data_18405 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18405 _Entry.PDB_ID 2LS1 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 18405 _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 VAL HA H 2 4.859 4.859 4.679 0.180 18405 2 1 1 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.742 -1.315 18405 3 1 1 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.867 -1.672 18405 4 1 1 . 1 1 2 2 VAL H H 2 9.194 9.194 8.224 0.970 18405 5 1 1 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.015 -0.145 18405 6 1 1 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.497 -0.721 18405 7 1 1 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.611 -3.038 18405 8 1 1 . 1 1 3 3 TRP H H 3 8.721 8.721 8.463 0.258 18405 9 1 1 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.973 -0.322 18405 10 1 1 . 1 1 4 4 GLY H H 4 8.193 8.193 7.732 0.461 18405 11 1 1 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.683 -2.567 18405 12 1 1 . 1 1 5 5 GLY H H 5 8.646 8.646 7.522 1.124 18405 13 1 1 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.753 0.155 18405 14 1 1 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.339 -3.789 18405 15 1 1 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.090 -4.516 18405 16 1 1 . 1 1 6 6 ASP H H 6 8.237 8.237 8.477 -0.240 18405 17 1 1 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.122 -0.221 18405 18 1 1 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.282 -3.072 18405 19 1 1 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.298 13.602 18405 20 1 1 . 1 1 7 7 CYS H H 7 7.835 7.835 8.015 -0.180 18405 21 1 1 . 1 1 8 8 THR HA H 8 4.629 4.629 4.616 0.013 18405 22 1 1 . 1 1 8 8 THR CA C 8 61.705 61.705 61.596 0.109 18405 23 1 1 . 1 1 8 8 THR CB C 8 68.438 68.438 71.737 -3.299 18405 24 1 1 . 1 1 8 8 THR H H 8 8.501 8.501 8.078 0.423 18405 25 1 1 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.532 0.080 18405 26 1 1 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.061 -1.091 18405 27 1 1 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.745 -4.992 18405 28 1 1 . 1 1 9 9 ASP H H 9 7.887 7.887 8.299 -0.412 18405 29 1 1 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.599 -0.190 18405 30 1 1 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.393 -1.614 18405 31 1 1 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.505 -0.307 18405 32 1 1 . 1 1 10 10 PHE H H 10 8.541 8.541 8.151 0.390 18405 33 1 1 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.514 -0.550 18405 34 1 1 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.399 0.091 18405 35 1 1 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.291 -1.866 18405 36 1 1 . 1 1 11 11 LEU H H 11 8.530 8.530 8.409 0.121 18405 37 1 1 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.029 -1.285 18405 38 1 1 . 1 1 12 12 GLY H H 12 9.002 9.002 8.852 0.150 18405 39 1 1 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.934 -0.337 18405 40 1 1 . 1 1 13 13 CYS H H 13 8.628 8.628 8.105 0.523 18405 41 1 1 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.561 -0.687 18405 42 1 1 . 1 1 14 14 GLY H H 14 7.619 7.619 7.706 -0.087 18405 43 1 1 . 1 1 15 15 THR HA H 15 5.549 5.549 4.763 0.786 18405 44 1 1 . 1 1 15 15 THR CA C 15 58.660 58.660 60.381 -1.721 18405 45 1 1 . 1 1 15 15 THR CB C 15 71.883 71.883 70.639 1.244 18405 46 1 1 . 1 1 15 15 THR H H 15 9.207 9.207 8.111 1.096 18405 47 1 1 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.328 0.205 18405 48 1 1 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.889 -2.389 18405 49 1 1 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.197 -0.211 18405 50 1 1 . 1 1 16 16 ALA H H 16 8.234 8.234 7.700 0.534 18405 51 1 1 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.767 0.123 18405 52 1 1 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.792 -2.595 18405 53 1 1 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.054 -1.932 18405 54 1 1 . 1 1 17 17 TRP H H 17 8.374 8.374 8.167 0.207 18405 55 1 1 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.228 0.115 18405 56 1 1 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.220 -2.670 18405 57 1 1 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.986 0.030 18405 58 1 1 . 1 1 18 18 ILE H H 18 7.112 7.112 8.019 -0.907 18405 59 1 1 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.840 0.005 18405 60 1 1 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.751 -5.161 18405 61 1 1 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.550 12.877 18405 62 1 1 . 1 1 19 19 CYS H H 19 8.517 8.517 8.544 -0.027 18405 63 1 2 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.508 0.351 18405 64 1 2 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.608 -1.181 18405 65 1 2 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.873 -1.678 18405 66 1 2 . 1 1 2 2 VAL H H 2 9.194 9.194 7.940 1.254 18405 67 1 2 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.128 -0.258 18405 68 1 2 . 1 1 3 3 TRP CA C 3 55.776 55.776 57.246 -1.470 18405 69 1 2 . 1 1 3 3 TRP CB C 3 29.573 29.573 31.584 -2.011 18405 70 1 2 . 1 1 3 3 TRP H H 3 8.721 8.721 8.517 0.204 18405 71 1 2 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.590 0.061 18405 72 1 2 . 1 1 4 4 GLY H H 4 8.193 8.193 8.158 0.035 18405 73 1 2 . 1 1 5 5 GLY CA C 5 42.116 42.116 45.007 -2.891 18405 74 1 2 . 1 1 5 5 GLY H H 5 8.646 8.646 7.250 1.396 18405 75 1 2 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.726 0.182 18405 76 1 2 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.808 -3.258 18405 77 1 2 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.997 -4.423 18405 78 1 2 . 1 1 6 6 ASP H H 6 8.237 8.237 8.456 -0.219 18405 79 1 2 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.904 -0.003 18405 80 1 2 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.446 -3.236 18405 81 1 2 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.924 13.976 18405 82 1 2 . 1 1 7 7 CYS H H 7 7.835 7.835 7.689 0.146 18405 83 1 2 . 1 1 8 8 THR HA H 8 4.629 4.629 4.897 -0.268 18405 84 1 2 . 1 1 8 8 THR CA C 8 61.705 61.705 61.688 0.017 18405 85 1 2 . 1 1 8 8 THR CB C 8 68.438 68.438 72.760 -4.322 18405 86 1 2 . 1 1 8 8 THR H H 8 8.501 8.501 8.003 0.498 18405 87 1 2 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.480 0.132 18405 88 1 2 . 1 1 9 9 ASP CA C 9 52.970 52.970 53.951 -0.981 18405 89 1 2 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.760 -5.005 18405 90 1 2 . 1 1 9 9 ASP H H 9 7.887 7.887 8.115 -0.228 18405 91 1 2 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.633 -0.224 18405 92 1 2 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.254 -1.474 18405 93 1 2 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.076 0.122 18405 94 1 2 . 1 1 10 10 PHE H H 10 8.541 8.541 7.894 0.647 18405 95 1 2 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.468 -0.504 18405 96 1 2 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.477 0.013 18405 97 1 2 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.278 -1.853 18405 98 1 2 . 1 1 11 11 LEU H H 11 8.530 8.530 8.392 0.138 18405 99 1 2 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.850 -1.106 18405 100 1 2 . 1 1 12 12 GLY H H 12 9.002 9.002 8.911 0.091 18405 101 1 2 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.468 0.129 18405 102 1 2 . 1 1 13 13 CYS H H 13 8.628 8.628 8.084 0.544 18405 103 1 2 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.457 -0.583 18405 104 1 2 . 1 1 14 14 GLY H H 14 7.619 7.619 7.639 -0.020 18405 105 1 2 . 1 1 15 15 THR HA H 15 5.549 5.549 4.869 0.680 18405 106 1 2 . 1 1 15 15 THR CA C 15 58.660 58.660 60.226 -1.566 18405 107 1 2 . 1 1 15 15 THR CB C 15 71.883 71.883 70.655 1.228 18405 108 1 2 . 1 1 15 15 THR H H 15 9.207 9.207 7.954 1.253 18405 109 1 2 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.309 0.224 18405 110 1 2 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.257 -2.756 18405 111 1 2 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.624 -0.638 18405 112 1 2 . 1 1 16 16 ALA H H 16 8.234 8.234 8.246 -0.012 18405 113 1 2 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.717 0.173 18405 114 1 2 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.941 -2.744 18405 115 1 2 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.128 -2.006 18405 116 1 2 . 1 1 17 17 TRP H H 17 8.374 8.374 8.247 0.127 18405 117 1 2 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.195 0.148 18405 118 1 2 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.028 -2.478 18405 119 1 2 . 1 1 18 18 ILE CB C 18 38.017 38.017 36.405 1.612 18405 120 1 2 . 1 1 18 18 ILE H H 18 7.112 7.112 7.806 -0.694 18405 121 1 2 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.716 0.129 18405 122 1 2 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.532 -4.942 18405 123 1 2 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.655 12.772 18405 124 1 2 . 1 1 19 19 CYS H H 19 8.517 8.517 8.539 -0.022 18405 125 1 3 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.698 0.161 18405 126 1 3 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.764 -1.337 18405 127 1 3 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.954 -1.759 18405 128 1 3 . 1 1 2 2 VAL H H 2 9.194 9.194 8.401 0.793 18405 129 1 3 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.145 -0.275 18405 130 1 3 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.293 -0.517 18405 131 1 3 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.136 -3.562 18405 132 1 3 . 1 1 3 3 TRP H H 3 8.721 8.721 8.431 0.290 18405 133 1 3 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.914 -0.263 18405 134 1 3 . 1 1 4 4 GLY H H 4 8.193 8.193 7.787 0.406 18405 135 1 3 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.733 -2.617 18405 136 1 3 . 1 1 5 5 GLY H H 5 8.646 8.646 7.208 1.438 18405 137 1 3 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.752 0.156 18405 138 1 3 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.303 -3.752 18405 139 1 3 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.164 -4.590 18405 140 1 3 . 1 1 6 6 ASP H H 6 8.237 8.237 8.426 -0.189 18405 141 1 3 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.116 -0.215 18405 142 1 3 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.391 -3.181 18405 143 1 3 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.988 13.912 18405 144 1 3 . 1 1 7 7 CYS H H 7 7.835 7.835 7.996 -0.161 18405 145 1 3 . 1 1 8 8 THR HA H 8 4.629 4.629 4.633 -0.004 18405 146 1 3 . 1 1 8 8 THR CA C 8 61.705 61.705 61.934 -0.228 18405 147 1 3 . 1 1 8 8 THR CB C 8 68.438 68.438 72.191 -3.753 18405 148 1 3 . 1 1 8 8 THR H H 8 8.501 8.501 8.179 0.322 18405 149 1 3 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.541 0.071 18405 150 1 3 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.163 -1.193 18405 151 1 3 . 1 1 9 9 ASP CB C 9 35.754 35.754 41.066 -5.312 18405 152 1 3 . 1 1 9 9 ASP H H 9 7.887 7.887 8.079 -0.192 18405 153 1 3 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.642 -0.233 18405 154 1 3 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.447 -1.668 18405 155 1 3 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.611 -0.413 18405 156 1 3 . 1 1 10 10 PHE H H 10 8.541 8.541 8.185 0.356 18405 157 1 3 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.290 -0.326 18405 158 1 3 . 1 1 11 11 LEU CA C 11 55.490 55.490 56.015 -0.525 18405 159 1 3 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.738 -1.313 18405 160 1 3 . 1 1 11 11 LEU H H 11 8.530 8.530 8.575 -0.045 18405 161 1 3 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.139 -1.395 18405 162 1 3 . 1 1 12 12 GLY H H 12 9.002 9.002 8.865 0.137 18405 163 1 3 . 1 1 13 13 CYS HA H 13 4.597 4.597 5.033 -0.436 18405 164 1 3 . 1 1 13 13 CYS H H 13 8.628 8.628 8.040 0.588 18405 165 1 3 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.721 -0.847 18405 166 1 3 . 1 1 14 14 GLY H H 14 7.619 7.619 7.764 -0.145 18405 167 1 3 . 1 1 15 15 THR HA H 15 5.549 5.549 4.755 0.794 18405 168 1 3 . 1 1 15 15 THR CA C 15 58.660 58.660 60.040 -1.380 18405 169 1 3 . 1 1 15 15 THR CB C 15 71.883 71.883 70.462 1.421 18405 170 1 3 . 1 1 15 15 THR H H 15 9.207 9.207 8.031 1.176 18405 171 1 3 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.389 0.144 18405 172 1 3 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.872 -2.372 18405 173 1 3 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.078 -0.092 18405 174 1 3 . 1 1 16 16 ALA H H 16 8.234 8.234 7.558 0.676 18405 175 1 3 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.698 0.192 18405 176 1 3 . 