data_18080 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18080 _Entry.PDB_ID 2LLM 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 18080 _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 N N 2 116.055 116.055 115.761 0.294 18080 2 1 1 . 1 1 2 2 SER HA H 2 4.722 4.722 4.588 0.134 18080 3 1 1 . 1 1 2 2 SER CA C 2 56.168 56.168 57.799 -1.631 18080 4 1 1 . 1 1 2 2 SER H H 2 8.902 8.902 8.025 0.877 18080 5 1 1 . 1 1 3 3 GLN N N 3 123.740 123.740 118.161 5.579 18080 6 1 1 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.176 0.153 18080 7 1 1 . 1 1 3 3 GLN CA C 3 54.674 54.674 57.222 -2.548 18080 8 1 1 . 1 1 3 3 GLN CB C 3 26.279 26.279 26.876 -0.597 18080 9 1 1 . 1 1 3 3 GLN H H 3 8.817 8.817 8.827 -0.010 18080 10 1 1 . 1 1 4 4 LYS N N 4 120.182 120.182 115.832 4.350 18080 11 1 1 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.380 -0.094 18080 12 1 1 . 1 1 4 4 LYS CA C 4 55.656 55.656 58.228 -2.572 18080 13 1 1 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.668 -2.241 18080 14 1 1 . 1 1 4 4 LYS H H 4 8.442 8.442 8.321 0.121 18080 15 1 1 . 1 1 5 5 LEU N N 5 119.225 119.225 121.463 -2.238 18080 16 1 1 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.333 0.000 18080 17 1 1 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.215 -2.736 18080 18 1 1 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.324 -1.867 18080 19 1 1 . 1 1 5 5 LEU H H 5 8.181 8.181 8.040 0.141 18080 20 1 1 . 1 1 6 6 VAL N N 6 118.118 118.118 118.294 -0.176 18080 21 1 1 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.652 0.207 18080 22 1 1 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.686 -4.203 18080 23 1 1 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.426 -1.808 18080 24 1 1 . 1 1 6 6 VAL H H 6 7.749 7.749 7.849 -0.100 18080 25 1 1 . 1 1 7 7 PHE N N 7 119.494 119.494 120.664 -1.170 18080 26 1 1 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.133 0.378 18080 27 1 1 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.573 -4.557 18080 28 1 1 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.969 -2.786 18080 29 1 1 . 1 1 7 7 PHE H H 7 7.989 7.989 7.746 0.243 18080 30 1 1 . 1 1 8 8 PHE N N 8 118.388 118.388 119.438 -1.050 18080 31 1 1 . 1 1 8 8 PHE HA H 8 4.445 4.445 3.952 0.493 18080 32 1 1 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.207 -3.770 18080 33 1 1 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.958 -2.324 18080 34 1 1 . 1 1 8 8 PHE H H 8 8.031 8.031 7.876 0.155 18080 35 1 1 . 1 1 9 9 ALA N N 9 120.899 120.899 122.683 -1.784 18080 36 1 1 . 1 1 9 9 ALA HA H 9 4.066 4.066 4.073 -0.007 18080 37 1 1 . 1 1 9 9 ALA CA C 9 52.027 52.027 54.740 -2.713 18080 38 1 1 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.027 -1.837 18080 39 1 1 . 1 1 9 9 ALA H H 9 8.246 8.246 8.120 0.126 18080 40 1 1 . 1 1 10 10 GLU N N 10 115.098 115.098 117.855 -2.757 18080 41 1 1 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.018 0.221 18080 42 1 1 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.672 -3.640 18080 43 1 1 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.828 -3.795 18080 44 1 1 . 1 1 10 10 GLU H H 10 8.167 8.167 8.076 0.091 18080 45 1 1 . 1 1 11 11 ASP N N 11 118.059 118.059 117.238 0.821 18080 46 1 1 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.330 0.381 18080 47 1 1 . 1 1 11 11 ASP CA C 11 52.033 52.033 54.872 -2.839 18080 48 1 1 . 1 1 11 11 ASP H H 11 8.174 8.174 7.823 0.351 18080 49 1 1 . 1 1 12 12 VAL N N 12 116.474 116.474 116.009 0.465 18080 50 1 1 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.442 0.617 18080 51 1 1 . 1 1 12 12 VAL CA C 12 61.057 61.057 62.631 -1.574 18080 52 1 1 . 1 1 12 12 VAL CB C 12 29.513 29.513 29.189 0.324 18080 53 1 1 . 1 1 12 12 VAL H H 12 7.846 7.846 7.695 0.151 18080 54 1 1 . 1 1 13 13 GLY N N 13 107.383 107.383 108.602 -1.219 18080 55 1 1 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.460 -1.915 18080 56 1 1 . 1 1 13 13 GLY H H 13 8.163 8.163 6.914 1.249 18080 57 1 1 . 1 1 14 14 SER N N 14 113.723 113.723 118.468 -4.745 18080 58 1 1 . 1 1 14 14 SER HA H 14 4.567 4.567 4.389 0.178 18080 59 1 1 . 1 1 14 14 SER CA C 14 56.065 56.065 58.482 -2.417 18080 60 1 1 . 1 1 14 14 SER CB C 14 61.566 61.566 63.589 -2.023 18080 61 1 1 . 1 1 14 14 SER H H 14 8.031 8.031 8.082 -0.051 18080 62 1 1 . 1 1 15 15 ASN N N 15 120.384 120.384 122.367 -1.983 18080 63 1 1 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.310 0.579 18080 64 1 1 . 1 1 15 15 ASN CA C 15 51.205 51.205 54.454 -3.249 18080 65 1 1 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.219 -1.539 18080 66 1 1 . 1 1 15 15 ASN H H 15 8.334 8.334 8.869 -0.535 18080 67 1 1 . 1 1 16 16 LYS N N 16 121.348 121.348 119.550 1.798 18080 68 1 1 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.119 0.040 18080 69 1 1 . 1 1 16 16 LYS CA C 16 56.438 56.438 58.921 -2.483 18080 70 1 1 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.412 -2.242 18080 71 1 1 . 1 1 16 16 LYS H H 16 8.610 8.610 8.216 0.394 18080 72 1 1 . 1 1 17 17 GLY N N 17 106.755 106.755 107.492 -0.737 18080 73 1 1 . 1 1 17 17 GLY CA C 17 44.775 44.775 47.080 -2.305 18080 74 1 1 . 1 1 17 17 GLY H H 17 8.620 8.620 8.743 -0.123 18080 75 1 1 . 1 1 18 18 ALA N N 18 122.574 122.574 123.377 -0.803 18080 76 1 1 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.043 0.157 18080 77 1 1 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.940 -2.528 18080 78 1 1 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.541 -2.329 18080 79 1 1 . 1 1 18 18 ALA H H 18 8.099 8.099 7.812 0.287 18080 80 1 1 . 1 1 19 19 ILE N N 19 116.264 116.264 119.068 -2.804 18080 81 1 1 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.660 0.238 18080 82 1 1 . 1 1 19 19 ILE CA C 19 61.770 61.770 63.659 -1.889 18080 83 1 1 . 1 1 19 19 ILE CB C 19 35.134 35.134 36.741 -1.607 18080 84 1 1 . 1 1 19 19 ILE H H 19 7.899 7.899 7.533 0.366 18080 85 1 1 . 1 1 20 20 ILE N N 20 119.344 119.344 119.754 -0.410 18080 86 1 1 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.636 0.203 18080 87 1 1 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.061 -3.446 18080 88 1 1 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.306 -2.334 18080 89 1 1 . 1 1 20 20 ILE H H 20 8.210 8.210 7.477 0.733 18080 90 1 1 . 1 1 21 21 GLY N N 21 106.546 106.546 107.484 -0.938 18080 91 1 1 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.032 -1.732 18080 92 1 1 . 1 1 21 21 GLY H H 21 8.531 8.531 8.282 0.249 18080 93 1 1 . 1 1 22 22 LEU N N 22 120.869 120.869 123.575 -2.706 18080 94 1 1 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.118 0.004 18080 95 1 1 . 1 1 22 22 LEU CA C 22 55.894 55.894 58.043 -2.149 18080 96 1 1 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.558 -1.850 18080 97 1 1 . 1 1 22 22 LEU H H 22 8.310 8.310 8.387 -0.077 18080 98 1 1 . 1 1 23 23 MET N N 23 117.191 117.191 118.233 -1.042 18080 99 1 1 . 1 1 23 23 MET HA H 23 4.167 4.167 4.143 0.024 18080 100 1 1 . 1 1 23 23 MET CA C 23 56.961 56.961 58.567 -1.606 18080 101 1 1 . 1 1 23 23 MET CB C 23 30.421 30.421 31.921 -1.500 18080 102 1 1 . 1 1 23 23 MET H H 23 8.263 8.263 8.127 0.136 18080 103 1 1 . 1 1 24 24 VAL N N 24 117.660 117.660 118.323 -0.663 18080 104 1 1 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.618 -0.017 18080 105 1 1 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.527 -1.846 18080 106 1 1 . 1 1 24 24 VAL CB C 24 28.867 28.867 31.162 -2.295 18080 107 1 1 . 1 1 24 24 VAL H H 24 8.682 8.682 8.767 -0.085 18080 108 1 1 . 1 1 25 25 GLY N N 25 106.038 106.038 107.267 -1.229 18080 109 1 1 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.045 -1.982 18080 110 1 1 . 1 1 25 25 GLY H H 25 8.774 8.774 8.159 0.615 18080 111 1 1 . 1 1 26 26 GLY N N 26 108.191 108.191 110.434 -2.243 18080 112 1 1 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.819 -1.851 18080 113 1 1 . 1 1 26 26 GLY H H 26 8.806 8.806 8.063 0.743 18080 114 1 1 . 1 1 27 27 VAL N N 27 120.729 120.729 122.938 -2.209 18080 115 1 1 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.639 0.058 18080 116 1 1 . 1 1 27 27 VAL CA C 27 64.557 64.557 67.266 -2.709 18080 117 1 1 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.766 -2.930 18080 118 1 1 . 1 1 27 27 VAL H H 27 8.280 8.280 8.055 0.225 18080 119 1 1 . 1 1 28 28 VAL N N 28 122.275 122.275 119.866 2.409 18080 120 1 1 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.611 -0.048 18080 121 1 1 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.683 -1.403 18080 122 1 1 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.305 -2.466 18080 123 1 1 . 