.641 8.372 0.269 18766 1586 1 18 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.390 -0.145 18766 1587 1 18 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.923 -0.811 18766 1588 1 18 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.883 -0.497 18766 1589 1 18 . 1 1 3 3 ILE H H 3 8.297 8.297 7.993 0.304 18766 1590 1 18 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.727 0.179 18766 1591 1 18 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.492 -0.702 18766 1592 1 18 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.763 -1.437 18766 1593 1 18 . 1 1 4 4 ASP H H 4 8.392 8.392 8.393 -0.001 18766 1594 1 18 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.578 0.117 18766 1595 1 18 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.299 -1.191 18766 1596 1 18 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.498 -0.018 18766 1597 1 18 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.648 -0.312 18766 1598 1 18 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.575 -0.918 18766 1599 1 18 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.493 0.212 18766 1600 1 18 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.631 11.456 18766 1601 1 18 . 1 1 7 7 CYS H H 7 8.431 8.431 8.621 -0.190 18766 1602 1 18 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.096 0.136 18766 1603 1 18 . 1 1 8 8 ARG CA C 8 55.382 55.382 55.996 -0.614 18766 1604 1 18 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.226 0.420 18766 1605 1 18 . 1 1 8 8 ARG H H 8 8.371 8.371 8.468 -0.097 18766 1606 1 18 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.339 0.072 18766 1607 1 18 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.422 -7.672 18766 1608 1 18 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.893 -0.225 18766 1609 1 18 . 1 1 9 9 PHE H H 9 8.304 8.304 8.340 -0.036 18766 1610 1 18 . 1 1 10 10 CYS HA H 10 3.756 3.756 3.986 -0.230 18766 1611 1 18 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.800 -0.741 18766 1612 1 18 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.642 16.724 18766 1613 1 18 . 1 1 10 10 CYS H H 10 8.564 8.564 8.666 -0.102 18766 1614 1 18 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.148 -0.048 18766 1615 1 18 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.693 0.166 18766 1616 1 18 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.452 -1.821 18766 1617 1 18 . 1 1 11 11 TYR H H 11 8.239 8.239 8.111 0.129 18766 1618 1 18 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.805 0.228 18766 1619 1 18 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.719 -1.105 18766 1620 1 18 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.145 -1.433 18766 1621 1 18 . 1 1 12 12 HIS H H 12 9.283 9.283 8.288 0.995 18766 1622 1 18 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.277 0.509 18766 1623 1 18 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.178 -1.897 18766 1624 1 18 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.578 -0.476 18766 1625 1 18 . 1 1 13 13 ARG H H 13 8.941 8.941 8.788 0.153 18766 1626 1 18 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.840 0.021 18766 1627 1 18 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.269 -1.856 18766 1628 1 18 . 1 1 14 14 ASP CB C 14 40.823 40.823 42.004 -1.181 18766 1629 1 18 . 1 1 14 14 ASP H H 14 8.831 8.831 8.771 0.060 18766 1630 1 18 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.202 -0.181 18766 1631 1 18 . 1 1 15 15 GLY H H 15 8.668 8.668 8.572 0.096 18766 1632 1 18 . 1 1 16 16 SER HA H 16 4.614 4.614 4.397 0.217 18766 1633 1 18 . 1 1 16 16 SER CA C 16 57.346 57.346 59.149 -1.803 18766 1634 1 18 . 1 1 16 16 SER CB C 16 63.633 63.633 64.133 -0.500 18766 1635 1 18 . 1 1 16 16 SER H H 16 8.231 8.231 8.547 -0.316 18766 1636 1 18 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.828 -0.262 18766 1637 1 18 . 1 1 17 17 GLY H H 17 8.096 8.096 7.840 0.256 18766 1638 1 18 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.043 -0.190 18766 1639 1 18 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.325 -0.579 18766 1640 1 18 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.925 -3.635 18766 1641 1 18 . 