1 1 17 17 TRP CA C 17 55.197 55.197 58.609 -3.412 18405 177 1 3 . 1 1 17 17 TRP CB C 17 28.122 28.122 29.903 -1.781 18405 178 1 3 . 1 1 17 17 TRP H H 17 8.374 8.374 8.159 0.215 18405 179 1 3 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.399 -0.056 18405 180 1 3 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.114 -2.564 18405 181 1 3 . 1 1 18 18 ILE CB C 18 38.017 38.017 39.093 -1.076 18405 182 1 3 . 1 1 18 18 ILE H H 18 7.112 7.112 7.898 -0.786 18405 183 1 3 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.829 0.016 18405 184 1 3 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.642 -5.052 18405 185 1 3 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.364 13.063 18405 186 1 3 . 1 1 19 19 CYS H H 19 8.517 8.517 8.284 0.233 18405 187 1 4 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.595 0.264 18405 188 1 4 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.627 -1.200 18405 189 1 4 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.564 -1.369 18405 190 1 4 . 1 1 2 2 VAL H H 2 9.194 9.194 8.111 1.083 18405 191 1 4 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.007 -0.137 18405 192 1 4 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.448 -0.672 18405 193 1 4 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.646 -3.073 18405 194 1 4 . 1 1 3 3 TRP H H 3 8.721 8.721 8.409 0.312 18405 195 1 4 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.028 -0.377 18405 196 1 4 . 1 1 4 4 GLY H H 4 8.193 8.193 7.760 0.433 18405 197 1 4 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.739 -2.623 18405 198 1 4 . 1 1 5 5 GLY H H 5 8.646 8.646 7.589 1.057 18405 199 1 4 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.757 0.151 18405 200 1 4 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.620 -3.070 18405 201 1 4 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.651 -4.077 18405 202 1 4 . 1 1 6 6 ASP H H 6 8.237 8.237 8.737 -0.500 18405 203 1 4 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.784 0.117 18405 204 1 4 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.816 -3.606 18405 205 1 4 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.816 14.084 18405 206 1 4 . 1 1 7 7 CYS H H 7 7.835 7.835 7.627 0.208 18405 207 1 4 . 1 1 8 8 THR HA H 8 4.629 4.629 4.653 -0.024 18405 208 1 4 . 1 1 8 8 THR CA C 8 61.705 61.705 61.553 0.152 18405 209 1 4 . 1 1 8 8 THR CB C 8 68.438 68.438 72.472 -4.034 18405 210 1 4 . 1 1 8 8 THR H H 8 8.501 8.501 7.707 0.794 18405 211 1 4 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.511 0.101 18405 212 1 4 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.150 -1.180 18405 213 1 4 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.703 -4.949 18405 214 1 4 . 1 1 9 9 ASP H H 9 7.887 7.887 8.292 -0.405 18405 215 1 4 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.602 -0.193 18405 216 1 4 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.395 -1.616 18405 217 1 4 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.499 -0.301 18405 218 1 4 . 1 1 10 10 PHE H H 10 8.541 8.541 8.148 0.393 18405 219 1 4 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.511 -0.547 18405 220 1 4 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.409 0.081 18405 221 1 4 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.282 -1.857 18405 222 1 4 . 1 1 11 11 LEU H H 11 8.530 8.530 8.411 0.119 18405 223 1 4 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.028 -1.284 18405 224 1 4 . 1 1 12 12 GLY H H 12 9.002 9.002 8.851 0.151 18405 225 1 4 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.931 -0.334 18405 226 1 4 . 1 1 13 13 CYS H H 13 8.628 8.628 8.107 0.521 18405 227 1 4 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.619 -0.745 18405 228 1 4 . 1 1 14 14 GLY H H 14 7.619 7.619 7.756 -0.137 18405 229 1 4 . 1 1 15 15 THR HA H 15 5.549 5.549 4.762 0.787 18405 230 1 4 . 1 1 15 15 THR CA C 15 58.660 58.660 60.269 -1.609 18405 231 1 4 . 1 1 15 15 THR CB C 15 71.883 71.883 70.454 1.429 18405 232 1 4 . 1 1 15 15 THR H H 15 9.207 9.207 8.073 1.134 18405 233 1 4 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.419 0.114 18405 234 1 4 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.196 -2.696 18405 235 1 4 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.471 -0.485 18405 236 1 4 . 1 1 16 16 ALA H H 16 8.234 8.234 7.581 0.653 18405 237 1 4 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.968 -0.078 18405 238 1 4 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.057 -1.860 18405 239 1 4 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.398 -2.276 18405 240 1 4 . 1 1 17 17 TRP H H 17 8.374 8.374 8.273 0.101 18405 241 1 4 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.200 0.143 18405 242 1 4 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.622 -3.072 18405 243 1 4 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.039 -0.023 18405 244 1 4 . 1 1 18 18 ILE H H 18 7.112 7.112 8.041 -0.929 18405 245 1 4 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.727 0.118 18405 246 1 4 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.564 -5.974 18405 247 1 4 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.253 14.174 18405 248 1 4 . 1 1 19 19 CYS H H 19 8.517 8.517 8.802 -0.285 18405 249 1 5 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.673 0.186 18405 250 1 5 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.722 -1.295 18405 251 1 5 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.691 -1.496 18405 252 1 5 . 1 1 2 2 VAL H H 2 9.194 9.194 8.329 0.865 18405 253 1 5 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.037 -0.167 18405 254 1 5 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.467 -0.691 18405 255 1 5 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.718 -3.145 18405 256 1 5 . 1 1 3 3 TRP H H 3 8.721 8.721 8.422 0.299 18405 257 1 5 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.934 -0.283 18405 258 1 5 . 1 1 4 4 GLY H H 4 8.193 8.193 7.806 0.387 18405 259 1 5 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.761 -2.645 18405 260 1 5 . 1 1 5 5 GLY H H 5 8.646 8.646 7.170 1.476 18405 261 1 5 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.753 0.155 18405 262 1 5 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.327 -3.777 18405 263 1 5 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.112 -4.538 18405 264 1 5 . 1 1 6 6 ASP H H 6 8.237 8.237 8.454 -0.217 18405 265 1 5 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.109 -0.208 18405 266 1 5 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.312 -3.102 18405 267 1 5 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.369 13.531 18405 268 1 5 . 1 1 7 7 CYS H H 7 7.835 7.835 8.100 -0.265 18405 269 1 5 . 1 1 8 8 THR HA H 8 4.629 4.629 4.678 -0.049 18405 270 1 5 . 1 1 8 8 THR CA C 8 61.705 61.705 61.700 0.005 18405 271 1 5 . 1 1 8 8 THR CB C 8 68.438 68.438 71.863 -3.425 18405 272 1 5 . 1 1 8 8 THR H H 8 8.501 8.501 8.168 0.333 18405 273 1 5 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.449 0.163 18405 274 1 5 . 1 1 9 9 ASP CA C 9 52.970 52.970 53.899 -0.929 18405 275 1 5 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.547 -4.793 18405 276 1 5 . 1 1 9 9 ASP H H 9 7.887 7.887 8.218 -0.331 18405 277 1 5 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.676 -0.267 18405 278 1 5 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.244 -1.465 18405 279 1 5 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.222 -0.024 18405 280 1 5 . 1 1 10 10 PHE H H 10 8.541 8.541 8.065 0.476 18405 281 1 5 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.272 -0.308 18405 282 1 5 . 1 1 11 11 LEU CA C 11 55.490 55.490 56.045 -0.555 18405 283 1 5 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.702 -1.277 18405 284 1 5 . 1 1 11 11 LEU H H 11 8.530 8.530 8.580 -0.050 18405 285 1 5 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.020 -1.276 18405 286 1 5 . 1 1 12 12 GLY H H 12 9.002 9.002 8.989 0.013 18405 287 1 5 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.475 0.122 18405 288 1 5 . 1 1 13 13 CYS H H 13 8.628 8.628 8.060 0.568 18405 289 1 5 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.660 -0.786 18405 290 1 5 . 1 1 14 14 GLY H H 14 7.619 7.619 7.722 -0.103 18405 291 1 5 . 1 1 15 15 THR HA H 15 5.549 5.549 4.799 0.750 18405 292 1 5 . 1 1 15 15 THR CA C 15 58.660 58.660 59.956 -1.296 18405 293 1 5 . 1 1 15 15 THR CB C 15 71.883 71.883 70.549 1.334 18405 294 1 5 . 1 1 15 15 THR H H 15 9.207 9.207 7.978 1.229 18405 295 1 5 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.345 0.188 18405 296 1 5 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.142 -2.642 18405 297 1 5 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.035 -0.049 18405 298 1 5 . 1 1 16 16 ALA H H 16 8.234 8.234 7.557 0.677 18405 299 1 5 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.750 0.140 18405 300 1 5 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.841 -2.644 18405 301 1 5 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.013 -1.891 18405 302 1 5 . 1 1 17 17 TRP H H 17 8.374 8.374 8.166 0.208 18405 303 1 5 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.226 0.117 18405 304 1 5 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.212 -2.662 18405 305 1 5 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.013 0.004 18405 306 1 5 . 1 1 18 18 ILE H H 18 7.112 7.112 8.024 -0.912 18405 307 1 5 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.848 -0.003 18405 308 1 5 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.795 -5.205 18405 309 1 5 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.639 12.789 18405 310 1 5 . 1 1 19 19 CYS H H 19 8.517 8.517 8.562 -0.045 18405 311 1 6 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.562 0.297 18405 312 1 6 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.590 -1.163 18405 313 1 6 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.950 -1.755 18405 314 1 6 . 1 1 2 2 VAL H H 2 9.194 9.194 7.864 1.330 18405 315 1 6 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.129 -0.259 18405 316 1 6 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.856 -1.080 18405 317 1 6 . 1 1 3 3 TRP CB C 3 29.573 29.573 31.954 -2.381 18405 318 1 6 . 1 1 3 3 TRP H H 3 8.721 8.721 8.488 0.233 18405 319 1 6 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.760 -0.109 18405 320 1 6 . 1 1 4 4 GLY H H 4 8.193 8.193 8.085 0.108 18405 321 1 6 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.585 -2.469 18405 322 1 6 . 1 1 5 5 GLY H H 5 8.646 8.646 7.618 1.028 18405 323 1 6 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.746 0.162 18405 324 1 6 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.502 -3.952 18405 325 1 6 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.096 -4.522 18405 326 1 6 . 1 1 6 6 ASP H H 6 8.237 8.237 8.381 -0.144 18405 327 1 6 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.009 -0.108 18405 328 1 6 . 1 1 7 7 CYS CA C 7 53.210 53.210 57.785 -4.575 18405 329 1 6 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.487 13.413 18405 330 1 6 . 1 1 7 7 CYS H H 7 7.835 7.835 7.894 -0.059 18405 331 1 6 . 1 1 8 8 THR HA H 8 4.629 4.629 4.717 -0.088 18405 332 1 6 . 1 1 8 8 THR CA C 8 61.705 61.705 61.217 0.488 18405 333 1 6 . 1 1 8 8 THR CB C 8 68.438 68.438 71.596 -3.158 18405 334 1 6 . 1 1 8 8 THR H H 8 8.501 8.501 7.875 0.626 18405 335 1 6 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.565 0.047 18405 336 1 6 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.154 -1.184 18405 337 1 6 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.966 -5.212 18405 338 1 6 . 1 1 9 9 ASP H H 9 7.887 7.887 8.163 -0.276 18405 339 1 6 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.569 -0.160 18405 340 1 6 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.483 -1.704 18405 341 1 6 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.417 -0.219 18405 342 1 6 . 1 1 10 10 PHE H H 10 8.541 8.541 8.148 0.393 18405 343 1 6 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.481 -0.516 18405 344 1 6 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.449 0.041 18405 345 1 6 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.307 -1.882 18405 346 1 6 . 1 1 11 11 LEU H H 11 8.530 8.530 8.398 0.132 18405 347 1 6 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.002 -1.258 18405 348 1 6 . 1 1 12 12 GLY H H 12 9.002 9.002 8.821 0.181 18405 349 1 6 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.946 -0.349 18405 350 1 6 . 