1 1 28 28 VAL H H 28 8.577 8.577 7.728 0.849 18080 124 1 1 . 1 1 29 29 ILE N N 29 118.627 118.627 119.395 -0.768 18080 125 1 1 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.541 0.120 18080 126 1 1 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.624 -2.494 18080 127 1 1 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.309 -2.540 18080 128 1 1 . 1 1 29 29 ILE H H 29 8.527 8.527 8.143 0.384 18080 129 1 1 . 1 1 30 30 ALA N N 30 120.541 120.541 121.862 -1.321 18080 130 1 1 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.907 0.066 18080 131 1 1 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.594 -2.212 18080 132 1 1 . 1 1 30 30 ALA CB C 30 15.554 15.554 17.996 -2.442 18080 133 1 1 . 1 1 30 30 ALA H H 30 8.645 8.645 8.117 0.528 18080 134 1 1 . 1 1 31 31 THR N N 31 113.932 113.932 115.896 -1.964 18080 135 1 1 . 1 1 31 31 THR HA H 31 3.775 3.775 3.917 -0.142 18080 136 1 1 . 1 1 31 31 THR CA C 31 66.027 66.027 66.589 -0.562 18080 137 1 1 . 1 1 31 31 THR CB C 31 65.255 65.255 68.225 -2.970 18080 138 1 1 . 1 1 31 31 THR H H 31 8.238 8.238 8.236 0.002 18080 139 1 1 . 1 1 32 32 VAL N N 32 120.206 120.206 121.526 -1.320 18080 140 1 1 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.570 0.039 18080 141 1 1 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.773 -2.104 18080 142 1 1 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.431 -2.536 18080 143 1 1 . 1 1 32 32 VAL H H 32 8.324 8.324 8.062 0.262 18080 144 1 1 . 1 1 33 33 ILE N N 33 121.976 121.976 119.648 2.328 18080 145 1 1 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.870 -0.213 18080 146 1 1 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.574 0.267 18080 147 1 1 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.218 -1.303 18080 148 1 1 . 1 1 33 33 ILE H H 33 8.520 8.520 8.122 0.398 18080 149 1 1 . 1 1 34 34 VAL N N 34 119.099 119.099 120.968 -1.869 18080 150 1 1 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.694 -0.056 18080 151 1 1 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.636 -0.958 18080 152 1 1 . 1 1 34 34 VAL CB C 34 28.816 28.816 30.925 -2.109 18080 153 1 1 . 1 1 34 34 VAL H H 34 8.539 8.539 8.086 0.453 18080 154 1 1 . 1 1 35 35 ILE N N 35 117.727 117.727 119.710 -1.983 18080 155 1 1 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.748 -0.082 18080 156 1 1 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.449 -1.113 18080 157 1 1 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.493 -1.433 18080 158 1 1 . 1 1 35 35 ILE H H 35 8.690 8.690 8.442 0.248 18080 159 1 1 . 1 1 36 36 THR N N 36 116.743 116.743 114.633 2.110 18080 160 1 1 . 1 1 36 36 THR HA H 36 3.776 3.776 3.969 -0.193 18080 161 1 1 . 1 1 36 36 THR CA C 36 66.196 66.196 65.736 0.460 18080 162 1 1 . 1 1 36 36 THR CB C 36 65.191 65.191 68.846 -3.655 18080 163 1 1 . 1 1 36 36 THR H H 36 8.267 8.267 8.183 0.084 18080 164 1 1 . 1 1 37 37 LEU N N 37 120.103 120.103 122.963 -2.860 18080 165 1 1 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.057 0.065 18080 166 1 1 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.862 -1.793 18080 167 1 1 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.539 -1.865 18080 168 1 1 . 1 1 37 37 LEU H H 37 8.439 8.439 8.071 0.368 18080 169 1 1 . 1 1 38 38 VAL N N 38 117.700 117.700 119.076 -1.376 18080 170 1 1 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.542 0.180 18080 171 1 1 . 1 1 38 38 VAL CA C 38 64.267 64.267 67.160 -2.893 18080 172 1 1 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.496 -2.554 18080 173 1 1 . 1 1 38 38 VAL H H 38 8.470 8.470 8.395 0.075 18080 174 1 1 . 1 1 39 39 MET N N 39 117.431 117.431 117.869 -0.438 18080 175 1 1 . 1 1 39 39 MET HA H 39 4.351 4.351 4.163 0.188 18080 176 1 1 . 1 1 39 39 MET CA C 39 55.609 55.609 58.700 -3.091 18080 177 1 1 . 1 1 39 39 MET CB C 39 29.560 29.560 32.457 -2.897 18080 178 1 1 . 1 1 39 39 MET H H 39 8.513 8.513 8.068 0.445 18080 179 1 1 . 1 1 40 40 LEU N N 40 117.760 117.760 120.919 -3.159 18080 180 1 1 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.089 0.240 18080 181 1 1 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.583 -3.274 18080 182 1 1 . 1 1 40 40 LEU CB C 40 39.694 39.694 42.530 -2.836 18080 183 1 1 . 1 1 40 40 LEU H H 40 8.399 8.399 8.032 0.367 18080 184 1 1 . 1 1 41 41 LYS N N 41 117.042 117.042 117.479 -0.437 18080 185 1 1 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.204 0.139 18080 186 1 1 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.239 -2.864 18080 187 1 1 . 1 1 41 41 LYS CB C 41 30.149 30.149 33.266 -3.117 18080 188 1 1 . 1 1 41 41 LYS H H 41 7.928 7.928 7.693 0.235 18080 189 1 1 . 1 1 42 42 LYS N N 42 119.285 119.285 118.186 1.099 18080 190 1 1 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.041 0.370 18080 191 1 1 . 1 1 42 42 LYS CA C 42 53.997 53.997 57.189 -3.192 18080 192 1 1 . 1 1 42 42 LYS CB C 42 30.417 30.417 30.476 -0.059 18080 193 1 1 . 1 1 42 42 LYS H H 42 8.056 8.056 8.212 -0.156 18080 194 1 2 . 1 1 2 2 SER N N 2 116.055 116.055 119.965 -3.910 18080 195 1 2 . 1 1 2 2 SER HA H 2 4.722 4.722 4.519 0.203 18080 196 1 2 . 1 1 2 2 SER CA C 2 56.168 56.168 58.278 -2.110 18080 197 1 2 . 1 1 2 2 SER H H 2 8.902 8.902 8.263 0.639 18080 198 1 2 . 1 1 3 3 GLN N N 3 123.740 123.740 123.596 0.144 18080 199 1 2 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.624 -0.295 18080 200 1 2 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.187 -0.513 18080 201 1 2 . 1 1 3 3 GLN CB C 3 26.279 26.279 28.764 -2.485 18080 202 1 2 . 1 1 3 3 GLN H H 3 8.817 8.817 7.926 0.891 18080 203 1 2 . 1 1 4 4 LYS N N 4 120.182 120.182 120.031 0.151 18080 204 1 2 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.388 -0.102 18080 205 1 2 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.150 -1.494 18080 206 1 2 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.619 -2.192 18080 207 1 2 . 1 1 4 4 LYS H H 4 8.442 8.442 8.210 0.232 18080 208 1 2 . 1 1 5 5 LEU N N 5 119.225 119.225 121.700 -2.475 18080 209 1 2 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.469 -0.136 18080 210 1 2 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.763 -3.284 18080 211 1 2 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.317 -1.860 18080 212 1 2 . 1 1 5 5 LEU H H 5 8.181 8.181 8.117 0.064 18080 213 1 2 . 1 1 6 6 VAL N N 6 118.118 118.118 118.545 -0.427 18080 214 1 2 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.737 0.122 18080 215 1 2 . 1 1 6 6 VAL CA C 6 62.483 62.483 65.656 -3.173 18080 216 1 2 . 1 1 6 6 VAL CB C 6 29.618 29.618 30.984 -1.366 18080 217 1 2 . 1 1 6 6 VAL H H 6 7.749 7.749 7.988 -0.239 18080 218 1 2 . 1 1 7 7 PHE N N 7 119.494 119.494 121.390 -1.896 18080 219 1 2 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.052 0.459 18080 220 1 2 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.644 -4.628 18080 221 1 2 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.659 -2.476 18080 222 1 2 . 1 1 7 7 PHE H H 7 7.989 7.989 7.659 0.330 18080 223 1 2 . 1 1 8 8 PHE N N 8 118.388 118.388 117.903 0.485 18080 224 1 2 . 1 1 8 8 PHE HA H 8 4.445 4.445 3.997 0.448 18080 225 1 2 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.299 -3.862 18080 226 1 2 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.010 -1.376 18080 227 1 2 . 1 1 8 8 PHE H H 8 8.031 8.031 7.521 0.510 18080 228 1 2 . 1 1 9 9 ALA N N 9 120.899 120.899 122.180 -1.281 18080 229 1 2 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.975 0.091 18080 230 1 2 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.317 -3.290 18080 231 1 2 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.179 -1.989 18080 232 1 2 . 1 1 9 9 ALA H H 9 8.246 8.246 8.576 -0.330 18080 233 1 2 . 1 1 10 10 GLU N N 10 115.098 115.098 115.432 -0.334 18080 234 1 2 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.045 0.194 18080 235 1 2 . 1 1 10 10 GLU CA C 10 55.032 55.032 57.788 -2.756 18080 236 1 2 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.710 -3.677 18080 237 1 2 . 1 1 10 10 GLU H H 10 8.167 8.167 8.028 0.139 18080 238 1 2 . 1 1 11 11 ASP N N 11 118.059 118.059 118.941 -0.882 18080 239 1 2 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.262 0.449 18080 240 1 2 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.327 -4.294 18080 241 1 2 . 1 1 11 11 ASP H H 11 8.174 8.174 7.675 0.499 18080 242 1 2 . 1 1 12 12 VAL N N 12 116.474 116.474 116.238 0.236 18080 243 1 2 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.195 -0.136 18080 244 1 2 . 1 1 12 12 VAL CA C 12 61.057 61.057 62.858 -1.801 18080 245 1 2 . 