1 1 18 18 ASN H H 18 8.317 8.317 8.901 -0.584 18766 1642 1 18 . 1 1 19 19 CYS HA H 19 4.819 4.819 5.016 -0.197 18766 1643 1 18 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.316 13.932 18766 1644 1 18 . 1 1 19 19 CYS H H 19 8.872 8.872 8.616 0.256 18766 1645 1 18 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.075 0.619 18766 1646 1 18 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.331 -0.905 18766 1647 1 18 . 1 1 20 20 VAL H H 20 9.428 9.428 8.234 1.194 18766 1648 1 18 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.825 -0.488 18766 1649 1 18 . 1 1 21 21 TYR CA C 21 57.848 57.848 57.908 -0.060 18766 1650 1 18 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.148 -0.043 18766 1651 1 18 . 1 1 21 21 TYR H H 21 8.524 8.524 7.659 0.865 18766 1652 1 18 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.465 -0.232 18766 1653 1 18 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.785 -1.594 18766 1654 1 18 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.199 -2.154 18766 1655 1 18 . 1 1 22 22 ASP H H 22 7.968 7.968 8.276 -0.308 18766 1656 1 18 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.061 -0.273 18766 1657 1 18 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.037 -0.616 18766 1658 1 18 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.605 -0.522 18766 1659 1 18 . 1 1 23 23 ALA H H 23 7.706 7.706 8.335 -0.629 18766 1660 1 18 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.475 -0.034 18766 1661 1 18 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.561 -1.270 18766 1662 1 18 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.488 -1.509 18766 1663 1 18 . 1 1 24 24 TYR H H 24 7.843 7.843 8.090 -0.247 18766 1664 1 18 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.786 -0.218 18766 1665 1 18 . 1 1 25 25 GLY H H 25 7.747 7.747 7.470 0.277 18766 1666 1 18 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.705 -0.017 18766 1667 1 18 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.515 13.769 18766 1668 1 18 . 1 1 26 26 CYS H H 26 8.091 8.091 8.476 -0.385 18766 1669 1 18 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.221 -0.467 18766 1670 1 18 . 1 1 27 27 GLY H H 27 8.546 8.546 8.118 0.428 18766 1671 1 18 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.442 -0.029 18766 1672 1 18 . 1 1 28 28 ALA CA C 28 59.128 59.128 52.141 6.987 18766 1673 1 18 . 1 1 28 28 ALA CB C 28 18.606 18.606 18.851 -0.245 18766 1674 1 18 . 1 1 28 28 ALA H H 28 8.016 8.016 8.094 -0.078 18766 1675 1 19 . 1 1 2 2 SER HA H 2 4.613 4.613 4.797 -0.184 18766 1676 1 19 . 1 1 2 2 SER CA C 2 57.815 57.815 58.087 -0.272 18766 1677 1 19 . 1 1 2 2 SER CB C 2 63.213 63.213 64.152 -0.939 18766 1678 1 19 . 1 1 2 2 SER H H 2 8.641 8.641 7.988 0.653 18766 1679 1 19 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.429 -0.184 18766 1680 1 19 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.815 -0.703 18766 1681 1 19 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.738 -0.352 18766 1682 1 19 . 1 1 3 3 ILE H H 3 8.297 8.297 8.239 0.058 18766 1683 1 19 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.797 0.109 18766 1684 1 19 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.607 -0.816 18766 1685 1 19 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.819 -1.493 18766 1686 1 19 . 1 1 4 4 ASP H H 4 8.392 8.392 8.379 0.013 18766 1687 1 19 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.587 0.108 18766 1688 1 19 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.346 -1.238 18766 1689 1 19 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.496 -0.016 18766 1690 1 19 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.592 -0.256 18766 1691 1 19 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.615 -0.958 18766 1692 1 19 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.479 0.226 18766 1693 1 19 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.509 11.578 18766 1694 1 19 . 1 1 7 7 CYS H H 7 8.431 8.431 8.634 -0.203 18766 1695 1 19 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.073 0.159 18766 1696 1 19 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.329 -0.947 18766 1697 1 19 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.428 0.218 18766 1698 1 19 . 