1 1 13 13 CYS H H 13 8.628 8.628 8.057 0.571 18405 351 1 6 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.607 -0.733 18405 352 1 6 . 1 1 14 14 GLY H H 14 7.619 7.619 7.649 -0.030 18405 353 1 6 . 1 1 15 15 THR HA H 15 5.549 5.549 4.759 0.790 18405 354 1 6 . 1 1 15 15 THR CA C 15 58.660 58.660 59.789 -1.129 18405 355 1 6 . 1 1 15 15 THR CB C 15 71.883 71.883 70.634 1.249 18405 356 1 6 . 1 1 15 15 THR H H 15 9.207 9.207 8.010 1.197 18405 357 1 6 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.216 0.317 18405 358 1 6 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.273 -2.773 18405 359 1 6 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.598 -0.612 18405 360 1 6 . 1 1 16 16 ALA H H 16 8.234 8.234 7.778 0.456 18405 361 1 6 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.777 0.114 18405 362 1 6 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.668 -2.471 18405 363 1 6 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.108 -1.986 18405 364 1 6 . 1 1 17 17 TRP H H 17 8.374 8.374 8.239 0.135 18405 365 1 6 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.080 0.263 18405 366 1 6 . 1 1 18 18 ILE CA C 18 58.550 58.550 60.970 -2.420 18405 367 1 6 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.910 0.107 18405 368 1 6 . 1 1 18 18 ILE H H 18 7.112 7.112 7.879 -0.767 18405 369 1 6 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.538 0.307 18405 370 1 6 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.438 -5.848 18405 371 1 6 . 1 1 19 19 CYS CB C 19 42.427 42.427 27.948 14.479 18405 372 1 6 . 1 1 19 19 CYS H H 19 8.517 8.517 8.492 0.025 18405 373 1 7 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.629 0.230 18405 374 1 7 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.763 -1.336 18405 375 1 7 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.750 -1.555 18405 376 1 7 . 1 1 2 2 VAL H H 2 9.194 9.194 8.315 0.879 18405 377 1 7 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.160 -0.290 18405 378 1 7 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.157 -0.381 18405 379 1 7 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.193 -3.620 18405 380 1 7 . 1 1 3 3 TRP H H 3 8.721 8.721 8.350 0.371 18405 381 1 7 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.922 -0.271 18405 382 1 7 . 1 1 4 4 GLY H H 4 8.193 8.193 7.776 0.417 18405 383 1 7 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.784 -2.668 18405 384 1 7 . 1 1 5 5 GLY H H 5 8.646 8.646 7.167 1.479 18405 385 1 7 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.687 0.221 18405 386 1 7 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.685 -3.135 18405 387 1 7 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.956 -4.382 18405 388 1 7 . 1 1 6 6 ASP H H 6 8.237 8.237 8.502 -0.265 18405 389 1 7 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.126 -0.225 18405 390 1 7 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.441 -3.231 18405 391 1 7 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.018 13.882 18405 392 1 7 . 1 1 7 7 CYS H H 7 7.835 7.835 7.835 0.000 18405 393 1 7 . 1 1 8 8 THR HA H 8 4.629 4.629 4.615 0.014 18405 394 1 7 . 1 1 8 8 THR CA C 8 61.705 61.705 61.532 0.173 18405 395 1 7 . 1 1 8 8 THR CB C 8 68.438 68.438 71.669 -3.232 18405 396 1 7 . 1 1 8 8 THR H H 8 8.501 8.501 8.073 0.428 18405 397 1 7 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.445 0.167 18405 398 1 7 . 1 1 9 9 ASP CA C 9 52.970 52.970 53.897 -0.927 18405 399 1 7 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.543 -4.789 18405 400 1 7 . 1 1 9 9 ASP H H 9 7.887 7.887 8.228 -0.341 18405 401 1 7 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.675 -0.266 18405 402 1 7 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.293 -1.514 18405 403 1 7 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.232 -0.034 18405 404 1 7 . 1 1 10 10 PHE H H 10 8.541 8.541 7.909 0.632 18405 405 1 7 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.372 -0.408 18405 406 1 7 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.694 -0.204 18405 407 1 7 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.952 -1.526 18405 408 1 7 . 1 1 11 11 LEU H H 11 8.530 8.530 8.524 0.006 18405 409 1 7 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.952 -1.208 18405 410 1 7 . 1 1 12 12 GLY H H 12 9.002 9.002 8.923 0.079 18405 411 1 7 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.468 0.129 18405 412 1 7 . 1 1 13 13 CYS H H 13 8.628 8.628 8.124 0.504 18405 413 1 7 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.549 -0.675 18405 414 1 7 . 1 1 14 14 GLY H H 14 7.619 7.619 7.662 -0.043 18405 415 1 7 . 1 1 15 15 THR HA H 15 5.549 5.549 4.793 0.756 18405 416 1 7 . 1 1 15 15 THR CA C 15 58.660 58.660 60.184 -1.524 18405 417 1 7 . 1 1 15 15 THR CB C 15 71.883 71.883 70.704 1.179 18405 418 1 7 . 1 1 15 15 THR H H 15 9.207 9.207 8.072 1.135 18405 419 1 7 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.358 0.175 18405 420 1 7 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.741 -2.241 18405 421 1 7 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.284 -0.298 18405 422 1 7 . 1 1 16 16 ALA H H 16 8.234 8.234 7.630 0.604 18405 423 1 7 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.730 0.160 18405 424 1 7 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.893 -2.696 18405 425 1 7 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.044 -1.922 18405 426 1 7 . 1 1 17 17 TRP H H 17 8.374 8.374 8.119 0.255 18405 427 1 7 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.233 0.110 18405 428 1 7 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.043 -2.493 18405 429 1 7 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.205 -0.188 18405 430 1 7 . 1 1 18 18 ILE H H 18 7.112 7.112 8.041 -0.929 18405 431 1 7 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.656 0.189 18405 432 1 7 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.870 -6.280 18405 433 1 7 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.487 13.940 18405 434 1 7 . 1 1 19 19 CYS H H 19 8.517 8.517 8.707 -0.190 18405 435 1 8 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.625 0.234 18405 436 1 8 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.639 -1.212 18405 437 1 8 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.662 -1.467 18405 438 1 8 . 1 1 2 2 VAL H H 2 9.194 9.194 7.992 1.202 18405 439 1 8 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.026 -0.156 18405 440 1 8 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.390 -0.614 18405 441 1 8 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.675 -3.102 18405 442 1 8 . 1 1 3 3 TRP H H 3 8.721 8.721 8.485 0.236 18405 443 1 8 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.980 -0.329 18405 444 1 8 . 1 1 4 4 GLY H H 4 8.193 8.193 7.811 0.382 18405 445 1 8 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.805 -2.689 18405 446 1 8 . 1 1 5 5 GLY H H 5 8.646 8.646 7.181 1.465 18405 447 1 8 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.757 0.151 18405 448 1 8 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.329 -3.779 18405 449 1 8 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.123 -4.550 18405 450 1 8 . 1 1 6 6 ASP H H 6 8.237 8.237 8.417 -0.180 18405 451 1 8 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.861 0.040 18405 452 1 8 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.276 -3.066 18405 453 1 8 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.182 13.718 18405 454 1 8 . 1 1 7 7 CYS H H 7 7.835 7.835 7.695 0.140 18405 455 1 8 . 1 1 8 8 THR HA H 8 4.629 4.629 4.864 -0.235 18405 456 1 8 . 1 1 8 8 THR CA C 8 61.705 61.705 61.074 0.631 18405 457 1 8 . 1 1 8 8 THR CB C 8 68.438 68.438 72.346 -3.908 18405 458 1 8 . 1 1 8 8 THR H H 8 8.501 8.501 7.887 0.614 18405 459 1 8 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.617 -0.005 18405 460 1 8 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.123 -1.153 18405 461 1 8 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.975 -5.221 18405 462 1 8 . 1 1 9 9 ASP H H 9 7.887 7.887 8.152 -0.265 18405 463 1 8 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.578 -0.169 18405 464 1 8 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.573 -1.794 18405 465 1 8 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.422 -0.224 18405 466 1 8 . 1 1 10 10 PHE H H 10 8.541 8.541 8.254 0.287 18405 467 1 8 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.418 -0.454 18405 468 1 8 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.609 -0.119 18405 469 1 8 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.227 -1.802 18405 470 1 8 . 1 1 11 11 LEU H H 11 8.530 8.530 8.475 0.055 18405 471 1 8 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.981 -1.237 18405 472 1 8 . 1 1 12 12 GLY H H 12 9.002 9.002 8.916 0.086 18405 473 1 8 . 1 1 13 13 CYS HA H 13 4.597 4.597 5.204 -0.607 18405 474 1 8 . 1 1 13 13 CYS H H 13 8.628 8.628 8.301 0.327 18405 475 1 8 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.874 -1.000 18405 476 1 8 . 1 1 14 14 GLY H H 14 7.619 7.619 7.909 -0.290 18405 477 1 8 . 1 1 15 15 THR HA H 15 5.549 5.549 4.790 0.759 18405 478 1 8 . 1 1 15 15 THR CA C 15 58.660 58.660 60.372 -1.712 18405 479 1 8 . 1 1 15 15 THR CB C 15 71.883 71.883 70.528 1.355 18405 480 1 8 . 1 1 15 15 THR H H 15 9.207 9.207 8.218 0.989 18405 481 1 8 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.340 0.193 18405 482 1 8 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.394 -2.894 18405 483 1 8 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.784 -0.798 18405 484 1 8 . 1 1 16 16 ALA H H 16 8.234 8.234 8.116 0.118 18405 485 1 8 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.693 0.197 18405 486 1 8 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.907 -2.710 18405 487 1 8 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.300 -2.178 18405 488 1 8 . 1 1 17 17 TRP H H 17 8.374 8.374 8.322 0.052 18405 489 1 8 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.127 0.216 18405 490 1 8 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.620 -3.070 18405 491 1 8 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.527 0.490 18405 492 1 8 . 1 1 18 18 ILE H H 18 7.112 7.112 7.886 -0.774 18405 493 1 8 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.693 0.152 18405 494 1 8 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.547 -5.957 18405 495 1 8 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.622 13.805 18405 496 1 8 . 1 1 19 19 CYS H H 19 8.517 8.517 8.583 -0.066 18405 497 1 9 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.639 0.220 18405 498 1 9 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.840 -1.413 18405 499 1 9 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.796 -1.601 18405 500 1 9 . 1 1 2 2 VAL H H 2 9.194 9.194 8.185 1.009 18405 501 1 9 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.052 -0.182 18405 502 1 9 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.239 -0.463 18405 503 1 9 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.828 -3.255 18405 504 1 9 . 1 1 3 3 TRP H H 3 8.721 8.721 8.466 0.255 18405 505 1 9 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.915 -0.264 18405 506 1 9 . 1 1 4 4 GLY H H 4 8.193 8.193 7.686 0.507 18405 507 1 9 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.653 -2.537 18405 508 1 9 . 1 1 5 5 GLY H H 5 8.646 8.646 7.260 1.386 18405 509 1 9 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.750 0.158 18405 510 1 9 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.340 -3.790 18405 511 1 9 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.113 -4.539 18405 512 1 9 . 1 1 6 6 ASP H H 6 8.237 8.237 8.464 -0.227 18405 513 1 9 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.126 -0.225 18405 514 1 9 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.296 -3.086 18405 515 1 9 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.308 13.592 18405 516 1 9 . 1 1 7 7 CYS H H 7 7.835 7.835 8.024 -0.189 18405 517 1 9 . 1 1 8 8 THR HA H 8 4.629 4.629 4.617 0.012 18405 518 1 9 . 1 1 8 8 THR CA C 8 61.705 61.705 61.575 0.130 18405 519 1 9 . 1 1 8 8 THR CB C 8 68.438 68.438 71.729 -3.291 18405 520 1 9 . 1 1 8 8 THR H H 8 8.501 8.501 8.084 0.417 18405 521 1 9 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.533 0.079 18405 522 1 9 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.045 -1.075 18405 523 1 9 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.746 -4.992 18405 524 1 9 . 