1 1 12 12 VAL CB C 12 29.513 29.513 33.798 -4.285 18080 246 1 2 . 1 1 12 12 VAL H H 12 7.846 7.846 7.967 -0.121 18080 247 1 2 . 1 1 13 13 GLY N N 13 107.383 107.383 109.511 -2.128 18080 248 1 2 . 1 1 13 13 GLY CA C 13 43.545 43.545 44.745 -1.200 18080 249 1 2 . 1 1 13 13 GLY H H 13 8.163 8.163 7.810 0.353 18080 250 1 2 . 1 1 14 14 SER N N 14 113.723 113.723 116.120 -2.397 18080 251 1 2 . 1 1 14 14 SER HA H 14 4.567 4.567 4.500 0.067 18080 252 1 2 . 1 1 14 14 SER CA C 14 56.065 56.065 58.309 -2.244 18080 253 1 2 . 1 1 14 14 SER CB C 14 61.566 61.566 63.869 -2.303 18080 254 1 2 . 1 1 14 14 SER H H 14 8.031 8.031 8.477 -0.446 18080 255 1 2 . 1 1 15 15 ASN N N 15 120.384 120.384 120.546 -0.162 18080 256 1 2 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.697 0.192 18080 257 1 2 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.596 -2.391 18080 258 1 2 . 1 1 15 15 ASN CB C 15 36.680 36.680 39.499 -2.819 18080 259 1 2 . 1 1 15 15 ASN H H 15 8.334 8.334 7.783 0.551 18080 260 1 2 . 1 1 16 16 LYS N N 16 121.348 121.348 124.740 -3.392 18080 261 1 2 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.005 0.154 18080 262 1 2 . 1 1 16 16 LYS CA C 16 56.438 56.438 58.718 -2.280 18080 263 1 2 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.652 -2.482 18080 264 1 2 . 1 1 16 16 LYS H H 16 8.610 8.610 8.603 0.007 18080 265 1 2 . 1 1 17 17 GLY N N 17 106.755 106.755 105.614 1.141 18080 266 1 2 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.427 -1.652 18080 267 1 2 . 1 1 17 17 GLY H H 17 8.620 8.620 8.231 0.389 18080 268 1 2 . 1 1 18 18 ALA N N 18 122.574 122.574 125.487 -2.913 18080 269 1 2 . 1 1 18 18 ALA HA H 18 4.200 4.200 3.991 0.209 18080 270 1 2 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.933 -2.521 18080 271 1 2 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.277 -2.065 18080 272 1 2 . 1 1 18 18 ALA H H 18 8.099 8.099 7.934 0.165 18080 273 1 2 . 1 1 19 19 ILE N N 19 116.264 116.264 118.836 -2.572 18080 274 1 2 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.566 0.332 18080 275 1 2 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.637 -3.867 18080 276 1 2 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.798 -2.664 18080 277 1 2 . 1 1 19 19 ILE H H 19 7.899 7.899 7.366 0.533 18080 278 1 2 . 1 1 20 20 ILE N N 20 119.344 119.344 119.565 -0.221 18080 279 1 2 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.582 0.258 18080 280 1 2 . 1 1 20 20 ILE CA C 20 62.615 62.615 65.991 -3.376 18080 281 1 2 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.464 -2.492 18080 282 1 2 . 1 1 20 20 ILE H H 20 8.210 8.210 7.315 0.895 18080 283 1 2 . 1 1 21 21 GLY N N 21 106.546 106.546 107.435 -0.889 18080 284 1 2 . 1 1 21 21 GLY CA C 21 45.299 45.299 46.981 -1.682 18080 285 1 2 . 1 1 21 21 GLY H H 21 8.531 8.531 8.285 0.246 18080 286 1 2 . 1 1 22 22 LEU N N 22 120.869 120.869 123.628 -2.759 18080 287 1 2 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.143 -0.021 18080 288 1 2 . 1 1 22 22 LEU CA C 22 55.894 55.894 58.024 -2.130 18080 289 1 2 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.552 -1.844 18080 290 1 2 . 1 1 22 22 LEU H H 22 8.310 8.310 8.384 -0.074 18080 291 1 2 . 1 1 23 23 MET N N 23 117.191 117.191 118.566 -1.375 18080 292 1 2 . 1 1 23 23 MET HA H 23 4.167 4.167 4.168 -0.001 18080 293 1 2 . 1 1 23 23 MET CA C 23 56.961 56.961 58.391 -1.430 18080 294 1 2 . 1 1 23 23 MET CB C 23 30.421 30.421 31.851 -1.430 18080 295 1 2 . 1 1 23 23 MET H H 23 8.263 8.263 8.162 0.101 18080 296 1 2 . 1 1 24 24 VAL N N 24 117.660 117.660 117.877 -0.217 18080 297 1 2 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.701 -0.100 18080 298 1 2 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.980 -2.299 18080 299 1 2 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.553 -1.686 18080 300 1 2 . 1 1 24 24 VAL H H 24 8.682 8.682 8.683 -0.001 18080 301 1 2 . 1 1 25 25 GLY N N 25 106.038 106.038 107.587 -1.549 18080 302 1 2 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.101 -2.038 18080 303 1 2 . 1 1 25 25 GLY H H 25 8.774 8.774 8.261 0.513 18080 304 1 2 . 1 1 26 26 GLY N N 26 108.191 108.191 110.454 -2.263 18080 305 1 2 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.823 -1.855 18080 306 1 2 . 1 1 26 26 GLY H H 26 8.806 8.806 8.073 0.733 18080 307 1 2 . 1 1 27 27 VAL N N 27 120.729 120.729 123.074 -2.345 18080 308 1 2 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.639 0.058 18080 309 1 2 . 1 1 27 27 VAL CA C 27 64.557 64.557 67.352 -2.795 18080 310 1 2 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.864 -3.028 18080 311 1 2 . 1 1 27 27 VAL H H 27 8.280 8.280 8.031 0.249 18080 312 1 2 . 1 1 28 28 VAL N N 28 122.275 122.275 119.996 2.279 18080 313 1 2 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.554 0.009 18080 314 1 2 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.738 -1.458 18080 315 1 2 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.519 -2.680 18080 316 1 2 . 1 1 28 28 VAL H H 28 8.577 8.577 7.728 0.849 18080 317 1 2 . 1 1 29 29 ILE N N 29 118.627 118.627 119.229 -0.602 18080 318 1 2 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.657 0.004 18080 319 1 2 . 1 1 29 29 ILE CA C 29 63.131 63.131 63.889 -0.758 18080 320 1 2 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.342 -1.573 18080 321 1 2 . 1 1 29 29 ILE H H 29 8.527 8.527 8.197 0.330 18080 322 1 2 . 1 1 30 30 ALA N N 30 120.541 120.541 122.205 -1.664 18080 323 1 2 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.919 0.054 18080 324 1 2 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.616 -2.234 18080 325 1 2 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.094 -2.540 18080 326 1 2 . 1 1 30 30 ALA H H 30 8.645 8.645 8.183 0.462 18080 327 1 2 . 1 1 31 31 THR N N 31 113.932 113.932 115.883 -1.951 18080 328 1 2 . 1 1 31 31 THR HA H 31 3.775 3.775 3.925 -0.150 18080 329 1 2 . 1 1 31 31 THR CA C 31 66.027 66.027 66.655 -0.628 18080 330 1 2 . 1 1 31 31 THR CB C 31 65.255 65.255 68.319 -3.064 18080 331 1 2 . 1 1 31 31 THR H H 31 8.238 8.238 8.246 -0.008 18080 332 1 2 . 1 1 32 32 VAL N N 32 120.206 120.206 121.330 -1.124 18080 333 1 2 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.635 -0.026 18080 334 1 2 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.857 -2.188 18080 335 1 2 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.287 -2.392 18080 336 1 2 . 1 1 32 32 VAL H H 32 8.324 8.324 8.020 0.304 18080 337 1 2 . 1 1 33 33 ILE N N 33 121.976 121.976 119.784 2.192 18080 338 1 2 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.765 -0.108 18080 339 1 2 . 1 1 33 33 ILE CA C 33 63.841 63.841 65.129 -1.288 18080 340 1 2 . 1 1 33 33 ILE CB C 33 34.915 34.915 37.472 -2.557 18080 341 1 2 . 1 1 33 33 ILE H H 33 8.520 8.520 8.060 0.460 18080 342 1 2 . 1 1 34 34 VAL N N 34 119.099 119.099 120.392 -1.293 18080 343 1 2 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.630 0.008 18080 344 1 2 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.938 -1.260 18080 345 1 2 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.111 -2.295 18080 346 1 2 . 1 1 34 34 VAL H H 34 8.539 8.539 7.946 0.593 18080 347 1 2 . 1 1 35 35 ILE N N 35 117.727 117.727 119.746 -2.019 18080 348 1 2 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.623 0.043 18080 349 1 2 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.803 -2.467 18080 350 1 2 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.587 -2.527 18080 351 1 2 . 1 1 35 35 ILE H H 35 8.690 8.690 8.460 0.230 18080 352 1 2 . 1 1 36 36 THR N N 36 116.743 116.743 115.488 1.255 18080 353 1 2 . 1 1 36 36 THR HA H 36 3.776 3.776 3.946 -0.170 18080 354 1 2 . 1 1 36 36 THR CA C 36 66.196 66.196 65.942 0.255 18080 355 1 2 . 1 1 36 36 THR CB C 36 65.191 65.191 68.582 -3.391 18080 356 1 2 . 1 1 36 36 THR H H 36 8.267 8.267 8.282 -0.015 18080 357 1 2 . 1 1 37 37 LEU N N 37 120.103 120.103 123.270 -3.167 18080 358 1 2 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.012 0.110 18080 359 1 2 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.793 -1.724 18080 360 1 2 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.538 -1.863 18080 361 1 2 . 1 1 37 37 LEU H H 37 8.439 8.439 7.964 0.475 18080 362 1 2 . 1 1 38 38 VAL N N 38 117.700 117.700 118.498 -0.798 18080 363 1 2 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.447 0.275 18080 364 1 2 . 1 1 38 38 VAL CA C 38 64.267 64.267 67.168 -2.901 18080 365 1 2 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.783 -2.841 18080 366 1 2 . 