1 1 8 8 ARG H H 8 8.371 8.371 8.438 -0.067 18766 1699 1 19 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.331 0.080 18766 1700 1 19 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.317 -7.567 18766 1701 1 19 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.685 -0.017 18766 1702 1 19 . 1 1 9 9 PHE H H 9 8.304 8.304 8.393 -0.089 18766 1703 1 19 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.004 -0.248 18766 1704 1 19 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.830 -0.770 18766 1705 1 19 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.620 16.745 18766 1706 1 19 . 1 1 10 10 CYS H H 10 8.564 8.564 8.741 -0.177 18766 1707 1 19 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.128 -0.028 18766 1708 1 19 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.756 0.103 18766 1709 1 19 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.412 -1.781 18766 1710 1 19 . 1 1 11 11 TYR H H 11 8.239 8.239 8.140 0.099 18766 1711 1 19 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.809 0.224 18766 1712 1 19 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.723 -1.109 18766 1713 1 19 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.128 -1.416 18766 1714 1 19 . 1 1 12 12 HIS H H 12 9.283 9.283 8.303 0.980 18766 1715 1 19 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.284 0.502 18766 1716 1 19 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.176 -1.895 18766 1717 1 19 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.588 -0.486 18766 1718 1 19 . 1 1 13 13 ARG H H 13 8.941 8.941 8.796 0.145 18766 1719 1 19 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.850 0.011 18766 1720 1 19 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.272 -1.859 18766 1721 1 19 . 1 1 14 14 ASP CB C 14 40.823 40.823 42.014 -1.191 18766 1722 1 19 . 1 1 14 14 ASP H H 14 8.831 8.831 8.776 0.055 18766 1723 1 19 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.049 -0.028 18766 1724 1 19 . 1 1 15 15 GLY H H 15 8.668 8.668 8.602 0.066 18766 1725 1 19 . 1 1 16 16 SER HA H 16 4.614 4.614 4.364 0.250 18766 1726 1 19 . 1 1 16 16 SER CA C 16 57.346 57.346 58.388 -1.042 18766 1727 1 19 . 1 1 16 16 SER CB C 16 63.633 63.633 64.049 -0.416 18766 1728 1 19 . 1 1 16 16 SER H H 16 8.231 8.231 8.308 -0.077 18766 1729 1 19 . 1 1 17 17 GLY CA C 17 44.566 44.566 45.092 -0.526 18766 1730 1 19 . 1 1 17 17 GLY H H 17 8.096 8.096 7.849 0.247 18766 1731 1 19 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.050 -0.197 18766 1732 1 19 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.056 -0.310 18766 1733 1 19 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.834 -3.545 18766 1734 1 19 . 1 1 18 18 ASN H H 18 8.317 8.317 8.802 -0.485 18766 1735 1 19 . 1 1 19 19 CYS HA H 19 4.819 4.819 5.027 -0.208 18766 1736 1 19 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.471 13.777 18766 1737 1 19 . 1 1 19 19 CYS H H 19 8.872 8.872 8.580 0.292 18766 1738 1 19 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.071 0.623 18766 1739 1 19 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.349 -0.923 18766 1740 1 19 . 1 1 20 20 VAL H H 20 9.428 9.428 8.324 1.104 18766 1741 1 19 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.811 -0.474 18766 1742 1 19 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.002 -0.154 18766 1743 1 19 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.189 -0.084 18766 1744 1 19 . 1 1 21 21 TYR H H 21 8.524 8.524 7.649 0.875 18766 1745 1 19 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.482 -0.249 18766 1746 1 19 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.628 -1.437 18766 1747 1 19 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.180 -2.135 18766 1748 1 19 . 1 1 22 22 ASP H H 22 7.968 7.968 8.292 -0.324 18766 1749 1 19 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.087 -0.299 18766 1750 1 19 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.257 -0.836 18766 1751 1 19 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.688 -0.605 18766 1752 1 19 . 