1 1 9 9 ASP H H 9 7.887 7.887 8.298 -0.411 18405 525 1 9 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.598 -0.189 18405 526 1 9 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.401 -1.622 18405 527 1 9 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.504 -0.306 18405 528 1 9 . 1 1 10 10 PHE H H 10 8.541 8.541 8.155 0.386 18405 529 1 9 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.514 -0.550 18405 530 1 9 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.401 0.089 18405 531 1 9 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.289 -1.864 18405 532 1 9 . 1 1 11 11 LEU H H 11 8.530 8.530 8.409 0.121 18405 533 1 9 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.026 -1.282 18405 534 1 9 . 1 1 12 12 GLY H H 12 9.002 9.002 8.852 0.150 18405 535 1 9 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.934 -0.337 18405 536 1 9 . 1 1 13 13 CYS H H 13 8.628 8.628 8.102 0.526 18405 537 1 9 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.641 -0.767 18405 538 1 9 . 1 1 14 14 GLY H H 14 7.619 7.619 7.754 -0.135 18405 539 1 9 . 1 1 15 15 THR HA H 15 5.549 5.549 4.716 0.833 18405 540 1 9 . 1 1 15 15 THR CA C 15 58.660 58.660 60.251 -1.591 18405 541 1 9 . 1 1 15 15 THR CB C 15 71.883 71.883 70.457 1.426 18405 542 1 9 . 1 1 15 15 THR H H 15 9.207 9.207 8.063 1.144 18405 543 1 9 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.376 0.157 18405 544 1 9 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.862 -2.362 18405 545 1 9 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.411 -0.425 18405 546 1 9 . 1 1 16 16 ALA H H 16 8.234 8.234 7.559 0.675 18405 547 1 9 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.708 0.182 18405 548 1 9 . 1 1 17 17 TRP CA C 17 55.197 55.197 58.550 -3.353 18405 549 1 9 . 1 1 17 17 TRP CB C 17 28.122 28.122 29.921 -1.799 18405 550 1 9 . 1 1 17 17 TRP H H 17 8.374 8.374 8.160 0.214 18405 551 1 9 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.395 -0.052 18405 552 1 9 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.017 -2.467 18405 553 1 9 . 1 1 18 18 ILE CB C 18 38.017 38.017 39.363 -1.346 18405 554 1 9 . 1 1 18 18 ILE H H 18 7.112 7.112 7.931 -0.819 18405 555 1 9 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.685 0.160 18405 556 1 9 . 1 1 19 19 CYS CA C 19 52.590 52.590 59.123 -6.532 18405 557 1 9 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.646 13.781 18405 558 1 9 . 1 1 19 19 CYS H H 19 8.517 8.517 8.639 -0.122 18405 559 1 10 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.660 0.199 18405 560 1 10 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.920 -1.493 18405 561 1 10 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.714 -1.519 18405 562 1 10 . 1 1 2 2 VAL H H 2 9.194 9.194 8.437 0.757 18405 563 1 10 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.224 -0.354 18405 564 1 10 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.393 -0.617 18405 565 1 10 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.423 -3.850 18405 566 1 10 . 1 1 3 3 TRP H H 3 8.721 8.721 8.385 0.336 18405 567 1 10 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.903 -0.252 18405 568 1 10 . 1 1 4 4 GLY H H 4 8.193 8.193 7.783 0.410 18405 569 1 10 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.715 -2.599 18405 570 1 10 . 1 1 5 5 GLY H H 5 8.646 8.646 7.166 1.480 18405 571 1 10 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.686 0.222 18405 572 1 10 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.665 -3.115 18405 573 1 10 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.967 -4.393 18405 574 1 10 . 1 1 6 6 ASP H H 6 8.237 8.237 8.489 -0.252 18405 575 1 10 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.125 -0.224 18405 576 1 10 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.427 -3.217 18405 577 1 10 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.116 13.784 18405 578 1 10 . 1 1 7 7 CYS H H 7 7.835 7.835 7.926 -0.091 18405 579 1 10 . 1 1 8 8 THR HA H 8 4.629 4.629 4.677 -0.048 18405 580 1 10 . 1 1 8 8 THR CA C 8 61.705 61.705 61.652 0.053 18405 581 1 10 . 1 1 8 8 THR CB C 8 68.438 68.438 71.832 -3.394 18405 582 1 10 . 1 1 8 8 THR H H 8 8.501 8.501 8.143 0.358 18405 583 1 10 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.410 0.202 18405 584 1 10 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.064 -1.094 18405 585 1 10 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.468 -4.714 18405 586 1 10 . 1 1 9 9 ASP H H 9 7.887 7.887 8.139 -0.252 18405 587 1 10 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.637 -0.228 18405 588 1 10 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.370 -1.591 18405 589 1 10 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.249 -0.051 18405 590 1 10 . 1 1 10 10 PHE H H 10 8.541 8.541 8.027 0.514 18405 591 1 10 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.424 -0.460 18405 592 1 10 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.460 0.030 18405 593 1 10 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.375 -1.950 18405 594 1 10 . 1 1 11 11 LEU H H 11 8.530 8.530 8.578 -0.048 18405 595 1 10 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.885 -1.141 18405 596 1 10 . 1 1 12 12 GLY H H 12 9.002 9.002 8.943 0.059 18405 597 1 10 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.472 0.125 18405 598 1 10 . 1 1 13 13 CYS H H 13 8.628 8.628 8.120 0.508 18405 599 1 10 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.737 -0.863 18405 600 1 10 . 1 1 14 14 GLY H H 14 7.619 7.619 7.683 -0.064 18405 601 1 10 . 1 1 15 15 THR HA H 15 5.549 5.549 4.787 0.762 18405 602 1 10 . 1 1 15 15 THR CA C 15 58.660 58.660 59.850 -1.190 18405 603 1 10 . 1 1 15 15 THR CB C 15 71.883 71.883 70.596 1.287 18405 604 1 10 . 1 1 15 15 THR H H 15 9.207 9.207 8.004 1.203 18405 605 1 10 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.379 0.154 18405 606 1 10 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.913 -2.413 18405 607 1 10 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.167 -0.181 18405 608 1 10 . 1 1 16 16 ALA H H 16 8.234 8.234 7.440 0.794 18405 609 1 10 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.735 0.155 18405 610 1 10 . 1 1 17 17 TRP CA C 17 55.197 55.197 58.164 -2.967 18405 611 1 10 . 1 1 17 17 TRP CB C 17 28.122 28.122 29.840 -1.718 18405 612 1 10 . 1 1 17 17 TRP H H 17 8.374 8.374 8.059 0.315 18405 613 1 10 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.284 0.059 18405 614 1 10 . 1 1 18 18 ILE CA C 18 58.550 58.550 60.703 -2.153 18405 615 1 10 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.420 0.597 18405 616 1 10 . 1 1 18 18 ILE H H 18 7.112 7.112 8.094 -0.982 18405 617 1 10 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.635 0.210 18405 618 1 10 . 1 1 19 19 CYS CA C 19 52.590 52.590 59.124 -6.535 18405 619 1 10 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.609 13.818 18405 620 1 10 . 1 1 19 19 CYS H H 19 8.517 8.517 8.817 -0.300 18405 621 1 11 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.513 0.346 18405 622 1 11 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.284 -0.857 18405 623 1 11 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.549 -1.354 18405 624 1 11 . 1 1 2 2 VAL H H 2 9.194 9.194 8.098 1.096 18405 625 1 11 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.102 -0.232 18405 626 1 11 . 1 1 3 3 TRP CA C 3 55.776 55.776 57.190 -1.414 18405 627 1 11 . 1 1 3 3 TRP CB C 3 29.573 29.573 31.721 -2.148 18405 628 1 11 . 1 1 3 3 TRP H H 3 8.721 8.721 8.455 0.266 18405 629 1 11 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.585 0.066 18405 630 1 11 . 1 1 4 4 GLY H H 4 8.193 8.193 8.085 0.108 18405 631 1 11 . 1 1 5 5 GLY CA C 5 42.116 42.116 45.079 -2.963 18405 632 1 11 . 1 1 5 5 GLY H H 5 8.646 8.646 7.280 1.366 18405 633 1 11 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.868 0.040 18405 634 1 11 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.442 -2.892 18405 635 1 11 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.098 -4.524 18405 636 1 11 . 1 1 6 6 ASP H H 6 8.237 8.237 8.603 -0.366 18405 637 1 11 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.034 -0.133 18405 638 1 11 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.594 -3.384 18405 639 1 11 . 1 1 7 7 CYS CB C 7 43.900 43.900 28.586 15.314 18405 640 1 11 . 1 1 7 7 CYS H H 7 7.835 7.835 7.682 0.153 18405 641 1 11 . 1 1 8 8 THR HA H 8 4.629 4.629 4.731 -0.102 18405 642 1 11 . 1 1 8 8 THR CA C 8 61.705 61.705 61.639 0.066 18405 643 1 11 . 1 1 8 8 THR CB C 8 68.438 68.438 71.763 -3.325 18405 644 1 11 . 1 1 8 8 THR H H 8 8.501 8.501 7.979 0.522 18405 645 1 11 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.433 0.179 18405 646 1 11 . 1 1 9 9 ASP CA C 9 52.970 52.970 53.756 -0.786 18405 647 1 11 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.526 -4.772 18405 648 1 11 . 1 1 9 9 ASP H H 9 7.887 7.887 8.214 -0.327 18405 649 1 11 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.664 -0.255 18405 650 1 11 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.285 -1.506 18405 651 1 11 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.171 0.027 18405 652 1 11 . 1 1 10 10 PHE H H 10 8.541 8.541 8.076 0.465 18405 653 1 11 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.256 -0.292 18405 654 1 11 . 1 1 11 11 LEU CA C 11 55.490 55.490 56.034 -0.544 18405 655 1 11 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.684 -1.259 18405 656 1 11 . 1 1 11 11 LEU H H 11 8.530 8.530 8.570 -0.041 18405 657 1 11 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.002 -1.258 18405 658 1 11 . 1 1 12 12 GLY H H 12 9.002 9.002 8.971 0.031 18405 659 1 11 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.467 0.130 18405 660 1 11 . 1 1 13 13 CYS H H 13 8.628 8.628 8.037 0.591 18405 661 1 11 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.568 -0.694 18405 662 1 11 . 1 1 14 14 GLY H H 14 7.619 7.619 7.690 -0.071 18405 663 1 11 . 1 1 15 15 THR HA H 15 5.549 5.549 4.875 0.674 18405 664 1 11 . 1 1 15 15 THR CA C 15 58.660 58.660 59.920 -1.260 18405 665 1 11 . 1 1 15 15 THR CB C 15 71.883 71.883 70.621 1.262 18405 666 1 11 . 1 1 15 15 THR H H 15 9.207 9.207 7.898 1.309 18405 667 1 11 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.412 0.121 18405 668 1 11 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.252 -2.752 18405 669 1 11 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.130 -0.144 18405 670 1 11 . 1 1 16 16 ALA H H 16 8.234 8.234 7.569 0.665 18405 671 1 11 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.780 0.110 18405 672 1 11 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.569 -2.372 18405 673 1 11 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.452 -2.330 18405 674 1 11 . 1 1 17 17 TRP H H 17 8.374 8.374 8.237 0.137 18405 675 1 11 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.200 0.143 18405 676 1 11 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.584 -3.034 18405 677 1 11 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.938 0.079 18405 678 1 11 . 1 1 18 18 ILE H H 18 7.112 7.112 8.051 -0.939 18405 679 1 11 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.699 0.146 18405 680 1 11 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.776 -6.186 18405 681 1 11 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.161 14.266 18405 682 1 11 . 1 1 19 19 CYS H H 19 8.517 8.517 8.688 -0.171 18405 683 1 12 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.371 0.488 18405 684 1 12 . 1 1 2 2 VAL CA C 2 58.427 58.427 61.139 -2.712 18405 685 1 12 . 1 1 2 2 VAL CB C 2 32.195 32.195 32.358 -0.164 18405 686 1 12 . 1 1 2 2 VAL H H 2 9.194 9.194 7.488 1.706 18405 687 1 12 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.214 -0.344 18405 688 1 12 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.024 -0.248 18405 689 1 12 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.384 -3.811 18405 690 1 12 . 1 1 3 3 TRP H H 3 8.721 8.721 8.210 0.511 18405 691 1 12 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.925 -0.274 18405 692 1 12 . 1 1 4 4 GLY H H 4 8.193 8.193 7.729 0.464 18405 693 1 12 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.679 -2.563 18405 694 1 12 . 1 1 5 5 GLY H H 5 8.646 8.646 7.164 1.482 18405 695 1 12 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.722 0.186 18405 696 1 12 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.408 -2.858 18405 697 1 12 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.030 -4.456 18405 698 1 12 . 1 1 6 6 ASP H H 6 8.237 8.237 8.531 -0.294 18405 699 1 12 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.876 0.025 18405 700 1 12 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.217 -3.007 18405 701 1 12 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.992 13.908 18405 702 1 12 . 