1 1 38 38 VAL H H 38 8.470 8.470 8.114 0.356 18080 367 1 2 . 1 1 39 39 MET N N 39 117.431 117.431 116.153 1.278 18080 368 1 2 . 1 1 39 39 MET HA H 39 4.351 4.351 4.163 0.188 18080 369 1 2 . 1 1 39 39 MET CA C 39 55.609 55.609 58.359 -2.750 18080 370 1 2 . 1 1 39 39 MET CB C 39 29.560 29.560 32.666 -3.106 18080 371 1 2 . 1 1 39 39 MET H H 39 8.513 8.513 7.865 0.648 18080 372 1 2 . 1 1 40 40 LEU N N 40 117.760 117.760 120.539 -2.779 18080 373 1 2 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.007 0.322 18080 374 1 2 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.820 -3.511 18080 375 1 2 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.862 -2.168 18080 376 1 2 . 1 1 40 40 LEU H H 40 8.399 8.399 8.235 0.164 18080 377 1 2 . 1 1 41 41 LYS N N 41 117.042 117.042 115.205 1.837 18080 378 1 2 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.147 0.196 18080 379 1 2 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.988 -3.613 18080 380 1 2 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.359 -2.211 18080 381 1 2 . 1 1 41 41 LYS H H 41 7.928 7.928 7.438 0.490 18080 382 1 2 . 1 1 42 42 LYS N N 42 119.285 119.285 121.341 -2.056 18080 383 1 2 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.475 -0.064 18080 384 1 2 . 1 1 42 42 LYS CA C 42 53.997 53.997 55.424 -1.427 18080 385 1 2 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.172 -1.755 18080 386 1 2 . 1 1 42 42 LYS H H 42 8.056 8.056 7.458 0.598 18080 387 1 3 . 1 1 2 2 SER N N 2 116.055 116.055 117.115 -1.060 18080 388 1 3 . 1 1 2 2 SER HA H 2 4.722 4.722 4.554 0.168 18080 389 1 3 . 1 1 2 2 SER CA C 2 56.168 56.168 58.114 -1.946 18080 390 1 3 . 1 1 2 2 SER H H 2 8.902 8.902 8.086 0.816 18080 391 1 3 . 1 1 3 3 GLN N N 3 123.740 123.740 121.905 1.835 18080 392 1 3 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.511 -0.182 18080 393 1 3 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.714 -1.040 18080 394 1 3 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.477 -3.198 18080 395 1 3 . 1 1 3 3 GLN H H 3 8.817 8.817 8.548 0.269 18080 396 1 3 . 1 1 4 4 LYS N N 4 120.182 120.182 121.672 -1.490 18080 397 1 3 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.399 -0.113 18080 398 1 3 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.021 -1.365 18080 399 1 3 . 1 1 4 4 LYS CB C 4 30.427 30.427 33.345 -2.918 18080 400 1 3 . 1 1 4 4 LYS H H 4 8.442 8.442 8.520 -0.078 18080 401 1 3 . 1 1 5 5 LEU N N 5 119.225 119.225 121.864 -2.639 18080 402 1 3 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.277 0.056 18080 403 1 3 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.017 -2.538 18080 404 1 3 . 1 1 5 5 LEU CB C 5 39.457 39.457 42.228 -2.771 18080 405 1 3 . 1 1 5 5 LEU H H 5 8.181 8.181 8.270 -0.089 18080 406 1 3 . 1 1 6 6 VAL N N 6 118.118 118.118 119.420 -1.302 18080 407 1 3 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.642 0.217 18080 408 1 3 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.783 -4.300 18080 409 1 3 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.505 -1.887 18080 410 1 3 . 1 1 6 6 VAL H H 6 7.749 7.749 8.011 -0.262 18080 411 1 3 . 1 1 7 7 PHE N N 7 119.494 119.494 120.578 -1.084 18080 412 1 3 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.138 0.373 18080 413 1 3 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.022 -4.006 18080 414 1 3 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.694 -2.511 18080 415 1 3 . 1 1 7 7 PHE H H 7 7.989 7.989 8.102 -0.113 18080 416 1 3 . 1 1 8 8 PHE N N 8 118.388 118.388 119.760 -1.372 18080 417 1 3 . 1 1 8 8 PHE HA H 8 4.445 4.445 3.935 0.510 18080 418 1 3 . 1 1 8 8 PHE CA C 8 57.437 57.437 60.748 -3.311 18080 419 1 3 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.725 -2.091 18080 420 1 3 . 1 1 8 8 PHE H H 8 8.031 8.031 7.737 0.294 18080 421 1 3 . 1 1 9 9 ALA N N 9 120.899 120.899 121.126 -0.227 18080 422 1 3 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.849 0.216 18080 423 1 3 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.270 -3.243 18080 424 1 3 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.037 -1.847 18080 425 1 3 . 1 1 9 9 ALA H H 9 8.246 8.246 8.386 -0.140 18080 426 1 3 . 1 1 10 10 GLU N N 10 115.098 115.098 117.554 -2.456 18080 427 1 3 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.045 0.194 18080 428 1 3 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.389 -3.357 18080 429 1 3 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.458 -3.425 18080 430 1 3 . 1 1 10 10 GLU H H 10 8.167 8.167 8.244 -0.077 18080 431 1 3 . 1 1 11 11 ASP N N 11 118.059 118.059 119.492 -1.433 18080 432 1 3 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.311 0.400 18080 433 1 3 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.433 -4.400 18080 434 1 3 . 1 1 11 11 ASP H H 11 8.174 8.174 7.923 0.251 18080 435 1 3 . 1 1 12 12 VAL N N 12 116.474 116.474 117.100 -0.626 18080 436 1 3 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.702 0.357 18080 437 1 3 . 1 1 12 12 VAL CA C 12 61.057 61.057 64.419 -3.362 18080 438 1 3 . 1 1 12 12 VAL CB C 12 29.513 29.513 31.695 -2.182 18080 439 1 3 . 1 1 12 12 VAL H H 12 7.846 7.846 7.550 0.296 18080 440 1 3 . 1 1 13 13 GLY N N 13 107.383 107.383 105.766 1.617 18080 441 1 3 . 1 1 13 13 GLY CA C 13 43.545 43.545 43.911 -0.366 18080 442 1 3 . 1 1 13 13 GLY H H 13 8.163 8.163 7.340 0.823 18080 443 1 3 . 1 1 14 14 SER N N 14 113.723 113.723 113.544 0.179 18080 444 1 3 . 1 1 14 14 SER HA H 14 4.567 4.567 4.446 0.121 18080 445 1 3 . 1 1 14 14 SER CA C 14 56.065 56.065 58.298 -2.233 18080 446 1 3 . 1 1 14 14 SER CB C 14 61.566 61.566 64.379 -2.813 18080 447 1 3 . 1 1 14 14 SER H H 14 8.031 8.031 8.030 0.001 18080 448 1 3 . 1 1 15 15 ASN N N 15 120.384 120.384 118.330 2.054 18080 449 1 3 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.822 0.067 18080 450 1 3 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.946 -2.741 18080 451 1 3 . 1 1 15 15 ASN CB C 15 36.680 36.680 39.590 -2.910 18080 452 1 3 . 1 1 15 15 ASN H H 15 8.334 8.334 8.158 0.176 18080 453 1 3 . 1 1 16 16 LYS N N 16 121.348 121.348 117.334 4.014 18080 454 1 3 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.367 -0.208 18080 455 1 3 . 1 1 16 16 LYS CA C 16 56.438 56.438 56.930 -0.492 18080 456 1 3 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.918 -2.748 18080 457 1 3 . 1 1 16 16 LYS H H 16 8.610 8.610 7.748 0.862 18080 458 1 3 . 1 1 17 17 GLY N N 17 106.755 106.755 108.972 -2.217 18080 459 1 3 . 1 1 17 17 GLY CA C 17 44.775 44.775 47.118 -2.344 18080 460 1 3 . 1 1 17 17 GLY H H 17 8.620 8.620 8.366 0.254 18080 461 1 3 . 1 1 18 18 ALA N N 18 122.574 122.574 124.999 -2.425 18080 462 1 3 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.064 0.136 18080 463 1 3 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.720 -2.308 18080 464 1 3 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.443 -2.231 18080 465 1 3 . 1 1 18 18 ALA H H 18 8.099 8.099 8.392 -0.293 18080 466 1 3 . 1 1 19 19 ILE N N 19 116.264 116.264 119.550 -3.286 18080 467 1 3 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.562 0.336 18080 468 1 3 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.564 -3.793 18080 469 1 3 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.755 -2.621 18080 470 1 3 . 1 1 19 19 ILE H H 19 7.899 7.899 7.376 0.523 18080 471 1 3 . 1 1 20 20 ILE N N 20 119.344 119.344 119.449 -0.105 18080 472 1 3 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.573 0.266 18080 473 1 3 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.038 -3.423 18080 474 1 3 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.322 -2.350 18080 475 1 3 . 1 1 20 20 ILE H H 20 8.210 8.210 7.339 0.871 18080 476 1 3 . 1 1 21 21 GLY N N 21 106.546 106.546 107.327 -0.781 18080 477 1 3 . 1 1 21 21 GLY CA C 21 45.299 45.299 46.993 -1.694 18080 478 1 3 . 1 1 21 21 GLY H H 21 8.531 8.531 8.152 0.379 18080 479 1 3 . 1 1 22 22 LEU N N 22 120.869 120.869 123.107 -2.238 18080 480 1 3 . 1 1 22 22 LEU HA H 22 4.122 4.122 3.943 0.179 18080 481 1 3 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.905 -2.011 18080 482 1 3 . 1 1 22 22 LEU CB C 22 39.708 39.708 42.083 -2.375 18080 483 1 3 . 1 1 22 22 LEU H H 22 8.310 8.310 8.344 -0.034 18080 484 1 3 . 1 1 23 23 MET N N 23 117.191 117.191 118.412 -1.221 18080 485 1 3 . 1 1 23 23 MET HA H 23 4.167 4.167 4.018 0.149 18080 486 1 3 . 1 1 23 23 MET CA C 23 56.961 56.961 59.926 -2.965 18080 487 1 3 . 1 1 23 23 MET CB C 23 30.421 30.421 32.881 -2.460 18080 488 1 3 . 1 1 23 23 MET H H 23 8.263 8.263 8.007 0.256 18080 489 1 3 . 