1 1 23 23 ALA H H 23 7.706 7.706 8.275 -0.569 18766 1753 1 19 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.465 -0.024 18766 1754 1 19 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.528 -1.236 18766 1755 1 19 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.558 -1.579 18766 1756 1 19 . 1 1 24 24 TYR H H 24 7.843 7.843 8.038 -0.195 18766 1757 1 19 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.646 -0.078 18766 1758 1 19 . 1 1 25 25 GLY H H 25 7.747 7.747 7.477 0.270 18766 1759 1 19 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.813 -0.125 18766 1760 1 19 . 1 1 26 26 CYS CB C 26 40.284 40.284 25.992 14.292 18766 1761 1 19 . 1 1 26 26 CYS H H 26 8.091 8.091 8.279 -0.188 18766 1762 1 19 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.396 -0.642 18766 1763 1 19 . 1 1 27 27 GLY H H 27 8.546 8.546 8.348 0.198 18766 1764 1 19 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.450 -0.037 18766 1765 1 19 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.958 7.170 18766 1766 1 19 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.045 -0.439 18766 1767 1 19 . 1 1 28 28 ALA H H 28 8.016 8.016 8.033 -0.017 18766 1768 1 20 . 1 1 2 2 SER HA H 2 4.613 4.613 4.708 -0.095 18766 1769 1 20 . 1 1 2 2 SER CA C 2 57.815 57.815 58.224 -0.409 18766 1770 1 20 . 1 1 2 2 SER CB C 2 63.213 63.213 63.325 -0.112 18766 1771 1 20 . 1 1 2 2 SER H H 2 8.641 8.641 8.307 0.334 18766 1772 1 20 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.278 -0.033 18766 1773 1 20 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.248 -0.136 18766 1774 1 20 . 1 1 3 3 ILE CB C 3 38.386 38.386 38.984 -0.598 18766 1775 1 20 . 1 1 3 3 ILE H H 3 8.297 8.297 7.427 0.870 18766 1776 1 20 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.778 0.128 18766 1777 1 20 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.463 -0.672 18766 1778 1 20 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.632 -1.306 18766 1779 1 20 . 1 1 4 4 ASP H H 4 8.392 8.392 8.334 0.058 18766 1780 1 20 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.642 0.053 18766 1781 1 20 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.247 -1.139 18766 1782 1 20 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.486 -0.006 18766 1783 1 20 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.668 -0.332 18766 1784 1 20 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.595 -0.938 18766 1785 1 20 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.525 0.180 18766 1786 1 20 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.613 11.474 18766 1787 1 20 . 1 1 7 7 CYS H H 7 8.431 8.431 8.647 -0.216 18766 1788 1 20 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.085 0.147 18766 1789 1 20 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.264 -0.882 18766 1790 1 20 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.423 0.223 18766 1791 1 20 . 1 1 8 8 ARG H H 8 8.371 8.371 8.451 -0.080 18766 1792 1 20 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.333 0.078 18766 1793 1 20 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.126 -7.376 18766 1794 1 20 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.601 0.067 18766 1795 1 20 . 1 1 9 9 PHE H H 9 8.304 8.304 8.411 -0.107 18766 1796 1 20 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.033 -0.277 18766 1797 1 20 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.838 -0.779 18766 1798 1 20 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.633 16.732 18766 1799 1 20 . 1 1 10 10 CYS H H 10 8.564 8.564 8.811 -0.247 18766 1800 1 20 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.127 -0.027 18766 1801 1 20 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.729 0.130 18766 1802 1 20 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.394 -1.763 18766 1803 1 20 . 1 1 11 11 TYR H H 11 8.239 8.239 8.156 0.083 18766 1804 1 20 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.760 0.273 18766 1805 1 20 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.779 -1.165 18766 1806 1 20 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.150 -1.438 18766 1807 1 20 . 1 1 12 12 HIS H H 12 9.283 9.283 8.322 0.961 18766 1808 1 20 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.227 0.559 18766 1809 1 20 . 