1 1 7 7 CYS H H 7 7.835 7.835 7.536 0.299 18405 703 1 12 . 1 1 8 8 THR HA H 8 4.629 4.629 4.816 -0.187 18405 704 1 12 . 1 1 8 8 THR CA C 8 61.705 61.705 61.205 0.500 18405 705 1 12 . 1 1 8 8 THR CB C 8 68.438 68.438 72.408 -3.970 18405 706 1 12 . 1 1 8 8 THR H H 8 8.501 8.501 7.958 0.543 18405 707 1 12 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.593 0.019 18405 708 1 12 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.035 -1.065 18405 709 1 12 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.987 -5.234 18405 710 1 12 . 1 1 9 9 ASP H H 9 7.887 7.887 8.102 -0.215 18405 711 1 12 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.647 -0.238 18405 712 1 12 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.473 -1.694 18405 713 1 12 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.501 -0.303 18405 714 1 12 . 1 1 10 10 PHE H H 10 8.541 8.541 8.169 0.372 18405 715 1 12 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.265 -0.301 18405 716 1 12 . 1 1 11 11 LEU CA C 11 55.490 55.490 56.031 -0.541 18405 717 1 12 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.643 -1.218 18405 718 1 12 . 1 1 11 11 LEU H H 11 8.530 8.530 8.585 -0.055 18405 719 1 12 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.153 -1.409 18405 720 1 12 . 1 1 12 12 GLY H H 12 9.002 9.002 8.901 0.101 18405 721 1 12 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.993 -0.396 18405 722 1 12 . 1 1 13 13 CYS H H 13 8.628 8.628 8.063 0.565 18405 723 1 12 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.614 -0.740 18405 724 1 12 . 1 1 14 14 GLY H H 14 7.619 7.619 7.796 -0.177 18405 725 1 12 . 1 1 15 15 THR HA H 15 5.549 5.549 4.751 0.798 18405 726 1 12 . 1 1 15 15 THR CA C 15 58.660 58.660 60.346 -1.687 18405 727 1 12 . 1 1 15 15 THR CB C 15 71.883 71.883 70.647 1.236 18405 728 1 12 . 1 1 15 15 THR H H 15 9.207 9.207 8.095 1.112 18405 729 1 12 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.263 0.270 18405 730 1 12 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.950 -2.450 18405 731 1 12 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.854 -0.868 18405 732 1 12 . 1 1 16 16 ALA H H 16 8.234 8.234 7.772 0.462 18405 733 1 12 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.745 0.145 18405 734 1 12 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.685 -2.488 18405 735 1 12 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.332 -2.210 18405 736 1 12 . 1 1 17 17 TRP H H 17 8.374 8.374 8.184 0.190 18405 737 1 12 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.254 0.089 18405 738 1 12 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.347 -2.797 18405 739 1 12 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.610 0.407 18405 740 1 12 . 1 1 18 18 ILE H H 18 7.112 7.112 7.989 -0.877 18405 741 1 12 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.830 0.015 18405 742 1 12 . 1 1 19 19 CYS CA C 19 52.590 52.590 56.588 -3.998 18405 743 1 12 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.683 13.744 18405 744 1 12 . 1 1 19 19 CYS H H 19 8.517 8.517 8.358 0.159 18405 745 1 13 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.602 0.257 18405 746 1 13 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.653 -1.226 18405 747 1 13 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.581 -1.386 18405 748 1 13 . 1 1 2 2 VAL H H 2 9.194 9.194 7.991 1.203 18405 749 1 13 . 1 1 3 3 TRP HA H 3 4.870 4.870 4.984 -0.114 18405 750 1 13 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.646 -0.870 18405 751 1 13 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.948 -3.375 18405 752 1 13 . 1 1 3 3 TRP H H 3 8.721 8.721 8.447 0.274 18405 753 1 13 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.117 -0.466 18405 754 1 13 . 1 1 4 4 GLY H H 4 8.193 8.193 8.008 0.185 18405 755 1 13 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.740 -2.624 18405 756 1 13 . 1 1 5 5 GLY H H 5 8.646 8.646 7.534 1.112 18405 757 1 13 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.737 0.171 18405 758 1 13 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.520 -3.970 18405 759 1 13 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.110 -4.536 18405 760 1 13 . 1 1 6 6 ASP H H 6 8.237 8.237 8.336 -0.099 18405 761 1 13 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.817 0.084 18405 762 1 13 . 1 1 7 7 CYS CA C 7 53.210 53.210 57.294 -4.084 18405 763 1 13 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.504 13.396 18405 764 1 13 . 1 1 7 7 CYS H H 7 7.835 7.835 7.838 -0.003 18405 765 1 13 . 1 1 8 8 THR HA H 8 4.629 4.629 4.869 -0.240 18405 766 1 13 . 1 1 8 8 THR CA C 8 61.705 61.705 61.490 0.214 18405 767 1 13 . 1 1 8 8 THR CB C 8 68.438 68.438 72.644 -4.206 18405 768 1 13 . 1 1 8 8 THR H H 8 8.501 8.501 8.101 0.400 18405 769 1 13 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.544 0.068 18405 770 1 13 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.191 -1.221 18405 771 1 13 . 1 1 9 9 ASP CB C 9 35.754 35.754 41.032 -5.278 18405 772 1 13 . 1 1 9 9 ASP H H 9 7.887 7.887 8.161 -0.274 18405 773 1 13 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.579 -0.170 18405 774 1 13 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.471 -1.692 18405 775 1 13 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.368 -0.170 18405 776 1 13 . 1 1 10 10 PHE H H 10 8.541 8.541 8.178 0.363 18405 777 1 13 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.494 -0.530 18405 778 1 13 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.477 0.013 18405 779 1 13 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.324 -1.899 18405 780 1 13 . 1 1 11 11 LEU H H 11 8.530 8.530 8.404 0.126 18405 781 1 13 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.016 -1.272 18405 782 1 13 . 1 1 12 12 GLY H H 12 9.002 9.002 8.846 0.156 18405 783 1 13 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.954 -0.357 18405 784 1 13 . 1 1 13 13 CYS H H 13 8.628 8.628 8.076 0.552 18405 785 1 13 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.561 -0.687 18405 786 1 13 . 1 1 14 14 GLY H H 14 7.619 7.619 7.705 -0.086 18405 787 1 13 . 1 1 15 15 THR HA H 15 5.549 5.549 4.759 0.790 18405 788 1 13 . 1 1 15 15 THR CA C 15 58.660 58.660 60.173 -1.513 18405 789 1 13 . 1 1 15 15 THR CB C 15 71.883 71.883 70.596 1.287 18405 790 1 13 . 1 1 15 15 THR H H 15 9.207 9.207 8.187 1.020 18405 791 1 13 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.361 0.172 18405 792 1 13 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.860 -2.360 18405 793 1 13 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.453 -0.467 18405 794 1 13 . 1 1 16 16 ALA H H 16 8.234 8.234 7.860 0.374 18405 795 1 13 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.749 0.141 18405 796 1 13 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.540 -2.343 18405 797 1 13 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.151 -2.030 18405 798 1 13 . 1 1 17 17 TRP H H 17 8.374 8.374 8.335 0.039 18405 799 1 13 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.128 0.215 18405 800 1 13 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.794 -3.244 18405 801 1 13 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.317 0.700 18405 802 1 13 . 1 1 18 18 ILE H H 18 7.112 7.112 7.862 -0.750 18405 803 1 13 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.610 0.235 18405 804 1 13 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.743 -6.153 18405 805 1 13 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.141 13.286 18405 806 1 13 . 1 1 19 19 CYS H H 19 8.517 8.517 8.727 -0.210 18405 807 1 14 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.629 0.230 18405 808 1 14 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.760 -1.333 18405 809 1 14 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.608 -1.413 18405 810 1 14 . 1 1 2 2 VAL H H 2 9.194 9.194 8.123 1.071 18405 811 1 14 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.006 -0.136 18405 812 1 14 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.730 -0.954 18405 813 1 14 . 1 1 3 3 TRP CB C 3 29.573 29.573 33.243 -3.671 18405 814 1 14 . 1 1 3 3 TRP H H 3 8.721 8.721 8.448 0.273 18405 815 1 14 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.095 -0.444 18405 816 1 14 . 1 1 4 4 GLY H H 4 8.193 8.193 7.948 0.245 18405 817 1 14 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.793 -2.677 18405 818 1 14 . 1 1 5 5 GLY H H 5 8.646 8.646 7.540 1.106 18405 819 1 14 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.746 0.162 18405 820 1 14 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.013 -3.463 18405 821 1 14 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.917 -4.343 18405 822 1 14 . 1 1 6 6 ASP H H 6 8.237 8.237 8.662 -0.425 18405 823 1 14 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.945 -0.044 18405 824 1 14 . 1 1 7 7 CYS CA C 7 53.210 53.210 57.664 -4.454 18405 825 1 14 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.476 14.424 18405 826 1 14 . 1 1 7 7 CYS H H 7 7.835 7.835 7.733 0.102 18405 827 1 14 . 1 1 8 8 THR HA H 8 4.629 4.629 4.681 -0.052 18405 828 1 14 . 1 1 8 8 THR CA C 8 61.705 61.705 61.468 0.237 18405 829 1 14 . 1 1 8 8 THR CB C 8 68.438 68.438 71.476 -3.038 18405 830 1 14 . 1 1 8 8 THR H H 8 8.501 8.501 7.989 0.512 18405 831 1 14 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.515 0.097 18405 832 1 14 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.067 -1.097 18405 833 1 14 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.720 -4.966 18405 834 1 14 . 1 1 9 9 ASP H H 9 7.887 7.887 8.300 -0.413 18405 835 1 14 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.590 -0.181 18405 836 1 14 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.428 -1.649 18405 837 1 14 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.445 -0.247 18405 838 1 14 . 1 1 10 10 PHE H H 10 8.541 8.541 8.164 0.377 18405 839 1 14 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.502 -0.538 18405 840 1 14 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.448 0.042 18405 841 1 14 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.306 -1.881 18405 842 1 14 . 1 1 11 11 LEU H H 11 8.530 8.530 8.408 0.122 18405 843 1 14 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.020 -1.276 18405 844 1 14 . 1 1 12 12 GLY H H 12 9.002 9.002 8.847 0.155 18405 845 1 14 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.938 -0.341 18405 846 1 14 . 1 1 13 13 CYS H H 13 8.628 8.628 8.091 0.537 18405 847 1 14 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.552 -0.678 18405 848 1 14 . 1 1 14 14 GLY H H 14 7.619 7.619 7.699 -0.080 18405 849 1 14 . 1 1 15 15 THR HA H 15 5.549 5.549 4.738 0.811 18405 850 1 14 . 1 1 15 15 THR CA C 15 58.660 58.660 60.189 -1.529 18405 851 1 14 . 1 1 15 15 THR CB C 15 71.883 71.883 70.602 1.281 18405 852 1 14 . 1 1 15 15 THR H H 15 9.207 9.207 8.159 1.048 18405 853 1 14 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.312 0.221 18405 854 1 14 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.881 -2.381 18405 855 1 14 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.415 -0.429 18405 856 1 14 . 1 1 16 16 ALA H H 16 8.234 8.234 7.617 0.617 18405 857 1 14 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.686 0.204 18405 858 1 14 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.911 -2.714 18405 859 1 14 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.229 -2.107 18405 860 1 14 . 1 1 17 17 TRP H H 17 8.374 8.374 8.257 0.117 18405 861 1 14 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.184 0.159 18405 862 1 14 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.578 -3.028 18405 863 1 14 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.084 0.933 18405 864 1 14 . 1 1 18 18 ILE H H 18 7.112 7.112 7.906 -0.794 18405 865 1 14 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.799 0.046 18405 866 1 14 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.055 -4.465 18405 867 1 14 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.637 13.790 18405 868 1 14 . 1 1 19 19 CYS H H 19 8.517 8.517 8.458 0.059 18405 869 1 15 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.595 0.264 18405 870 1 15 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.734 -1.307 18405 871 1 15 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.593 -1.399 18405 872 1 15 . 