1 1 24 24 VAL N N 24 117.660 117.660 118.301 -0.641 18080 490 1 3 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.581 0.020 18080 491 1 3 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.834 -2.153 18080 492 1 3 . 1 1 24 24 VAL CB C 24 28.867 28.867 31.266 -2.399 18080 493 1 3 . 1 1 24 24 VAL H H 24 8.682 8.682 8.710 -0.028 18080 494 1 3 . 1 1 25 25 GLY N N 25 106.038 106.038 107.225 -1.187 18080 495 1 3 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.022 -1.959 18080 496 1 3 . 1 1 25 25 GLY H H 25 8.774 8.774 8.149 0.625 18080 497 1 3 . 1 1 26 26 GLY N N 26 108.191 108.191 110.420 -2.229 18080 498 1 3 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.834 -1.866 18080 499 1 3 . 1 1 26 26 GLY H H 26 8.806 8.806 8.067 0.739 18080 500 1 3 . 1 1 27 27 VAL N N 27 120.729 120.729 122.907 -2.178 18080 501 1 3 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.656 0.041 18080 502 1 3 . 1 1 27 27 VAL CA C 27 64.557 64.557 67.004 -2.447 18080 503 1 3 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.798 -2.962 18080 504 1 3 . 1 1 27 27 VAL H H 27 8.280 8.280 8.034 0.246 18080 505 1 3 . 1 1 28 28 VAL N N 28 122.275 122.275 120.496 1.779 18080 506 1 3 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.716 -0.153 18080 507 1 3 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.843 -1.563 18080 508 1 3 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.584 -2.745 18080 509 1 3 . 1 1 28 28 VAL H H 28 8.577 8.577 7.771 0.806 18080 510 1 3 . 1 1 29 29 ILE N N 29 118.627 118.627 119.417 -0.790 18080 511 1 3 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.558 0.103 18080 512 1 3 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.604 -2.473 18080 513 1 3 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.344 -2.575 18080 514 1 3 . 1 1 29 29 ILE H H 29 8.527 8.527 8.247 0.280 18080 515 1 3 . 1 1 30 30 ALA N N 30 120.541 120.541 121.516 -0.975 18080 516 1 3 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.922 0.051 18080 517 1 3 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.614 -2.232 18080 518 1 3 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.082 -2.528 18080 519 1 3 . 1 1 30 30 ALA H H 30 8.645 8.645 7.969 0.676 18080 520 1 3 . 1 1 31 31 THR N N 31 113.932 113.932 113.100 0.832 18080 521 1 3 . 1 1 31 31 THR HA H 31 3.775 3.775 3.851 -0.076 18080 522 1 3 . 1 1 31 31 THR CA C 31 66.027 66.027 66.060 -0.033 18080 523 1 3 . 1 1 31 31 THR CB C 31 65.255 65.255 68.675 -3.420 18080 524 1 3 . 1 1 31 31 THR H H 31 8.238 8.238 8.205 0.033 18080 525 1 3 . 1 1 32 32 VAL N N 32 120.206 120.206 122.448 -2.242 18080 526 1 3 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.624 -0.015 18080 527 1 3 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.595 -1.926 18080 528 1 3 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.026 -2.131 18080 529 1 3 . 1 1 32 32 VAL H H 32 8.324 8.324 7.965 0.359 18080 530 1 3 . 1 1 33 33 ILE N N 33 121.976 121.976 119.788 2.188 18080 531 1 3 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.860 -0.203 18080 532 1 3 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.878 -0.037 18080 533 1 3 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.394 -1.479 18080 534 1 3 . 1 1 33 33 ILE H H 33 8.520 8.520 8.075 0.445 18080 535 1 3 . 1 1 34 34 VAL N N 34 119.099 119.099 120.613 -1.514 18080 536 1 3 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.626 0.012 18080 537 1 3 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.272 -1.594 18080 538 1 3 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.183 -2.367 18080 539 1 3 . 1 1 34 34 VAL H H 34 8.539 8.539 8.005 0.534 18080 540 1 3 . 1 1 35 35 ILE N N 35 117.727 117.727 119.485 -1.758 18080 541 1 3 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.607 0.059 18080 542 1 3 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.581 -2.245 18080 543 1 3 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.631 -2.571 18080 544 1 3 . 1 1 35 35 ILE H H 35 8.690 8.690 8.368 0.322 18080 545 1 3 . 1 1 36 36 THR N N 36 116.743 116.743 114.975 1.768 18080 546 1 3 . 1 1 36 36 THR HA H 36 3.776 3.776 3.905 -0.129 18080 547 1 3 . 1 1 36 36 THR CA C 36 66.196 66.196 65.955 0.241 18080 548 1 3 . 1 1 36 36 THR CB C 36 65.191 65.191 68.941 -3.750 18080 549 1 3 . 1 1 36 36 THR H H 36 8.267 8.267 8.183 0.084 18080 550 1 3 . 1 1 37 37 LEU N N 37 120.103 120.103 123.261 -3.158 18080 551 1 3 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.004 0.118 18080 552 1 3 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.770 -1.701 18080 553 1 3 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.509 -1.834 18080 554 1 3 . 1 1 37 37 LEU H H 37 8.439 8.439 8.006 0.433 18080 555 1 3 . 1 1 38 38 VAL N N 38 117.700 117.700 118.338 -0.638 18080 556 1 3 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.438 0.284 18080 557 1 3 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.828 -2.561 18080 558 1 3 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.686 -2.744 18080 559 1 3 . 1 1 38 38 VAL H H 38 8.470 8.470 8.126 0.344 18080 560 1 3 . 1 1 39 39 MET N N 39 117.431 117.431 116.166 1.265 18080 561 1 3 . 1 1 39 39 MET HA H 39 4.351 4.351 4.347 0.004 18080 562 1 3 . 1 1 39 39 MET CA C 39 55.609 55.609 58.231 -2.622 18080 563 1 3 . 1 1 39 39 MET CB C 39 29.560 29.560 32.657 -3.098 18080 564 1 3 . 1 1 39 39 MET H H 39 8.513 8.513 7.899 0.614 18080 565 1 3 . 1 1 40 40 LEU N N 40 117.760 117.760 120.009 -2.249 18080 566 1 3 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.048 0.281 18080 567 1 3 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.694 -3.385 18080 568 1 3 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.709 -2.015 18080 569 1 3 . 1 1 40 40 LEU H H 40 8.399 8.399 8.197 0.202 18080 570 1 3 . 1 1 41 41 LYS N N 41 117.042 117.042 115.981 1.061 18080 571 1 3 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.205 0.138 18080 572 1 3 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.282 -2.907 18080 573 1 3 . 1 1 41 41 LYS CB C 41 30.149 30.149 33.336 -3.187 18080 574 1 3 . 1 1 41 41 LYS H H 41 7.928 7.928 7.624 0.304 18080 575 1 3 . 1 1 42 42 LYS N N 42 119.285 119.285 116.728 2.557 18080 576 1 3 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.483 -0.072 18080 577 1 3 . 1 1 42 42 LYS CA C 42 53.997 53.997 56.150 -2.152 18080 578 1 3 . 1 1 42 42 LYS CB C 42 30.417 30.417 34.409 -3.992 18080 579 1 3 . 1 1 42 42 LYS H H 42 8.056 8.056 7.617 0.439 18080 580 1 4 . 1 1 2 2 SER N N 2 116.055 116.055 116.737 -0.682 18080 581 1 4 . 1 1 2 2 SER HA H 2 4.722 4.722 4.673 0.049 18080 582 1 4 . 1 1 2 2 SER CA C 2 56.168 56.168 58.920 -2.752 18080 583 1 4 . 1 1 2 2 SER H H 2 8.902 8.902 8.444 0.458 18080 584 1 4 . 1 1 3 3 GLN N N 3 123.740 123.740 121.368 2.372 18080 585 1 4 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.626 -0.297 18080 586 1 4 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.993 -1.319 18080 587 1 4 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.863 -3.584 18080 588 1 4 . 1 1 3 3 GLN H H 3 8.817 8.817 8.463 0.354 18080 589 1 4 . 1 1 4 4 LYS N N 4 120.182 120.182 119.979 0.203 18080 590 1 4 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.295 -0.009 18080 591 1 4 . 1 1 4 4 LYS CA C 4 55.656 55.656 56.618 -0.962 18080 592 1 4 . 1 1 4 4 LYS CB C 4 30.427 30.427 33.159 -2.732 18080 593 1 4 . 1 1 4 4 LYS H H 4 8.442 8.442 8.098 0.344 18080 594 1 4 . 1 1 5 5 LEU N N 5 119.225 119.225 122.384 -3.159 18080 595 1 4 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.488 -0.155 18080 596 1 4 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.236 -2.757 18080 597 1 4 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.567 -2.110 18080 598 1 4 . 1 1 5 5 LEU H H 5 8.181 8.181 8.042 0.139 18080 599 1 4 . 1 1 6 6 VAL N N 6 118.118 118.118 119.207 -1.089 18080 600 1 4 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.727 0.132 18080 601 1 4 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.632 -4.149 18080 602 1 4 . 1 1 6 6 VAL CB C 6 29.618 29.618 30.945 -1.327 18080 603 1 4 . 1 1 6 6 VAL H H 6 7.749 7.749 8.096 -0.347 18080 604 1 4 . 1 1 7 7 PHE N N 7 119.494 119.494 119.069 0.425 18080 605 1 4 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.029 0.482 18080 606 1 4 . 1 1 7 7 PHE CA C 7 57.016 57.016 62.011 -4.995 18080 607 1 4 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.238 -2.055 18080 608 1 4 . 1 1 7 7 PHE H H 7 7.989 7.989 8.230 -0.241 18080 609 1 4 . 