1 1 13 13 ARG CA C 13 55.281 55.281 56.971 -1.690 18766 1810 1 20 . 1 1 13 13 ARG CB C 13 30.102 30.102 29.925 0.177 18766 1811 1 20 . 1 1 13 13 ARG H H 13 8.941 8.941 8.791 0.150 18766 1812 1 20 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.798 0.063 18766 1813 1 20 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.190 -1.777 18766 1814 1 20 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.830 -1.007 18766 1815 1 20 . 1 1 14 14 ASP H H 14 8.831 8.831 8.063 0.768 18766 1816 1 20 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.436 -0.415 18766 1817 1 20 . 1 1 15 15 GLY H H 15 8.668 8.668 8.525 0.143 18766 1818 1 20 . 1 1 16 16 SER HA H 16 4.614 4.614 4.344 0.270 18766 1819 1 20 . 1 1 16 16 SER CA C 16 57.346 57.346 59.229 -1.883 18766 1820 1 20 . 1 1 16 16 SER CB C 16 63.633 63.633 63.776 -0.143 18766 1821 1 20 . 1 1 16 16 SER H H 16 8.231 8.231 8.077 0.154 18766 1822 1 20 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.789 -0.223 18766 1823 1 20 . 1 1 17 17 GLY H H 17 8.096 8.096 7.816 0.280 18766 1824 1 20 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.051 -0.198 18766 1825 1 20 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.362 -0.616 18766 1826 1 20 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.619 -3.329 18766 1827 1 20 . 1 1 18 18 ASN H H 18 8.317 8.317 9.087 -0.770 18766 1828 1 20 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.717 0.102 18766 1829 1 20 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.408 13.840 18766 1830 1 20 . 1 1 19 19 CYS H H 19 8.872 8.872 8.950 -0.078 18766 1831 1 20 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.067 0.627 18766 1832 1 20 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.078 -0.652 18766 1833 1 20 . 1 1 20 20 VAL H H 20 9.428 9.428 8.260 1.168 18766 1834 1 20 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.776 -0.439 18766 1835 1 20 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.135 -0.286 18766 1836 1 20 . 1 1 21 21 TYR CB C 21 38.105 38.105 37.926 0.179 18766 1837 1 20 . 1 1 21 21 TYR H H 21 8.524 8.524 7.618 0.906 18766 1838 1 20 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.453 -0.220 18766 1839 1 20 . 1 1 22 22 ASP CA C 22 52.191 52.191 54.026 -1.835 18766 1840 1 20 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.241 -2.196 18766 1841 1 20 . 1 1 22 22 ASP H H 22 7.968 7.968 8.273 -0.305 18766 1842 1 20 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.125 -0.337 18766 1843 1 20 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.372 -0.951 18766 1844 1 20 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.856 -0.773 18766 1845 1 20 . 1 1 23 23 ALA H H 23 7.706 7.706 8.343 -0.637 18766 1846 1 20 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.496 -0.055 18766 1847 1 20 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.120 -0.829 18766 1848 1 20 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.404 -1.425 18766 1849 1 20 . 1 1 24 24 TYR H H 24 7.843 7.843 8.107 -0.264 18766 1850 1 20 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.817 -0.249 18766 1851 1 20 . 1 1 25 25 GLY H H 25 7.747 7.747 7.484 0.263 18766 1852 1 20 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.687 0.001 18766 1853 1 20 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.402 13.882 18766 1854 1 20 . 1 1 26 26 CYS H H 26 8.091 8.091 8.531 -0.440 18766 1855 1 20 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.114 -0.359 18766 1856 1 20 . 1 1 27 27 GLY H H 27 8.546 8.546 8.340 0.206 18766 1857 1 20 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.542 -0.129 18766 1858 1 20 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.752 7.376 18766 1859 1 20 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.987 -1.381 18766 1860 1 20 . 