1 1 2 2 VAL H H 2 9.194 9.194 8.085 1.109 18405 873 1 15 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.033 -0.163 18405 874 1 15 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.584 -0.808 18405 875 1 15 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.992 -3.420 18405 876 1 15 . 1 1 3 3 TRP H H 3 8.721 8.721 8.452 0.269 18405 877 1 15 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.958 -0.307 18405 878 1 15 . 1 1 4 4 GLY H H 4 8.193 8.193 7.760 0.433 18405 879 1 15 . 1 1 5 5 GLY CA C 5 42.116 42.116 45.093 -2.977 18405 880 1 15 . 1 1 5 5 GLY H H 5 8.646 8.646 7.148 1.498 18405 881 1 15 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.707 0.202 18405 882 1 15 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.521 -2.971 18405 883 1 15 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.898 -4.324 18405 884 1 15 . 1 1 6 6 ASP H H 6 8.237 8.237 8.657 -0.420 18405 885 1 15 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.053 -0.152 18405 886 1 15 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.549 -3.339 18405 887 1 15 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.899 14.001 18405 888 1 15 . 1 1 7 7 CYS H H 7 7.835 7.835 7.777 0.058 18405 889 1 15 . 1 1 8 8 THR HA H 8 4.629 4.629 4.589 0.040 18405 890 1 15 . 1 1 8 8 THR CA C 8 61.705 61.705 61.798 -0.093 18405 891 1 15 . 1 1 8 8 THR CB C 8 68.438 68.438 71.751 -3.313 18405 892 1 15 . 1 1 8 8 THR H H 8 8.501 8.501 8.006 0.495 18405 893 1 15 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.519 0.093 18405 894 1 15 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.105 -1.135 18405 895 1 15 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.725 -4.971 18405 896 1 15 . 1 1 9 9 ASP H H 9 7.887 7.887 8.287 -0.400 18405 897 1 15 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.625 -0.216 18405 898 1 15 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.567 -1.788 18405 899 1 15 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.483 -0.285 18405 900 1 15 . 1 1 10 10 PHE H H 10 8.541 8.541 8.128 0.413 18405 901 1 15 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.385 -0.421 18405 902 1 15 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.664 -0.174 18405 903 1 15 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.992 -1.567 18405 904 1 15 . 1 1 11 11 LEU H H 11 8.530 8.530 8.515 0.015 18405 905 1 15 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.099 -1.355 18405 906 1 15 . 1 1 12 12 GLY H H 12 9.002 9.002 8.805 0.197 18405 907 1 15 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.942 -0.345 18405 908 1 15 . 1 1 13 13 CYS H H 13 8.628 8.628 8.084 0.544 18405 909 1 15 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.551 -0.677 18405 910 1 15 . 1 1 14 14 GLY H H 14 7.619 7.619 7.696 -0.077 18405 911 1 15 . 1 1 15 15 THR HA H 15 5.549 5.549 4.808 0.741 18405 912 1 15 . 1 1 15 15 THR CA C 15 58.660 58.660 60.396 -1.736 18405 913 1 15 . 1 1 15 15 THR CB C 15 71.883 71.883 70.652 1.231 18405 914 1 15 . 1 1 15 15 THR H H 15 9.207 9.207 8.112 1.095 18405 915 1 15 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.415 0.118 18405 916 1 15 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.942 -2.442 18405 917 1 15 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.229 -0.243 18405 918 1 15 . 1 1 16 16 ALA H H 16 8.234 8.234 7.728 0.506 18405 919 1 15 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.692 0.198 18405 920 1 15 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.424 -2.227 18405 921 1 15 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.241 -2.119 18405 922 1 15 . 1 1 17 17 TRP H H 17 8.374 8.374 8.213 0.161 18405 923 1 15 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.194 0.149 18405 924 1 15 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.387 -2.837 18405 925 1 15 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.747 -0.730 18405 926 1 15 . 1 1 18 18 ILE H H 18 7.112 7.112 8.109 -0.997 18405 927 1 15 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.648 0.197 18405 928 1 15 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.477 -5.887 18405 929 1 15 . 1 1 19 19 CYS CB C 19 42.427 42.427 27.665 14.762 18405 930 1 15 . 1 1 19 19 CYS H H 19 8.517 8.517 8.540 -0.023 18405 931 1 16 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.603 0.256 18405 932 1 16 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.663 -1.236 18405 933 1 16 . 1 1 2 2 VAL CB C 2 32.195 32.195 34.029 -1.834 18405 934 1 16 . 1 1 2 2 VAL H H 2 9.194 9.194 8.097 1.097 18405 935 1 16 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.164 -0.294 18405 936 1 16 . 1 1 3 3 TRP CA C 3 55.776 55.776 57.151 -1.375 18405 937 1 16 . 1 1 3 3 TRP CB C 3 29.573 29.573 31.925 -2.352 18405 938 1 16 . 1 1 3 3 TRP H H 3 8.721 8.721 8.569 0.152 18405 939 1 16 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.604 0.047 18405 940 1 16 . 1 1 4 4 GLY H H 4 8.193 8.193 8.003 0.190 18405 941 1 16 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.792 -2.676 18405 942 1 16 . 1 1 5 5 GLY H H 5 8.646 8.646 7.268 1.378 18405 943 1 16 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.770 0.138 18405 944 1 16 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.363 -3.813 18405 945 1 16 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.119 -4.545 18405 946 1 16 . 1 1 6 6 ASP H H 6 8.237 8.237 8.460 -0.223 18405 947 1 16 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.113 -0.212 18405 948 1 16 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.353 -3.143 18405 949 1 16 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.322 13.578 18405 950 1 16 . 1 1 7 7 CYS H H 7 7.835 7.835 8.137 -0.302 18405 951 1 16 . 1 1 8 8 THR HA H 8 4.629 4.629 4.689 -0.060 18405 952 1 16 . 1 1 8 8 THR CA C 8 61.705 61.705 61.662 0.043 18405 953 1 16 . 1 1 8 8 THR CB C 8 68.438 68.438 71.880 -3.442 18405 954 1 16 . 1 1 8 8 THR H H 8 8.501 8.501 8.150 0.351 18405 955 1 16 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.502 0.110 18405 956 1 16 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.173 -1.203 18405 957 1 16 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.746 -4.992 18405 958 1 16 . 1 1 9 9 ASP H H 9 7.887 7.887 8.277 -0.390 18405 959 1 16 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.584 -0.175 18405 960 1 16 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.404 -1.625 18405 961 1 16 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.462 -0.264 18405 962 1 16 . 1 1 10 10 PHE H H 10 8.541 8.541 8.144 0.397 18405 963 1 16 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.487 -0.523 18405 964 1 16 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.427 0.063 18405 965 1 16 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.294 -1.869 18405 966 1 16 . 1 1 11 11 LEU H H 11 8.530 8.530 8.400 0.130 18405 967 1 16 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.005 -1.261 18405 968 1 16 . 1 1 12 12 GLY H H 12 9.002 9.002 8.827 0.175 18405 969 1 16 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.936 -0.339 18405 970 1 16 . 1 1 13 13 CYS H H 13 8.628 8.628 8.070 0.558 18405 971 1 16 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.462 -0.588 18405 972 1 16 . 1 1 14 14 GLY H H 14 7.619 7.619 7.656 -0.037 18405 973 1 16 . 1 1 15 15 THR HA H 15 5.549 5.549 4.791 0.758 18405 974 1 16 . 1 1 15 15 THR CA C 15 58.660 58.660 60.355 -1.695 18405 975 1 16 . 1 1 15 15 THR CB C 15 71.883 71.883 70.733 1.150 18405 976 1 16 . 1 1 15 15 THR H H 15 9.207 9.207 8.068 1.139 18405 977 1 16 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.311 0.222 18405 978 1 16 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.836 -2.336 18405 979 1 16 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.197 -0.211 18405 980 1 16 . 1 1 16 16 ALA H H 16 8.234 8.234 7.696 0.538 18405 981 1 16 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.778 0.112 18405 982 1 16 . 1 1 17 17 TRP CA C 17 55.197 55.197 58.185 -2.989 18405 983 1 16 . 1 1 17 17 TRP CB C 17 28.122 28.122 29.956 -1.834 18405 984 1 16 . 1 1 17 17 TRP H H 17 8.374 8.374 8.091 0.283 18405 985 1 16 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.316 0.027 18405 986 1 16 . 1 1 18 18 ILE CA C 18 58.550 58.550 60.533 -1.983 18405 987 1 16 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.246 0.771 18405 988 1 16 . 1 1 18 18 ILE H H 18 7.112 7.112 7.983 -0.871 18405 989 1 16 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.816 0.029 18405 990 1 16 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.734 -5.144 18405 991 1 16 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.904 12.523 18405 992 1 16 . 1 1 19 19 CYS H H 19 8.517 8.517 8.513 0.004 18405 993 1 17 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.605 0.254 18405 994 1 17 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.637 -1.210 18405 995 1 17 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.465 -1.270 18405 996 1 17 . 1 1 2 2 VAL H H 2 9.194 9.194 8.122 1.072 18405 997 1 17 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.035 -0.165 18405 998 1 17 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.392 -0.617 18405 999 1 17 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.750 -3.177 18405 1000 1 17 . 1 1 3 3 TRP H H 3 8.721 8.721 8.431 0.290 18405 1001 1 17 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.952 -0.301 18405 1002 1 17 . 1 1 4 4 GLY H H 4 8.193 8.193 7.852 0.341 18405 1003 1 17 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.895 -2.780 18405 1004 1 17 . 1 1 5 5 GLY H H 5 8.646 8.646 7.148 1.498 18405 1005 1 17 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.695 0.213 18405 1006 1 17 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.787 -3.237 18405 1007 1 17 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.946 -4.372 18405 1008 1 17 . 1 1 6 6 ASP H H 6 8.237 8.237 8.520 -0.283 18405 1009 1 17 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.898 0.003 18405 1010 1 17 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.393 -3.183 18405 1011 1 17 . 1 1 7 7 CYS CB C 7 43.900 43.900 30.030 13.870 18405 1012 1 17 . 1 1 7 7 CYS H H 7 7.835 7.835 7.657 0.178 18405 1013 1 17 . 1 1 8 8 THR HA H 8 4.629 4.629 4.915 -0.286 18405 1014 1 17 . 1 1 8 8 THR CA C 8 61.705 61.705 61.681 0.025 18405 1015 1 17 . 1 1 8 8 THR CB C 8 68.438 68.438 72.767 -4.329 18405 1016 1 17 . 1 1 8 8 THR H H 8 8.501 8.501 8.017 0.484 18405 1017 1 17 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.657 -0.045 18405 1018 1 17 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.052 -1.082 18405 1019 1 17 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.949 -5.195 18405 1020 1 17 . 1 1 9 9 ASP H H 9 7.887 7.887 8.181 -0.294 18405 1021 1 17 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.608 -0.199 18405 1022 1 17 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.153 -1.374 18405 1023 1 17 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.169 0.030 18405 1024 1 17 . 1 1 10 10 PHE H H 10 8.541 8.541 8.125 0.416 18405 1025 1 17 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.186 -0.222 18405 1026 1 17 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.096 0.394 18405 1027 1 17 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.313 -0.888 18405 1028 1 17 . 1 1 11 11 LEU H H 11 8.530 8.530 7.525 1.005 18405 1029 1 17 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.062 -1.319 18405 1030 1 17 . 1 1 12 12 GLY H H 12 9.002 9.002 8.783 0.219 18405 1031 1 17 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.686 -0.089 18405 1032 1 17 . 1 1 13 13 CYS H H 13 8.628 8.628 8.283 0.345 18405 1033 1 17 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.921 -1.047 18405 1034 1 17 . 1 1 14 14 GLY H H 14 7.619 7.619 7.945 -0.326 18405 1035 1 17 . 1 1 15 15 THR HA H 15 5.549 5.549 4.842 0.707 18405 1036 1 17 . 1 1 15 15 THR CA C 15 58.660 58.660 59.827 -1.167 18405 1037 1 17 . 1 1 15 15 THR CB C 15 71.883 71.883 70.687 1.196 18405 1038 1 17 . 1 1 15 15 THR H H 15 9.207 9.207 8.024 1.183 18405 1039 1 17 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.332 0.201 18405 1040 1 17 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.396 -2.896 18405 1041 1 17 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.511 -0.525 18405 1042 1 17 . 1 1 16 16 ALA H H 16 8.234 8.234 8.000 0.234 18405 1043 1 17 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.707 0.183 18405 1044 1 17 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.841 -2.644 18405 1045 1 17 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.282 -2.160 18405 1046 1 17 . 