1 1 8 8 PHE N N 8 118.388 118.388 117.580 0.808 18080 610 1 4 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.196 0.249 18080 611 1 4 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.370 -3.933 18080 612 1 4 . 1 1 8 8 PHE CB C 8 36.634 36.634 37.868 -1.234 18080 613 1 4 . 1 1 8 8 PHE H H 8 8.031 8.031 7.536 0.495 18080 614 1 4 . 1 1 9 9 ALA N N 9 120.899 120.899 122.479 -1.580 18080 615 1 4 . 1 1 9 9 ALA HA H 9 4.066 4.066 4.023 0.043 18080 616 1 4 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.568 -3.541 18080 617 1 4 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.008 -1.818 18080 618 1 4 . 1 1 9 9 ALA H H 9 8.246 8.246 8.600 -0.354 18080 619 1 4 . 1 1 10 10 GLU N N 10 115.098 115.098 116.483 -1.385 18080 620 1 4 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.027 0.212 18080 621 1 4 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.682 -3.650 18080 622 1 4 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.698 -3.665 18080 623 1 4 . 1 1 10 10 GLU H H 10 8.167 8.167 8.076 0.091 18080 624 1 4 . 1 1 11 11 ASP N N 11 118.059 118.059 118.170 -0.111 18080 625 1 4 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.582 0.129 18080 626 1 4 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.666 -4.633 18080 627 1 4 . 1 1 11 11 ASP H H 11 8.174 8.174 8.089 0.085 18080 628 1 4 . 1 1 12 12 VAL N N 12 116.474 116.474 114.271 2.203 18080 629 1 4 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.242 -0.183 18080 630 1 4 . 1 1 12 12 VAL CA C 12 61.057 61.057 63.056 -1.999 18080 631 1 4 . 1 1 12 12 VAL CB C 12 29.513 29.513 31.719 -2.206 18080 632 1 4 . 1 1 12 12 VAL H H 12 7.846 7.846 8.083 -0.237 18080 633 1 4 . 1 1 13 13 GLY N N 13 107.383 107.383 109.975 -2.592 18080 634 1 4 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.578 -2.033 18080 635 1 4 . 1 1 13 13 GLY H H 13 8.163 8.163 7.820 0.343 18080 636 1 4 . 1 1 14 14 SER N N 14 113.723 113.723 119.692 -5.969 18080 637 1 4 . 1 1 14 14 SER HA H 14 4.567 4.567 4.566 0.001 18080 638 1 4 . 1 1 14 14 SER CA C 14 56.065 56.065 57.682 -1.617 18080 639 1 4 . 1 1 14 14 SER CB C 14 61.566 61.566 64.063 -2.497 18080 640 1 4 . 1 1 14 14 SER H H 14 8.031 8.031 8.078 -0.047 18080 641 1 4 . 1 1 15 15 ASN N N 15 120.384 120.384 118.350 2.034 18080 642 1 4 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.866 0.023 18080 643 1 4 . 1 1 15 15 ASN CA C 15 51.205 51.205 52.556 -1.351 18080 644 1 4 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.180 -1.500 18080 645 1 4 . 1 1 15 15 ASN H H 15 8.334 8.334 8.424 -0.090 18080 646 1 4 . 1 1 16 16 LYS N N 16 121.348 121.348 121.579 -0.231 18080 647 1 4 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.038 0.121 18080 648 1 4 . 1 1 16 16 LYS CA C 16 56.438 56.438 59.305 -2.867 18080 649 1 4 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.050 -1.879 18080 650 1 4 . 1 1 16 16 LYS H H 16 8.610 8.610 8.147 0.463 18080 651 1 4 . 1 1 17 17 GLY N N 17 106.755 106.755 107.518 -0.763 18080 652 1 4 . 1 1 17 17 GLY CA C 17 44.775 44.775 47.165 -2.390 18080 653 1 4 . 1 1 17 17 GLY H H 17 8.620 8.620 8.675 -0.055 18080 654 1 4 . 1 1 18 18 ALA N N 18 122.574 122.574 124.855 -2.281 18080 655 1 4 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.058 0.142 18080 656 1 4 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.730 -2.318 18080 657 1 4 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.431 -2.219 18080 658 1 4 . 1 1 18 18 ALA H H 18 8.099 8.099 7.474 0.625 18080 659 1 4 . 1 1 19 19 ILE N N 19 116.264 116.264 119.164 -2.900 18080 660 1 4 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.521 0.377 18080 661 1 4 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.523 -3.753 18080 662 1 4 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.796 -2.662 18080 663 1 4 . 1 1 19 19 ILE H H 19 7.899 7.899 7.329 0.570 18080 664 1 4 . 1 1 20 20 ILE N N 20 119.344 119.344 119.567 -0.223 18080 665 1 4 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.576 0.263 18080 666 1 4 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.041 -3.426 18080 667 1 4 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.430 -2.458 18080 668 1 4 . 1 1 20 20 ILE H H 20 8.210 8.210 8.021 0.189 18080 669 1 4 . 1 1 21 21 GLY N N 21 106.546 106.546 107.513 -0.967 18080 670 1 4 . 1 1 21 21 GLY CA C 21 45.299 45.299 46.994 -1.695 18080 671 1 4 . 1 1 21 21 GLY H H 21 8.531 8.531 8.255 0.277 18080 672 1 4 . 1 1 22 22 LEU N N 22 120.869 120.869 123.586 -2.717 18080 673 1 4 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.123 -0.001 18080 674 1 4 . 1 1 22 22 LEU CA C 22 55.894 55.894 58.009 -2.115 18080 675 1 4 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.523 -1.815 18080 676 1 4 . 1 1 22 22 LEU H H 22 8.310 8.310 8.418 -0.108 18080 677 1 4 . 1 1 23 23 MET N N 23 117.191 117.191 118.509 -1.318 18080 678 1 4 . 1 1 23 23 MET HA H 23 4.167 4.167 4.159 0.008 18080 679 1 4 . 1 1 23 23 MET CA C 23 56.961 56.961 58.325 -1.364 18080 680 1 4 . 1 1 23 23 MET CB C 23 30.421 30.421 31.803 -1.382 18080 681 1 4 . 1 1 23 23 MET H H 23 8.263 8.263 8.147 0.116 18080 682 1 4 . 1 1 24 24 VAL N N 24 117.660 117.660 117.896 -0.236 18080 683 1 4 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.686 -0.085 18080 684 1 4 . 1 1 24 24 VAL CA C 24 64.681 64.681 67.084 -2.403 18080 685 1 4 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.592 -1.725 18080 686 1 4 . 1 1 24 24 VAL H H 24 8.682 8.682 8.716 -0.034 18080 687 1 4 . 1 1 25 25 GLY N N 25 106.038 106.038 107.566 -1.528 18080 688 1 4 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.092 -2.029 18080 689 1 4 . 1 1 25 25 GLY H H 25 8.774 8.774 8.258 0.516 18080 690 1 4 . 1 1 26 26 GLY N N 26 108.191 108.191 110.354 -2.163 18080 691 1 4 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.832 -1.864 18080 692 1 4 . 1 1 26 26 GLY H H 26 8.806 8.806 8.038 0.768 18080 693 1 4 . 1 1 27 27 VAL N N 27 120.729 120.729 122.646 -1.917 18080 694 1 4 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.614 0.083 18080 695 1 4 . 1 1 27 27 VAL CA C 27 64.557 64.557 66.700 -2.143 18080 696 1 4 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.565 -2.729 18080 697 1 4 . 1 1 27 27 VAL H H 27 8.280 8.280 8.112 0.168 18080 698 1 4 . 1 1 28 28 VAL N N 28 122.275 122.275 120.246 2.029 18080 699 1 4 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.636 -0.073 18080 700 1 4 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.844 -1.564 18080 701 1 4 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.244 -2.405 18080 702 1 4 . 1 1 28 28 VAL H H 28 8.577 8.577 7.774 0.803 18080 703 1 4 . 1 1 29 29 ILE N N 29 118.627 118.627 119.392 -0.765 18080 704 1 4 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.541 0.120 18080 705 1 4 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.622 -2.491 18080 706 1 4 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.312 -2.543 18080 707 1 4 . 1 1 29 29 ILE H H 29 8.527 8.527 8.157 0.370 18080 708 1 4 . 1 1 30 30 ALA N N 30 120.541 120.541 121.723 -1.182 18080 709 1 4 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.891 0.082 18080 710 1 4 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.495 -2.113 18080 711 1 4 . 1 1 30 30 ALA CB C 30 15.554 15.554 17.986 -2.432 18080 712 1 4 . 1 1 30 30 ALA H H 30 8.645 8.645 8.077 0.568 18080 713 1 4 . 1 1 31 31 THR N N 31 113.932 113.932 116.074 -2.142 18080 714 1 4 . 1 1 31 31 THR HA H 31 3.775 3.775 3.880 -0.105 18080 715 1 4 . 1 1 31 31 THR CA C 31 66.027 66.027 67.327 -1.300 18080 716 1 4 . 1 1 31 31 THR CB C 31 65.255 65.255 68.743 -3.487 18080 717 1 4 . 1 1 31 31 THR H H 31 8.238 8.238 8.168 0.070 18080 718 1 4 . 1 1 32 32 VAL N N 32 120.206 120.206 121.902 -1.696 18080 719 1 4 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.657 -0.048 18080 720 1 4 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.884 -2.215 18080 721 1 4 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.170 -2.275 18080 722 1 4 . 1 1 32 32 VAL H H 32 8.324 8.324 8.120 0.204 18080 723 1 4 . 1 1 33 33 ILE N N 33 121.976 121.976 119.878 2.098 18080 724 1 4 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.867 -0.210 18080 725 1 4 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.823 0.018 18080 726 1 4 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.336 -1.421 18080 727 1 4 . 1 1 33 33 ILE H H 33 8.520 8.520 8.069 0.451 18080 728 1 4 . 1 1 34 34 VAL N N 34 119.099 119.099 120.637 -1.538 18080 729 1 4 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.652 -0.014 18080 730 1 4 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.062 -1.385 18080 731 1 4 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.072 -2.256 18080 732 1 4 . 