1 1 28 28 ALA H H 28 8.016 8.016 7.975 0.041 18766 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 18766 2 1 1 "Average Difference" HA 31 0.277 -0.088 0.267 18766 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18766 4 1 1 "Average Difference" CA 22 2.428 0.744 2.366 18766 5 1 1 "Average Difference" CB 23 5.993 -1.559 5.917 18766 6 1 1 "Average Difference" HN 25 0.438 -0.108 0.433 18766 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18766 8 1 2 "Average Difference" HA 31 0.276 -0.068 0.272 18766 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18766 10 1 2 "Average Difference" CA 22 2.407 0.690 2.361 18766 11 1 2 "Average Difference" CB 23 6.022 -1.501 5.963 18766 12 1 2 "Average Difference" HN 25 0.415 -0.125 0.403 18766 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18766 14 1 3 "Average Difference" HA 31 0.270 -0.079 0.263 18766 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18766 16 1 3 "Average Difference" CA 22 2.415 0.699 2.366 18766 17 1 3 "Average Difference" CB 23 5.989 -1.568 5.909 18766 18 1 3 "Average Difference" HN 25 0.426 -0.075 0.428 18766 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18766 20 1 4 "Average Difference" HA 31 0.272 -0.072 0.267 18766 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18766 22 1 4 "Average Difference" CA 22 2.497 0.690 2.456 18766 23 1 4 "Average Difference" CB 23 6.043 -1.477 5.991 18766 24 1 4 "Average Difference" HN 25 0.425 -0.113 0.418 18766 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18766 26 1 5 "Average Difference" HA 31 0.257 -0.054 0.255 18766 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18766 28 1 5 "Average Difference" CA 22 2.430 0.646 2.398 18766 29 1 5 "Average Difference" CB 23 6.052 -1.564 5.978 18766 30 1 5 "Average Difference" HN 25 0.441 -0.107 0.436 18766 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18766 32 1 6 "Average Difference" HA 31 0.275 -0.073 0.269 18766 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18766 34 1 6 "Average Difference" CA 22 2.349 0.665 2.306 18766 35 1 6 "Average Difference" CB 23 5.964 -1.584 5.880 18766 36 1 6 "Average Difference" HN 25 0.435 -0.093 0.434 18766 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18766 38 1 7 "Average Difference" HA 31 0.252 -0.057 0.250 18766 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18766 40 1 7 "Average Difference" CA 22 2.420 0.713 2.367 18766 41 1 7 "Average Difference" CB 23 6.058 -1.592 5.976 18766 42 1 7 "Average Difference" HN 25 0.415 -0.090 0.413 18766 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18766 44 1 8 "Average Difference" HA 31 0.269 -0.079 0.262 18766 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18766 46 1 8 "Average Difference" CA 22 2.349 0.742 2.281 18766 47 1 8 "Average Difference" CB 23 6.000 -1.575 5.920 18766 48 1 8 "Average Difference" HN 25 0.448 -0.092 0.448 18766 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18766 50 1 9 "Average Difference" HA 31 0.287 -0.085 0.278 18766 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18766 52 1 9 "Average Difference" CA 22 2.406 0.713 2.352 18766 53 1 9 "Average Difference" CB 23 5.961 -1.576 5.878 18766 54 1 9 "Average Difference" HN 25 0.425 -0.107 0.420 18766 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18766 56 1 10 "Average Difference" HA 31 0.263 -0.055 0.262 18766 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18766 58 1 10 "Average Difference" CA 22 2.377 0.703 2.325 18766 59 1 10 "Average Difference" CB 23 5.996 -1.593 5.911 18766 60 1 10 "Average Difference" HN 25 0.427 -0.090 0.426 18766 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18766 62 1 11 "Average Difference" HA 31 0.262 -0.079 0.254 18766 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18766 64 1 11 "Average Difference" CA 22 2.317 0.666 2.272 18766 65 1 11 "Average Difference" CB 23 5.990 -1.648 5.888 18766 66 1 11 "Average Difference" HN 25 0.449 -0.120 0.442 18766 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18766 68 1 12 "Average Difference" HA 31 0.269 -0.091 0.257 18766 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18766 70 1 12 "Average Difference" CA 22 2.398 0.727 2.339 18766 71 1 12 "Average Difference" CB 23 6.059 -1.659 5.958 18766 72 1 12 "Average Difference" HN 25 0.417 -0.067 0.420 18766 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18766 74 1 13 "Average Difference" HA 31 0.255 -0.069 0.249 18766 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18766 76 1 13 "Average Difference" CA 22 2.389 0.694 2.339 18766 