1 1 17 17 TRP H H 17 8.374 8.374 8.335 0.039 18405 1047 1 17 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.171 0.172 18405 1048 1 17 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.424 -2.874 18405 1049 1 17 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.434 0.583 18405 1050 1 17 . 1 1 18 18 ILE H H 18 7.112 7.112 7.797 -0.685 18405 1051 1 17 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.822 0.023 18405 1052 1 17 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.264 -4.674 18405 1053 1 17 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.150 13.277 18405 1054 1 17 . 1 1 19 19 CYS H H 19 8.517 8.517 8.524 -0.007 18405 1055 1 18 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.532 0.327 18405 1056 1 18 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.694 -1.267 18405 1057 1 18 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.456 -1.261 18405 1058 1 18 . 1 1 2 2 VAL H H 2 9.194 9.194 7.997 1.197 18405 1059 1 18 . 1 1 3 3 TRP HA H 3 4.870 4.870 4.949 -0.079 18405 1060 1 18 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.478 -0.702 18405 1061 1 18 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.938 -3.365 18405 1062 1 18 . 1 1 3 3 TRP H H 3 8.721 8.721 8.334 0.387 18405 1063 1 18 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.089 -0.438 18405 1064 1 18 . 1 1 4 4 GLY H H 4 8.193 8.193 7.978 0.215 18405 1065 1 18 . 1 1 5 5 GLY CA C 5 42.116 42.116 45.080 -2.964 18405 1066 1 18 . 1 1 5 5 GLY H H 5 8.646 8.646 7.526 1.120 18405 1067 1 18 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.709 0.199 18405 1068 1 18 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.482 -2.932 18405 1069 1 18 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.875 -4.301 18405 1070 1 18 . 1 1 6 6 ASP H H 6 8.237 8.237 8.690 -0.453 18405 1071 1 18 . 1 1 7 7 CYS HA H 7 4.901 4.901 5.060 -0.159 18405 1072 1 18 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.524 -3.314 18405 1073 1 18 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.800 14.100 18405 1074 1 18 . 1 1 7 7 CYS H H 7 7.835 7.835 7.746 0.089 18405 1075 1 18 . 1 1 8 8 THR HA H 8 4.629 4.629 4.485 0.144 18405 1076 1 18 . 1 1 8 8 THR CA C 8 61.705 61.705 61.503 0.202 18405 1077 1 18 . 1 1 8 8 THR CB C 8 68.438 68.438 71.517 -3.079 18405 1078 1 18 . 1 1 8 8 THR H H 8 8.501 8.501 8.000 0.501 18405 1079 1 18 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.569 0.043 18405 1080 1 18 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.216 -1.246 18405 1081 1 18 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.964 -5.210 18405 1082 1 18 . 1 1 9 9 ASP H H 9 7.887 7.887 8.077 -0.190 18405 1083 1 18 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.600 -0.191 18405 1084 1 18 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.411 -1.632 18405 1085 1 18 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.473 -0.275 18405 1086 1 18 . 1 1 10 10 PHE H H 10 8.541 8.541 8.155 0.386 18405 1087 1 18 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.512 -0.548 18405 1088 1 18 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.409 0.081 18405 1089 1 18 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.288 -1.863 18405 1090 1 18 . 1 1 11 11 LEU H H 11 8.530 8.530 8.411 0.119 18405 1091 1 18 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.027 -1.283 18405 1092 1 18 . 1 1 12 12 GLY H H 12 9.002 9.002 8.854 0.148 18405 1093 1 18 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.934 -0.337 18405 1094 1 18 . 1 1 13 13 CYS H H 13 8.628 8.628 8.103 0.525 18405 1095 1 18 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.560 -0.686 18405 1096 1 18 . 1 1 14 14 GLY H H 14 7.619 7.619 7.707 -0.088 18405 1097 1 18 . 1 1 15 15 THR HA H 15 5.549 5.549 4.800 0.749 18405 1098 1 18 . 1 1 15 15 THR CA C 15 58.660 58.660 60.397 -1.737 18405 1099 1 18 . 1 1 15 15 THR CB C 15 71.883 71.883 70.674 1.209 18405 1100 1 18 . 1 1 15 15 THR H H 15 9.207 9.207 8.102 1.105 18405 1101 1 18 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.422 0.111 18405 1102 1 18 . 1 1 16 16 ALA CA C 16 48.500 48.500 50.951 -2.451 18405 1103 1 18 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.234 -0.248 18405 1104 1 18 . 1 1 16 16 ALA H H 16 8.234 8.234 7.731 0.503 18405 1105 1 18 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.785 0.105 18405 1106 1 18 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.497 -2.300 18405 1107 1 18 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.441 -2.319 18405 1108 1 18 . 1 1 17 17 TRP H H 17 8.374 8.374 8.251 0.123 18405 1109 1 18 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.235 0.108 18405 1110 1 18 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.431 -2.881 18405 1111 1 18 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.506 0.511 18405 1112 1 18 . 1 1 18 18 ILE H H 18 7.112 7.112 8.001 -0.889 18405 1113 1 18 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.837 0.008 18405 1114 1 18 . 1 1 19 19 CYS CA C 19 52.590 52.590 56.510 -3.920 18405 1115 1 18 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.952 13.475 18405 1116 1 18 . 1 1 19 19 CYS H H 19 8.517 8.517 8.331 0.186 18405 1117 1 19 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.610 0.249 18405 1118 1 19 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.745 -1.318 18405 1119 1 19 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.620 -1.425 18405 1120 1 19 . 1 1 2 2 VAL H H 2 9.194 9.194 7.963 1.231 18405 1121 1 19 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.047 -0.177 18405 1122 1 19 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.569 -0.793 18405 1123 1 19 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.955 -3.382 18405 1124 1 19 . 1 1 3 3 TRP H H 3 8.721 8.721 8.516 0.205 18405 1125 1 19 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.984 -0.333 18405 1126 1 19 . 1 1 4 4 GLY H H 4 8.193 8.193 7.793 0.400 18405 1127 1 19 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.783 -2.667 18405 1128 1 19 . 1 1 5 5 GLY H H 5 8.646 8.646 7.162 1.484 18405 1129 1 19 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.679 0.229 18405 1130 1 19 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.463 -2.913 18405 1131 1 19 . 1 1 6 6 ASP CB C 6 37.574 37.574 41.725 -4.151 18405 1132 1 19 . 1 1 6 6 ASP H H 6 8.237 8.237 8.479 -0.242 18405 1133 1 19 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.745 0.156 18405 1134 1 19 . 1 1 7 7 CYS CA C 7 53.210 53.210 58.011 -4.801 18405 1135 1 19 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.931 13.969 18405 1136 1 19 . 1 1 7 7 CYS H H 7 7.835 7.835 7.650 0.185 18405 1137 1 19 . 1 1 8 8 THR HA H 8 4.629 4.629 4.787 -0.158 18405 1138 1 19 . 1 1 8 8 THR CA C 8 61.705 61.705 61.168 0.537 18405 1139 1 19 . 1 1 8 8 THR CB C 8 68.438 68.438 72.307 -3.869 18405 1140 1 19 . 1 1 8 8 THR H H 8 8.501 8.501 8.090 0.411 18405 1141 1 19 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.593 0.019 18405 1142 1 19 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.030 -1.060 18405 1143 1 19 . 1 1 9 9 ASP CB C 9 35.754 35.754 41.040 -5.286 18405 1144 1 19 . 1 1 9 9 ASP H H 9 7.887 7.887 8.151 -0.264 18405 1145 1 19 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.627 -0.218 18405 1146 1 19 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.524 -1.745 18405 1147 1 19 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.307 -0.109 18405 1148 1 19 . 1 1 10 10 PHE H H 10 8.541 8.541 8.193 0.348 18405 1149 1 19 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.287 -0.324 18405 1150 1 19 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.986 -0.496 18405 1151 1 19 . 1 1 11 11 LEU CB C 11 40.425 40.425 41.604 -1.179 18405 1152 1 19 . 1 1 11 11 LEU H H 11 8.530 8.530 8.648 -0.118 18405 1153 1 19 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.139 -1.395 18405 1154 1 19 . 1 1 12 12 GLY H H 12 9.002 9.002 8.848 0.154 18405 1155 1 19 . 1 1 13 13 CYS HA H 13 4.597 4.597 5.048 -0.451 18405 1156 1 19 . 1 1 13 13 CYS H H 13 8.628 8.628 8.025 0.603 18405 1157 1 19 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.614 -0.740 18405 1158 1 19 . 1 1 14 14 GLY H H 14 7.619 7.619 7.873 -0.254 18405 1159 1 19 . 1 1 15 15 THR HA H 15 5.549 5.549 4.729 0.820 18405 1160 1 19 . 1 1 15 15 THR CA C 15 58.660 58.660 60.163 -1.504 18405 1161 1 19 . 1 1 15 15 THR CB C 15 71.883 71.883 70.480 1.403 18405 1162 1 19 . 1 1 15 15 THR H H 15 9.207 9.207 8.162 1.045 18405 1163 1 19 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.374 0.159 18405 1164 1 19 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.156 -2.656 18405 1165 1 19 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.669 -0.683 18405 1166 1 19 . 1 1 16 16 ALA H H 16 8.234 8.234 7.579 0.655 18405 1167 1 19 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.838 0.052 18405 1168 1 19 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.583 -2.386 18405 1169 1 19 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.165 -2.043 18405 1170 1 19 . 1 1 17 17 TRP H H 17 8.374 8.374 8.329 0.045 18405 1171 1 19 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.152 0.191 18405 1172 1 19 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.476 -2.926 18405 1173 1 19 . 1 1 18 18 ILE CB C 18 38.017 38.017 36.422 1.595 18405 1174 1 19 . 1 1 18 18 ILE H H 18 7.112 7.112 7.901 -0.789 18405 1175 1 19 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.560 0.285 18405 1176 1 19 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.884 -6.294 18405 1177 1 19 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.569 12.858 18405 1178 1 19 . 1 1 19 19 CYS H H 19 8.517 8.517 8.763 -0.246 18405 1179 1 20 . 1 1 2 2 VAL HA H 2 4.859 4.859 4.609 0.250 18405 1180 1 20 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.636 -1.209 18405 1181 1 20 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.470 -1.275 18405 1182 1 20 . 1 1 2 2 VAL H H 2 9.194 9.194 8.149 1.045 18405 1183 1 20 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.013 -0.143 18405 1184 1 20 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.469 -0.693 18405 1185 1 20 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.673 -3.100 18405 1186 1 20 . 1 1 3 3 TRP H H 3 8.721 8.721 8.448 0.273 18405 1187 1 20 . 1 1 4 4 GLY CA C 4 44.651 44.651 45.088 -0.437 18405 1188 1 20 . 1 1 4 4 GLY H H 4 8.193 8.193 7.879 0.314 18405 1189 1 20 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.633 -2.518 18405 1190 1 20 . 1 1 5 5 GLY H H 5 8.646 8.646 7.539 1.107 18405 1191 1 20 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.743 0.165 18405 1192 1 20 . 1 1 6 6 ASP CA C 6 51.550 51.550 55.461 -3.911 18405 1193 1 20 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.155 -4.581 18405 1194 1 20 . 1 1 6 6 ASP H H 6 8.237 8.237 8.342 -0.105 18405 1195 1 20 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.697 0.204 18405 1196 1 20 . 1 1 7 7 CYS CA C 7 53.210 53.210 57.717 -4.507 18405 1197 1 20 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.709 14.191 18405 1198 1 20 . 1 1 7 7 CYS H H 7 7.835 7.835 7.819 0.016 18405 1199 1 20 . 1 1 8 8 THR HA H 8 4.629 4.629 4.785 -0.156 18405 1200 1 20 . 1 1 8 8 THR CA C 8 61.705 61.705 61.557 0.148 18405 1201 1 20 . 1 1 8 8 THR CB C 8 68.438 68.438 72.461 -4.023 18405 1202 1 20 . 1 1 8 8 THR H H 8 8.501 8.501 8.140 0.361 18405 1203 1 20 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.457 0.155 18405 1204 1 20 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.000 -1.030 18405 1205 1 20 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.789 -5.035 18405 1206 1 20 . 1 1 9 9 ASP H H 9 7.887 7.887 8.102 -0.215 18405 1207 1 20 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.643 -0.234 18405 1208 1 20 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.250 -1.471 18405 1209 1 20 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.102 0.096 18405 1210 1 20 . 1 1 10 10 PHE H H 10 8.541 8.541 7.908 0.633 18405 1211 1 20 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.487 -0.523 18405 1212 1 20 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.474 0.016 18405 1213 1 20 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.276 -1.851 18405 1214 1 20 . 1 1 11 11 LEU H H 11 8.530 8.530 8.401 0.129 18405 1215 1 20 . 1 1 12 12 GLY CA C 12 43.744 43.744 44.868 -1.124 18405 1216 1 20 . 1 1 12 12 GLY H H 12 9.002 9.002 8.937 0.065 18405 1217 1 20 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.478 0.119 18405 1218 1 20 . 