1 1 34 34 VAL H H 34 8.539 8.539 8.027 0.512 18080 733 1 4 . 1 1 35 35 ILE N N 35 117.727 117.727 119.601 -1.874 18080 734 1 4 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.620 0.046 18080 735 1 4 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.560 -2.224 18080 736 1 4 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.601 -2.541 18080 737 1 4 . 1 1 35 35 ILE H H 35 8.690 8.690 8.374 0.316 18080 738 1 4 . 1 1 36 36 THR N N 36 116.743 116.743 114.678 2.065 18080 739 1 4 . 1 1 36 36 THR HA H 36 3.776 3.776 3.964 -0.188 18080 740 1 4 . 1 1 36 36 THR CA C 36 66.196 66.196 65.719 0.477 18080 741 1 4 . 1 1 36 36 THR CB C 36 65.191 65.191 68.838 -3.647 18080 742 1 4 . 1 1 36 36 THR H H 36 8.267 8.267 8.145 0.122 18080 743 1 4 . 1 1 37 37 LEU N N 37 120.103 120.103 122.852 -2.749 18080 744 1 4 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.010 0.112 18080 745 1 4 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.906 -1.837 18080 746 1 4 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.590 -1.915 18080 747 1 4 . 1 1 37 37 LEU H H 37 8.439 8.439 8.008 0.431 18080 748 1 4 . 1 1 38 38 VAL N N 38 117.700 117.700 119.222 -1.522 18080 749 1 4 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.619 0.103 18080 750 1 4 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.306 -2.039 18080 751 1 4 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.258 -2.316 18080 752 1 4 . 1 1 38 38 VAL H H 38 8.470 8.470 8.354 0.116 18080 753 1 4 . 1 1 39 39 MET N N 39 117.431 117.431 118.263 -0.832 18080 754 1 4 . 1 1 39 39 MET HA H 39 4.351 4.351 4.391 -0.040 18080 755 1 4 . 1 1 39 39 MET CA C 39 55.609 55.609 58.752 -3.143 18080 756 1 4 . 1 1 39 39 MET CB C 39 29.560 29.560 32.428 -2.868 18080 757 1 4 . 1 1 39 39 MET H H 39 8.513 8.513 8.226 0.287 18080 758 1 4 . 1 1 40 40 LEU N N 40 117.760 117.760 118.182 -0.422 18080 759 1 4 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.119 0.210 18080 760 1 4 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.089 -2.780 18080 761 1 4 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.999 -2.305 18080 762 1 4 . 1 1 40 40 LEU H H 40 8.399 8.399 8.025 0.374 18080 763 1 4 . 1 1 41 41 LYS N N 41 117.042 117.042 117.041 0.001 18080 764 1 4 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.282 0.061 18080 765 1 4 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.256 -2.881 18080 766 1 4 . 1 1 41 41 LYS CB C 41 30.149 30.149 33.568 -3.419 18080 767 1 4 . 1 1 41 41 LYS H H 41 7.928 7.928 7.514 0.414 18080 768 1 4 . 1 1 42 42 LYS N N 42 119.285 119.285 121.407 -2.122 18080 769 1 4 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.513 -0.102 18080 770 1 4 . 1 1 42 42 LYS CA C 42 53.997 53.997 54.626 -0.629 18080 771 1 4 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.528 -2.111 18080 772 1 4 . 1 1 42 42 LYS H H 42 8.056 8.056 8.046 0.010 18080 773 1 5 . 1 1 2 2 SER N N 2 116.055 116.055 115.695 0.360 18080 774 1 5 . 1 1 2 2 SER HA H 2 4.722 4.722 4.614 0.108 18080 775 1 5 . 1 1 2 2 SER CA C 2 56.168 56.168 57.632 -1.464 18080 776 1 5 . 1 1 2 2 SER H H 2 8.902 8.902 7.902 1.000 18080 777 1 5 . 1 1 3 3 GLN N N 3 123.740 123.740 119.531 4.209 18080 778 1 5 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.502 -0.173 18080 779 1 5 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.882 -1.208 18080 780 1 5 . 1 1 3 3 GLN CB C 3 26.279 26.279 28.924 -2.645 18080 781 1 5 . 1 1 3 3 GLN H H 3 8.817 8.817 8.694 0.123 18080 782 1 5 . 1 1 4 4 LYS N N 4 120.182 120.182 119.337 0.845 18080 783 1 5 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.678 -0.392 18080 784 1 5 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.002 -1.346 18080 785 1 5 . 1 1 4 4 LYS CB C 4 30.427 30.427 33.564 -3.137 18080 786 1 5 . 1 1 4 4 LYS H H 4 8.442 8.442 8.079 0.363 18080 787 1 5 . 1 1 5 5 LEU N N 5 119.225 119.225 121.496 -2.271 18080 788 1 5 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.269 0.064 18080 789 1 5 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.565 -3.086 18080 790 1 5 . 1 1 5 5 LEU CB C 5 39.457 39.457 42.274 -2.817 18080 791 1 5 . 1 1 5 5 LEU H H 5 8.181 8.181 8.297 -0.116 18080 792 1 5 . 1 1 6 6 VAL N N 6 118.118 118.118 120.240 -2.122 18080 793 1 5 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.648 0.211 18080 794 1 5 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.187 -3.704 18080 795 1 5 . 1 1 6 6 VAL CB C 6 29.618 29.618 30.545 -0.927 18080 796 1 5 . 1 1 6 6 VAL H H 6 7.749 7.749 8.150 -0.401 18080 797 1 5 . 1 1 7 7 PHE N N 7 119.494 119.494 118.959 0.535 18080 798 1 5 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.162 0.349 18080 799 1 5 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.710 -4.694 18080 800 1 5 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.280 -2.097 18080 801 1 5 . 1 1 7 7 PHE H H 7 7.989 7.989 7.897 0.092 18080 802 1 5 . 1 1 8 8 PHE N N 8 118.388 118.388 120.086 -1.698 18080 803 1 5 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.111 0.334 18080 804 1 5 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.368 -3.931 18080 805 1 5 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.977 -2.343 18080 806 1 5 . 1 1 8 8 PHE H H 8 8.031 8.031 7.818 0.213 18080 807 1 5 . 1 1 9 9 ALA N N 9 120.899 120.899 121.987 -1.088 18080 808 1 5 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.952 0.114 18080 809 1 5 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.173 -3.146 18080 810 1 5 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.101 -1.911 18080 811 1 5 . 1 1 9 9 ALA H H 9 8.246 8.246 8.453 -0.207 18080 812 1 5 . 1 1 10 10 GLU N N 10 115.098 115.098 117.518 -2.420 18080 813 1 5 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.054 0.185 18080 814 1 5 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.288 -3.256 18080 815 1 5 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.875 -3.842 18080 816 1 5 . 1 1 10 10 GLU H H 10 8.167 8.167 8.131 0.036 18080 817 1 5 . 1 1 11 11 ASP N N 11 118.059 118.059 118.537 -0.478 18080 818 1 5 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.449 0.262 18080 819 1 5 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.581 -4.548 18080 820 1 5 . 1 1 11 11 ASP H H 11 8.174 8.174 8.278 -0.104 18080 821 1 5 . 1 1 12 12 VAL N N 12 116.474 116.474 115.201 1.273 18080 822 1 5 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.081 -0.022 18080 823 1 5 . 1 1 12 12 VAL CA C 12 61.057 61.057 61.961 -0.904 18080 824 1 5 . 1 1 12 12 VAL CB C 12 29.513 29.513 34.106 -4.593 18080 825 1 5 . 1 1 12 12 VAL H H 12 7.846 7.846 7.616 0.230 18080 826 1 5 . 1 1 13 13 GLY N N 13 107.383 107.383 109.292 -1.909 18080 827 1 5 . 1 1 13 13 GLY CA C 13 43.545 43.545 44.695 -1.150 18080 828 1 5 . 1 1 13 13 GLY H H 13 8.163 8.163 7.303 0.860 18080 829 1 5 . 1 1 14 14 SER N N 14 113.723 113.723 120.169 -6.446 18080 830 1 5 . 1 1 14 14 SER HA H 14 4.567 4.567 4.591 -0.024 18080 831 1 5 . 1 1 14 14 SER CA C 14 56.065 56.065 57.809 -1.744 18080 832 1 5 . 1 1 14 14 SER CB C 14 61.566 61.566 63.090 -1.524 18080 833 1 5 . 1 1 14 14 SER H H 14 8.031 8.031 8.511 -0.480 18080 834 1 5 . 1 1 15 15 ASN N N 15 120.384 120.384 119.850 0.534 18080 835 1 5 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.458 0.431 18080 836 1 5 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.774 -2.569 18080 837 1 5 . 1 1 15 15 ASN CB C 15 36.680 36.680 37.816 -1.136 18080 838 1 5 . 1 1 15 15 ASN H H 15 8.334 8.334 8.693 -0.359 18080 839 1 5 . 1 1 16 16 LYS N N 16 121.348 121.348 121.335 0.013 18080 840 1 5 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.294 -0.135 18080 841 1 5 . 1 1 16 16 LYS CA C 16 56.438 56.438 57.918 -1.480 18080 842 1 5 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.662 -2.492 18080 843 1 5 . 1 1 16 16 LYS H H 16 8.610 8.610 8.297 0.313 18080 844 1 5 . 1 1 17 17 GLY N N 17 106.755 106.755 107.826 -1.071 18080 845 1 5 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.885 -2.110 18080 846 1 5 . 1 1 17 17 GLY H H 17 8.620 8.620 8.445 0.175 18080 847 1 5 . 1 1 18 18 ALA N N 18 122.574 122.574 125.410 -2.836 18080 848 1 5 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.112 0.088 18080 849 1 5 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.912 -2.500 18080 850 1 5 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.539 -2.327 18080 851 1 5 . 1 1 18 18 ALA H H 18 8.099 8.099 8.377 -0.278 18080 852 1 5 . 1 1 19 19 ILE N N 19 116.264 116.264 119.087 -2.823 18080 853 1 5 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.664 0.234 18080 854 1 5 . 