77 1 13 "Average Difference" CB 23 6.124 -1.596 6.045 18766 78 1 13 "Average Difference" HN 25 0.405 -0.076 0.406 18766 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18766 80 1 14 "Average Difference" HA 31 0.251 -0.073 0.244 18766 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18766 82 1 14 "Average Difference" CA 22 2.420 0.630 2.392 18766 83 1 14 "Average Difference" CB 23 6.097 -1.733 5.977 18766 84 1 14 "Average Difference" HN 25 0.409 -0.071 0.411 18766 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18766 86 1 15 "Average Difference" HA 31 0.271 -0.077 0.264 18766 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18766 88 1 15 "Average Difference" CA 22 2.409 0.592 2.390 18766 89 1 15 "Average Difference" CB 23 6.003 -1.542 5.932 18766 90 1 15 "Average Difference" HN 25 0.413 -0.121 0.403 18766 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18766 92 1 16 "Average Difference" HA 31 0.272 -0.080 0.264 18766 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18766 94 1 16 "Average Difference" CA 22 2.367 0.683 2.319 18766 95 1 16 "Average Difference" CB 23 5.986 -1.683 5.874 18766 96 1 16 "Average Difference" HN 25 0.463 -0.114 0.458 18766 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18766 98 1 17 "Average Difference" HA 31 0.271 -0.079 0.264 18766 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18766 100 1 17 "Average Difference" CA 22 2.483 0.685 2.442 18766 101 1 17 "Average Difference" CB 23 5.967 -1.569 5.887 18766 102 1 17 "Average Difference" HN 25 0.436 -0.092 0.435 18766 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18766 104 1 18 "Average Difference" HA 31 0.273 -0.069 0.268 18766 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18766 106 1 18 "Average Difference" CA 22 2.400 0.722 2.343 18766 107 1 18 "Average Difference" CB 23 6.003 -1.591 5.919 18766 108 1 18 "Average Difference" HN 25 0.446 -0.092 0.446 18766 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18766 110 1 19 "Average Difference" HA 31 0.257 -0.047 0.257 18766 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18766 112 1 19 "Average Difference" CA 22 2.393 0.691 2.344 18766 113 1 19 "Average Difference" CB 23 6.052 -1.609 5.965 18766 114 1 19 "Average Difference" HN 25 0.424 -0.107 0.419 18766 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18766 116 1 20 "Average Difference" HA 31 0.269 -0.083 0.260 18766 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18766 118 1 20 "Average Difference" CA 22 2.409 0.698 2.360 18766 119 1 20 "Average Difference" CB 23 5.998 -1.668 5.890 18766 120 1 20 "Average Difference" HN 25 0.503 -0.130 0.496 18766 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 18766 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER HA H 2 4.613 4.613 4.785 -0.172 18766 2 1 . 1 1 2 2 SER CA C 2 57.815 57.815 57.909 -0.094 18766 3 1 . 1 1 2 2 SER CB C 2 63.213 63.213 64.038 -0.825 18766 4 1 . 1 1 2 2 SER H H 2 8.641 8.641 8.209 0.432 18766 5 1 . 1 1 3 3 ILE HA H 3 4.245 4.245 4.310 -0.065 18766 6 1 . 1 1 3 3 ILE CA C 3 60.112 60.112 60.669 -0.557 18766 7 1 . 1 1 3 3 ILE CB C 3 38.386 38.386 39.130 -0.744 18766 8 1 . 1 1 3 3 ILE H H 3 8.297 8.297 8.065 0.232 18766 9 1 . 1 1 4 4 ASP HA H 4 4.906 4.906 4.745 0.161 18766 10 1 . 1 1 4 4 ASP CA C 4 51.791 51.791 52.648 -0.858 18766 11 1 . 1 1 4 4 ASP CB C 4 39.326 39.326 40.788 -1.462 18766 12 1 . 1 1 4 4 ASP H H 4 8.392 8.392 8.381 0.010 18766 13 1 . 1 1 5 5 PRO HA H 5 4.695 4.695 4.609 0.086 18766 14 1 . 1 1 5 5 PRO CB C 5 30.108 30.108 31.279 -1.171 18766 15 1 . 1 1 6 6 PRO HA H 6 4.480 4.480 4.488 -0.008 18766 16 1 . 1 1 6 6 PRO CA C 6 62.336 62.336 62.635 -0.299 18766 17 1 . 1 1 6 6 PRO CB C 6 31.657 31.657 32.590 -0.933 18766 18 1 . 1 1 7 7 CYS HA H 7 4.705 4.705 4.498 0.207 18766 19 1 . 1 1 7 7 CYS CB C 7 39.087 39.087 27.571 11.516 18766 20 1 . 1 1 7 7 CYS H H 7 8.431 8.431 8.635 -0.204 18766 21 1 . 1 1 8 8 ARG HA H 8 4.232 4.232 4.083 0.149 18766 22 1 . 1 1 8 8 ARG CA C 8 55.382 55.382 56.272 -0.890 18766 23 1 . 1 1 8 8 ARG CB C 8 30.646 30.646 30.407 0.239 18766 24 1 . 1 1 8 8 ARG H H 8 8.371 8.371 8.454 -0.083 18766 25 1 . 1 1 9 9 PHE HA H 9 4.411 4.411 4.328 0.083 18766 26 1 . 