1 1 13 13 CYS H H 13 8.628 8.628 8.103 0.525 18405 1219 1 20 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.621 -0.747 18405 1220 1 20 . 1 1 14 14 GLY H H 14 7.619 7.619 7.737 -0.118 18405 1221 1 20 . 1 1 15 15 THR HA H 15 5.549 5.549 4.738 0.811 18405 1222 1 20 . 1 1 15 15 THR CA C 15 58.660 58.660 60.081 -1.421 18405 1223 1 20 . 1 1 15 15 THR CB C 15 71.883 71.883 70.518 1.365 18405 1224 1 20 . 1 1 15 15 THR H H 15 9.207 9.207 8.063 1.144 18405 1225 1 20 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.378 0.155 18405 1226 1 20 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.108 -2.607 18405 1227 1 20 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.666 -0.680 18405 1228 1 20 . 1 1 16 16 ALA H H 16 8.234 8.234 7.580 0.654 18405 1229 1 20 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.729 0.161 18405 1230 1 20 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.359 -2.163 18405 1231 1 20 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.183 -2.061 18405 1232 1 20 . 1 1 17 17 TRP H H 17 8.374 8.374 8.271 0.103 18405 1233 1 20 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.180 0.163 18405 1234 1 20 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.771 -3.221 18405 1235 1 20 . 1 1 18 18 ILE CB C 18 38.017 38.017 38.541 -0.525 18405 1236 1 20 . 1 1 18 18 ILE H H 18 7.112 7.112 7.858 -0.746 18405 1237 1 20 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.698 0.147 18405 1238 1 20 . 1 1 19 19 CYS CA C 19 52.590 52.590 57.441 -4.851 18405 1239 1 20 . 1 1 19 19 CYS CB C 19 42.427 42.427 29.701 12.726 18405 1240 1 20 . 1 1 19 19 CYS H H 19 8.517 8.517 8.412 0.105 18405 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 18405 2 1 1 "Average Difference" HA 21 0.377 0.039 0.384 18405 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18405 4 1 1 "Average Difference" CA 17 2.273 1.812 1.415 18405 5 1 1 "Average Difference" CB 13 5.737 -0.455 5.953 18405 6 1 1 "Average Difference" HN 18 0.565 -0.245 0.524 18405 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18405 8 1 2 "Average Difference" HA 21 0.380 -0.038 0.388 18405 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18405 10 1 2 "Average Difference" CA 17 2.247 1.799 1.389 18405 11 1 2 "Average Difference" CB 13 5.822 -0.598 6.027 18405 12 1 2 "Average Difference" HN 18 0.612 -0.285 0.557 18405 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18405 14 1 3 "Average Difference" HA 21 0.379 0.053 0.385 18405 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18405 16 1 3 "Average Difference" CA 17 2.322 1.900 1.375 18405 17 1 3 "Average Difference" CB 13 5.894 -0.365 6.123 18405 18 1 3 "Average Difference" HN 18 0.588 -0.284 0.530 18405 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18405 20 1 4 "Average Difference" HA 21 0.388 0.036 0.395 18405 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18405 22 1 4 "Average Difference" CA 17 2.377 1.844 1.545 18405 23 1 4 "Average Difference" CB 13 6.070 -0.557 6.291 18405 24 1 4 "Average Difference" HN 18 0.615 -0.261 0.573 18405 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18405 26 1 5 "Average Difference" HA 21 0.356 0.018 0.365 18405 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18405 28 1 5 "Average Difference" CA 17 2.282 1.838 1.394 18405 29 1 5 "Average Difference" CB 13 5.691 -0.540 5.897 18405 30 1 5 "Average Difference" HN 18 0.620 -0.256 0.581 18405 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18405 32 1 6 "Average Difference" HA 21 0.400 -0.033 0.408 18405 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18405 34 1 6 "Average Difference" CA 17 2.508 1.902 1.685 18405 35 1 6 "Average Difference" CB 13 5.983 -0.578 6.198 18405 36 1 6 "Average Difference" HN 18 0.585 -0.285 0.526 18405 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18405 38 1 7 "Average Difference" HA 21 0.365 0.009 0.374 18405 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18405 40 1 7 "Average Difference" CA 17 2.361 1.801 1.575 18405 41 1 7 "Average Difference" CB 13 5.966 -0.573 6.181 18405 42 1 7 "Average Difference" HN 18 0.620 -0.279 0.570 18405 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18405 44 1 8 "Average Difference" HA 21 0.384 0.034 0.392 18405 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18405 46 1 8 "Average Difference" CA 17 2.472 1.924 1.601 18405 47 1 8 "Average Difference" CB 13 5.978 -0.471 6.202 18405 48 1 8 "Average Difference" HN 18 0.586 -0.243 0.548 18405 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18405 50 1 9 "Average Difference" HA 21 0.381 0.036 0.389 18405 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18405 52 1 9 "Average Difference" CA 17 2.506 1.905 1.678 18405 53 1 9 "Average Difference" CB 13 5.916 -0.414 6.143 18405 54 1 9 "Average Difference" HN 18 0.609 -0.271 0.560 18405 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18405 56 1 10 "Average Difference" HA 21 0.362 0.014 0.371 18405 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18405 58 1 10 "Average Difference" CA 17 2.409 1.833 1.611 18405 59 1 10 "Average Difference" CB 13 5.948 -0.594 6.160 18405 60 1 10 "Average Difference" HN 18 0.627 -0.264 0.585 18405 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18405 62 1 11 "Average Difference" HA 21 0.372 -0.019 0.381 18405 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18405 64 1 11 "Average Difference" CA 17 2.411 1.869 1.571 18405 65 1 11 "Average Difference" CB 13 6.248 -0.853 6.442 18405 66 1 11 "Average Difference" HN 18 0.639 -0.266 0.598 18405 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18405 68 1 12 "Average Difference" HA 21 0.379 0.020 0.388 18405 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18405 70 1 12 "Average Difference" CA 17 2.131 1.766 1.228 18405 71 1 12 "Average Difference" CB 13 6.005 -0.543 6.225 18405 72 1 12 "Average Difference" HN 18 0.702 -0.353 0.625 18405 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18405 74 1 13 "Average Difference" HA 21 0.389 0.021 0.398 18405 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18405 76 1 13 "Average Difference" CA 17 2.544 1.971 1.659 18405 77 1 13 "Average Difference" CB 13 5.854 -0.409 6.078 18405 78 1 13 "Average Difference" HN 18 0.543 -0.243 0.500 18405 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18405 80 1 14 "Average Difference" HA 21 0.376 0.022 0.384 18405 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18405 82 1 14 "Average Difference" CA 17 2.332 1.874 1.430 18405 83 1 14 "Average Difference" CB 13 6.058 -0.641 6.270 18405 84 1 14 "Average Difference" HN 18 0.564 -0.257 0.517 18405 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18405 86 1 15 "Average Difference" HA 21 0.380 0.026 0.388 18405 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18405 88 1 15 "Average Difference" CA 17 2.361 1.886 1.464 18405 89 1 15 "Average Difference" CB 13 6.146 -0.586 6.368 18405 90 1 15 "Average Difference" HN 18 0.637 -0.271 0.593 18405 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18405 92 1 16 "Average Difference" HA 21 0.398 0.009 0.408 18405 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18405 94 1 16 "Average Difference" CA 17 2.284 1.818 1.424 18405 95 1 16 "Average Difference" CB 13 5.660 -0.514 5.866 18405 96 1 16 "Average Difference" HN 18 0.602 -0.254 0.562 18405 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18405 98 1 17 "Average Difference" HA 21 0.354 0.019 0.363 18405 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18405 100 1 17 "Average Difference" CA 17 2.212 1.764 1.376 18405 101 1 17 "Average Difference" CB 13 5.901 -0.541 6.116 18405 102 1 17 "Average Difference" HN 18 0.642 -0.317 0.574 18405 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18405 104 1 18 "Average Difference" HA 21 0.387 0.042 0.394 18405 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18405 106 1 18 "Average Difference" CA 17 2.101 1.734 1.223 18405 107 1 18 "Average Difference" CB 13 5.943 -0.567 6.157 18405 108 1 18 "Average Difference" HN 18 0.585 -0.277 0.531 18405 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18405 110 1 19 "Average Difference" HA 21 0.385 0.013 0.394 18405 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18405 112 1 19 "Average Difference" CA 17 2.561 1.970 1.687 18405 113 1 19 "Average Difference" CB 13 5.848 -0.592 6.056 18405 114 1 19 "Average Difference" HN 18 0.626 -0.270 0.581 18405 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18405 116 1 20 "Average Difference" HA 21 0.373 -0.004 0.382 18405 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18405 118 1 20 "Average Difference" CA 17 2.383 1.867 1.526 18405 119 1 20 "Average Difference" CB 13 5.866 -0.404 6.091 18405 120 1 20 "Average Difference" HN 18 0.563 -0.294 0.494 18405 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 18405 _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 VAL HA H 2 4.859 4.859 4.597 0.262 18405 2 1 . 1 1 2 2 VAL CA C 2 58.427 58.427 59.758 -1.331 18405 3 1 . 1 1 2 2 VAL CB C 2 32.195 32.195 33.628 -1.433 18405 4 1 . 1 1 2 2 VAL H H 2 9.194 9.194 8.096 1.098 18405 5 1 . 1 1 3 3 TRP HA H 3 4.870 4.870 5.073 -0.204 18405 6 1 . 1 1 3 3 TRP CA C 3 55.776 55.776 56.561 -0.785 18405 7 1 . 1 1 3 3 TRP CB C 3 29.573 29.573 32.715 -3.142 18405 8 1 . 1 1 3 3 TRP H H 3 8.721 8.721 8.436 0.285 18405 9 1 . 1 1 4 4 GLY CA C 4 44.651 44.651 44.916 -0.265 18405 10 1 . 1 1 4 4 GLY H H 4 8.193 8.193 7.871 0.322 18405 11 1 . 1 1 5 5 GLY CA C 5 42.116 42.116 44.802 -2.686 18405 12 1 . 1 1 5 5 GLY H H 5 8.646 8.646 7.322 1.324 18405 13 1 . 1 1 6 6 ASP HA H 6 4.908 4.908 4.737 0.171 18405 14 1 . 1 1 6 6 ASP CA C 6 51.550 51.550 54.969 -3.419 18405 15 1 . 1 1 6 6 ASP CB C 6 37.574 37.574 42.007 -4.433 18405 16 1 . 1 1 6 6 ASP H H 6 8.237 8.237 8.504 -0.267 18405 17 1 . 1 1 7 7 CYS HA H 7 4.901 4.901 4.976 -0.075 18405 18 1 . 1 1 7 7 CYS CA C 7 53.210 53.210 56.739 -3.529 18405 19 1 . 1 1 7 7 CYS CB C 7 43.900 43.900 29.988 13.912 18405 20 1 . 1 1 7 7 CYS H H 7 7.835 7.835 7.819 0.016 18405 21 1 . 1 1 8 8 THR HA H 8 4.629 4.629 4.716 -0.087 18405 22 1 . 1 1 8 8 THR CA C 8 61.705 61.705 61.535 0.170 18405 23 1 . 1 1 8 8 THR CB C 8 68.438 68.438 72.058 -3.620 18405 24 1 . 1 1 8 8 THR H H 8 8.501 8.501 8.031 0.470 18405 25 1 . 1 1 9 9 ASP HA H 9 4.612 4.612 4.523 0.089 18405 26 1 . 1 1 9 9 ASP CA C 9 52.970 52.970 54.057 -1.087 18405 27 1 . 1 1 9 9 ASP CB C 9 35.754 35.754 40.800 -5.046 18405 28 1 . 1 1 9 9 ASP H H 9 7.887 7.887 8.192 -0.305 18405 29 1 . 1 1 10 10 PHE HA H 10 4.409 4.409 4.619 -0.210 18405 30 1 . 1 1 10 10 PHE CA C 10 55.779 55.779 57.391 -1.612 18405 31 1 . 1 1 10 10 PHE CB C 10 40.198 40.198 40.361 -0.163 18405 32 1 . 1 1 10 10 PHE H H 10 8.541 8.541 8.109 0.432 18405 33 1 . 1 1 11 11 LEU HA H 11 3.964 3.964 4.406 -0.442 18405 34 1 . 1 1 11 11 LEU CA C 11 55.490 55.490 55.600 -0.110 18405 35 1 . 1 1 11 11 LEU CB C 11 40.425 40.425 42.058 -1.633 18405 36 1 . 1 1 11 11 LEU H H 11 8.530 8.530 8.431 0.099 18405 37 1 . 1 1 12 12 GLY CA C 12 43.744 43.744 45.015 -1.271 18405 38 1 . 1 1 12 12 GLY H H 12 9.002 9.002 8.877 0.125 18405 39 1 . 1 1 13 13 CYS HA H 13 4.597 4.597 4.812 -0.215 18405 40 1 . 1 1 13 13 CYS H H 13 8.628 8.628 8.102 0.526 18405 41 1 . 1 1 14 14 GLY CA C 14 44.874 44.874 45.623 -0.748 18405 42 1 . 1 1 14 14 GLY H H 14 7.619 7.619 7.737 -0.118 18405 43 1 . 1 1 15 15 THR HA H 15 5.549 5.549 4.781 0.768 18405 44 1 . 1 1 15 15 THR CA C 15 58.660 58.660 60.158 -1.498 18405 45 1 . 1 1 15 15 THR CB C 15 71.883 71.883 70.594 1.289 18405 46 1 . 1 1 15 15 THR H H 15 9.207 9.207 8.069 1.138 18405 47 1 . 1 1 16 16 ALA HA H 16 4.533 4.533 4.352 0.181 18405 48 1 . 1 1 16 16 ALA CA C 16 48.500 48.500 51.044 -2.543 18405 49 1 . 1 1 16 16 ALA CB C 16 20.986 20.986 21.400 -0.414 18405 50 1 . 1 1 16 16 ALA H H 16 8.234 8.234 7.715 0.519 18405 51 1 . 1 1 17 17 TRP HA H 17 4.890 4.890 4.752 0.138 18405 52 1 . 1 1 17 17 TRP CA C 17 55.197 55.197 57.801 -2.604 18405 53 1 . 1 1 17 17 TRP CB C 17 28.122 28.122 30.157 -2.035 18405 54 1 . 1 1 17 17 TRP H H 17 8.374 8.374 8.221 0.153 18405 55 1 . 1 1 18 18 ILE HA H 18 4.343 4.343 4.219 0.124 18405 56 1 . 1 1 18 18 ILE CA C 18 58.550 58.550 61.294 -2.744 18405 57 1 . 1 1 18 18 ILE CB C 18 38.017 38.017 37.790 0.227 18405 58 1 . 1 1 18 18 ILE H H 18 7.112 7.112 7.954 -0.842 18405 59 1 . 1 1 19 19 CYS HA H 19 4.845 4.845 4.724 0.121 18405 60 1 . 1 1 19 19 CYS CA C 19 52.590 52.590 58.043 -5.453 18405 61 1 . 1 1 19 19 CYS CB C 19 42.427 42.427 28.917 13.510 18405 62 1 . 1 1 19 19 CYS H H 19 8.517 8.517 8.564 -0.047 18405 stop_ save_