1 1 9 9 PHE CA C 9 51.750 51.750 59.360 -7.610 18766 27 1 . 1 1 9 9 PHE CB C 9 38.668 38.668 38.679 -0.011 18766 28 1 . 1 1 9 9 PHE H H 9 8.304 8.304 8.403 -0.099 18766 29 1 . 1 1 10 10 CYS HA H 10 3.756 3.756 4.005 -0.249 18766 30 1 . 1 1 10 10 CYS CA C 10 59.059 59.059 59.815 -0.756 18766 31 1 . 1 1 10 10 CYS CB C 10 41.365 41.365 24.628 16.737 18766 32 1 . 1 1 10 10 CYS H H 10 8.564 8.564 8.729 -0.165 18766 33 1 . 1 1 11 11 TYR HA H 11 5.100 5.100 5.124 -0.024 18766 34 1 . 1 1 11 11 TYR CA C 11 55.859 55.859 55.734 0.125 18766 35 1 . 1 1 11 11 TYR CB C 11 40.631 40.631 42.416 -1.785 18766 36 1 . 1 1 11 11 TYR H H 11 8.239 8.239 8.149 0.090 18766 37 1 . 1 1 12 12 HIS HA H 12 5.033 5.033 4.796 0.237 18766 38 1 . 1 1 12 12 HIS CA C 12 53.614 53.614 54.733 -1.119 18766 39 1 . 1 1 12 12 HIS CB C 12 30.712 30.712 32.150 -1.438 18766 40 1 . 1 1 12 12 HIS H H 12 9.283 9.283 8.302 0.982 18766 41 1 . 1 1 13 13 ARG HA H 13 4.786 4.786 4.282 0.504 18766 42 1 . 1 1 13 13 ARG CA C 13 55.281 55.281 57.096 -1.815 18766 43 1 . 1 1 13 13 ARG CB C 13 30.102 30.102 30.471 -0.369 18766 44 1 . 1 1 13 13 ARG H H 13 8.941 8.941 8.793 0.148 18766 45 1 . 1 1 14 14 ASP HA H 14 4.861 4.861 4.832 0.029 18766 46 1 . 1 1 14 14 ASP CA C 14 51.413 51.413 53.203 -1.790 18766 47 1 . 1 1 14 14 ASP CB C 14 40.823 40.823 41.885 -1.062 18766 48 1 . 1 1 14 14 ASP H H 14 8.831 8.831 8.669 0.162 18766 49 1 . 1 1 15 15 GLY CA C 15 46.021 46.021 46.240 -0.219 18766 50 1 . 1 1 15 15 GLY H H 15 8.668 8.668 8.596 0.072 18766 51 1 . 1 1 16 16 SER HA H 16 4.614 4.614 4.391 0.223 18766 52 1 . 1 1 16 16 SER CA C 16 57.346 57.346 58.789 -1.443 18766 53 1 . 1 1 16 16 SER CB C 16 63.633 63.633 64.095 -0.462 18766 54 1 . 1 1 16 16 SER H H 16 8.231 8.231 8.374 -0.143 18766 55 1 . 1 1 17 17 GLY CA C 17 44.566 44.566 44.855 -0.289 18766 56 1 . 1 1 17 17 GLY H H 17 8.096 8.096 7.782 0.314 18766 57 1 . 1 1 18 18 ASN HA H 18 4.853 4.853 5.068 -0.215 18766 58 1 . 1 1 18 18 ASN CA C 18 51.746 51.746 52.205 -0.460 18766 59 1 . 1 1 18 18 ASN CB C 18 39.290 39.290 42.836 -3.546 18766 60 1 . 1 1 18 18 ASN H H 18 8.317 8.317 8.836 -0.519 18766 61 1 . 1 1 19 19 CYS HA H 19 4.819 4.819 4.930 -0.111 18766 62 1 . 1 1 19 19 CYS CB C 19 40.248 40.248 26.439 13.809 18766 63 1 . 1 1 19 19 CYS H H 19 8.872 8.872 8.676 0.196 18766 64 1 . 1 1 20 20 VAL HA H 20 4.694 4.694 4.085 0.609 18766 65 1 . 1 1 20 20 VAL CB C 20 34.426 34.426 35.113 -0.687 18766 66 1 . 1 1 20 20 VAL H H 20 9.428 9.428 8.403 1.025 18766 67 1 . 1 1 21 21 TYR HA H 21 3.337 3.337 3.784 -0.447 18766 68 1 . 1 1 21 21 TYR CA C 21 57.848 57.848 58.040 -0.192 18766 69 1 . 1 1 21 21 TYR CB C 21 38.105 38.105 38.035 0.070 18766 70 1 . 1 1 21 21 TYR H H 21 8.524 8.524 7.640 0.884 18766 71 1 . 1 1 22 22 ASP HA H 22 4.233 4.233 4.461 -0.228 18766 72 1 . 1 1 22 22 ASP CA C 22 52.191 52.191 53.827 -1.636 18766 73 1 . 1 1 22 22 ASP CB C 22 38.045 38.045 40.199 -2.154 18766 74 1 . 1 1 22 22 ASP H H 22 7.968 7.968 8.283 -0.315 18766 75 1 . 1 1 23 23 ALA HA H 23 3.788 3.788 4.110 -0.322 18766 76 1 . 1 1 23 23 ALA CA C 23 53.421 53.421 54.228 -0.807 18766 77 1 . 1 1 23 23 ALA CB C 23 18.083 18.083 18.756 -0.673 18766 78 1 . 1 1 23 23 ALA H H 23 7.706 7.706 8.235 -0.529 18766 79 1 . 1 1 24 24 TYR HA H 24 4.441 4.441 4.450 -0.009 18766 80 1 . 1 1 24 24 TYR CA C 24 57.291 57.291 58.206 -0.915 18766 81 1 . 1 1 24 24 TYR CB C 24 36.979 36.979 38.517 -1.538 18766 82 1 . 1 1 24 24 TYR H H 24 7.843 7.843 7.990 -0.147 18766 83 1 . 1 1 25 25 GLY CA C 25 44.568 44.568 44.762 -0.194 18766 84 1 . 1 1 25 25 GLY H H 25 7.747 7.747 7.472 0.275 18766 85 1 . 1 1 26 26 CYS HA H 26 4.688 4.688 4.720 -0.032 18766 86 1 . 1 1 26 26 CYS CB C 26 40.284 40.284 26.346 13.938 18766 87 1 . 1 1 26 26 CYS H H 26 8.091 8.091 8.418 -0.327 18766 88 1 . 1 1 27 27 GLY CA C 27 44.754 44.754 45.267 -0.512 18766 89 1 . 1 1 27 27 GLY H H 27 8.546 8.546 8.290 0.256 18766 90 1 . 1 1 28 28 ALA HA H 28 4.413 4.413 4.471 -0.058 18766 91 1 . 1 1 28 28 ALA CA C 28 59.128 59.128 51.971 7.157 18766 92 1 . 1 1 28 28 ALA CB C 28 18.606 18.606 19.381 -0.775 18766 93 1 . 1 1 28 28 ALA H H 28 8.016 8.016 8.074 -0.058 18766 stop_ save_