1 1 19 19 ILE CA C 19 61.770 61.770 63.677 -1.907 18080 855 1 5 . 1 1 19 19 ILE CB C 19 35.134 35.134 36.818 -1.684 18080 856 1 5 . 1 1 19 19 ILE H H 19 7.899 7.899 7.511 0.388 18080 857 1 5 . 1 1 20 20 ILE N N 20 119.344 119.344 119.756 -0.412 18080 858 1 5 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.609 0.230 18080 859 1 5 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.045 -3.430 18080 860 1 5 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.420 -2.448 18080 861 1 5 . 1 1 20 20 ILE H H 20 8.210 8.210 7.461 0.749 18080 862 1 5 . 1 1 21 21 GLY N N 21 106.546 106.546 107.472 -0.926 18080 863 1 5 . 1 1 21 21 GLY CA C 21 45.299 45.299 46.986 -1.687 18080 864 1 5 . 1 1 21 21 GLY H H 21 8.531 8.531 8.266 0.265 18080 865 1 5 . 1 1 22 22 LEU N N 22 120.869 120.869 123.629 -2.760 18080 866 1 5 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.124 -0.002 18080 867 1 5 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.981 -2.087 18080 868 1 5 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.514 -1.806 18080 869 1 5 . 1 1 22 22 LEU H H 22 8.310 8.310 8.397 -0.087 18080 870 1 5 . 1 1 23 23 MET N N 23 117.191 117.191 118.515 -1.324 18080 871 1 5 . 1 1 23 23 MET HA H 23 4.167 4.167 4.156 0.011 18080 872 1 5 . 1 1 23 23 MET CA C 23 56.961 56.961 58.448 -1.487 18080 873 1 5 . 1 1 23 23 MET CB C 23 30.421 30.421 31.852 -1.431 18080 874 1 5 . 1 1 23 23 MET H H 23 8.263 8.263 8.160 0.103 18080 875 1 5 . 1 1 24 24 VAL N N 24 117.660 117.660 117.894 -0.234 18080 876 1 5 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.697 -0.096 18080 877 1 5 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.930 -2.249 18080 878 1 5 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.520 -1.653 18080 879 1 5 . 1 1 24 24 VAL H H 24 8.682 8.682 8.689 -0.007 18080 880 1 5 . 1 1 25 25 GLY N N 25 106.038 106.038 107.582 -1.544 18080 881 1 5 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.088 -2.025 18080 882 1 5 . 1 1 25 25 GLY H H 25 8.774 8.774 8.264 0.510 18080 883 1 5 . 1 1 26 26 GLY N N 26 108.191 108.191 110.173 -1.982 18080 884 1 5 . 1 1 26 26 GLY CA C 26 44.968 44.968 47.029 -2.062 18080 885 1 5 . 1 1 26 26 GLY H H 26 8.806 8.806 8.098 0.708 18080 886 1 5 . 1 1 27 27 VAL N N 27 120.729 120.729 122.660 -1.931 18080 887 1 5 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.769 -0.072 18080 888 1 5 . 1 1 27 27 VAL CA C 27 64.557 64.557 65.052 -0.495 18080 889 1 5 . 1 1 27 27 VAL CB C 27 28.836 28.836 30.779 -1.943 18080 890 1 5 . 1 1 27 27 VAL H H 27 8.280 8.280 8.144 0.136 18080 891 1 5 . 1 1 28 28 VAL N N 28 122.275 122.275 120.490 1.785 18080 892 1 5 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.670 -0.107 18080 893 1 5 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.510 -1.230 18080 894 1 5 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.015 -2.176 18080 895 1 5 . 1 1 28 28 VAL H H 28 8.577 8.577 7.830 0.747 18080 896 1 5 . 1 1 29 29 ILE N N 29 118.627 118.627 119.512 -0.885 18080 897 1 5 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.635 0.026 18080 898 1 5 . 1 1 29 29 ILE CA C 29 63.131 63.131 64.113 -0.982 18080 899 1 5 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.209 -1.440 18080 900 1 5 . 1 1 29 29 ILE H H 29 8.527 8.527 8.237 0.290 18080 901 1 5 . 1 1 30 30 ALA N N 30 120.541 120.541 122.070 -1.529 18080 902 1 5 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.914 0.059 18080 903 1 5 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.498 -2.116 18080 904 1 5 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.158 -2.604 18080 905 1 5 . 1 1 30 30 ALA H H 30 8.645 8.645 8.127 0.518 18080 906 1 5 . 1 1 31 31 THR N N 31 113.932 113.932 116.158 -2.226 18080 907 1 5 . 1 1 31 31 THR HA H 31 3.775 3.775 3.883 -0.108 18080 908 1 5 . 1 1 31 31 THR CA C 31 66.027 66.027 67.257 -1.230 18080 909 1 5 . 1 1 31 31 THR CB C 31 65.255 65.255 68.726 -3.471 18080 910 1 5 . 1 1 31 31 THR H H 31 8.238 8.238 8.190 0.048 18080 911 1 5 . 1 1 32 32 VAL N N 32 120.206 120.206 121.502 -1.296 18080 912 1 5 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.673 -0.064 18080 913 1 5 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.270 -1.601 18080 914 1 5 . 1 1 32 32 VAL CB C 32 28.895 28.895 30.908 -2.013 18080 915 1 5 . 1 1 32 32 VAL H H 32 8.324 8.324 8.075 0.249 18080 916 1 5 . 1 1 33 33 ILE N N 33 121.976 121.976 119.767 2.209 18080 917 1 5 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.757 -0.100 18080 918 1 5 . 1 1 33 33 ILE CA C 33 63.841 63.841 65.152 -1.311 18080 919 1 5 . 1 1 33 33 ILE CB C 33 34.915 34.915 37.474 -2.559 18080 920 1 5 . 1 1 33 33 ILE H H 33 8.520 8.520 8.092 0.428 18080 921 1 5 . 1 1 34 34 VAL N N 34 119.099 119.099 120.667 -1.568 18080 922 1 5 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.667 -0.029 18080 923 1 5 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.733 -1.055 18080 924 1 5 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.006 -2.190 18080 925 1 5 . 1 1 34 34 VAL H H 34 8.539 8.539 7.988 0.551 18080 926 1 5 . 1 1 35 35 ILE N N 35 117.727 117.727 119.709 -1.982 18080 927 1 5 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.749 -0.083 18080 928 1 5 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.397 -1.061 18080 929 1 5 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.479 -1.419 18080 930 1 5 . 1 1 35 35 ILE H H 35 8.690 8.690 8.442 0.248 18080 931 1 5 . 1 1 36 36 THR N N 36 116.743 116.743 114.643 2.100 18080 932 1 5 . 1 1 36 36 THR HA H 36 3.776 3.776 3.969 -0.193 18080 933 1 5 . 1 1 36 36 THR CA C 36 66.196 66.196 65.740 0.456 18080 934 1 5 . 1 1 36 36 THR CB C 36 65.191 65.191 68.847 -3.656 18080 935 1 5 . 1 1 36 36 THR H H 36 8.267 8.267 8.192 0.075 18080 936 1 5 . 1 1 37 37 LEU N N 37 120.103 120.103 122.965 -2.862 18080 937 1 5 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.011 0.111 18080 938 1 5 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.853 -1.784 18080 939 1 5 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.623 -1.948 18080 940 1 5 . 1 1 37 37 LEU H H 37 8.439 8.439 7.996 0.443 18080 941 1 5 . 1 1 38 38 VAL N N 38 117.700 117.700 119.275 -1.575 18080 942 1 5 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.573 0.149 18080 943 1 5 . 1 1 38 38 VAL CA C 38 64.267 64.267 67.262 -2.995 18080 944 1 5 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.604 -2.662 18080 945 1 5 . 1 1 38 38 VAL H H 38 8.470 8.470 8.343 0.127 18080 946 1 5 . 1 1 39 39 MET N N 39 117.431 117.431 117.953 -0.522 18080 947 1 5 . 1 1 39 39 MET HA H 39 4.351 4.351 4.179 0.172 18080 948 1 5 . 1 1 39 39 MET CA C 39 55.609 55.609 58.783 -3.174 18080 949 1 5 . 1 1 39 39 MET CB C 39 29.560 29.560 32.532 -2.973 18080 950 1 5 . 1 1 39 39 MET H H 39 8.513 8.513 8.125 0.388 18080 951 1 5 . 1 1 40 40 LEU N N 40 117.760 117.760 118.866 -1.106 18080 952 1 5 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.161 0.168 18080 953 1 5 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.077 -2.768 18080 954 1 5 . 1 1 40 40 LEU CB C 40 39.694 39.694 42.383 -2.689 18080 955 1 5 . 1 1 40 40 LEU H H 40 8.399 8.399 7.991 0.408 18080 956 1 5 . 1 1 41 41 LYS N N 41 117.042 117.042 119.087 -2.045 18080 957 1 5 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.213 0.130 18080 958 1 5 . 1 1 41 41 LYS CA C 41 54.375 54.375 56.901 -2.526 18080 959 1 5 . 1 1 41 41 LYS CB C 41 30.149 30.149 33.492 -3.342 18080 960 1 5 . 1 1 41 41 LYS H H 41 7.928 7.928 7.503 0.425 18080 961 1 5 . 1 1 42 42 LYS N N 42 119.285 119.285 121.853 -2.568 18080 962 1 5 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.181 0.230 18080 963 1 5 . 1 1 42 42 LYS CA C 42 53.997 53.997 57.235 -3.238 18080 964 1 5 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.684 -2.267 18080 965 1 5 . 1 1 42 42 LYS H H 42 8.056 8.056 8.222 -0.166 18080 966 1 6 . 1 1 2 2 SER N N 2 116.055 116.055 115.629 0.426 18080 967 1 6 . 1 1 2 2 SER HA H 2 4.722 4.722 4.605 0.117 18080 968 1 6 . 1 1 2 2 SER CA C 2 56.168 56.168 59.330 -3.162 18080 969 1 6 . 1 1 2 2 SER H H 2 8.902 8.902 8.525 0.377 18080 970 1 6 . 1 1 3 3 GLN N N 3 123.740 123.740 121.793 1.947 18080 971 1 6 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.388 -0.059 18080 972 1 6 . 1 1 3 3 GLN CA C 3 54.674 54.674 56.056 -1.382 18080 973 1 6 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.143 -2.864 18080 974 1 6 . 1 1 3 3 GLN H H 3 8.817 8.817 8.510 0.307 18080 975 1 6 . 1 1 4 4 LYS N N 4 120.182 120.182 119.814 0.368 18080 976 1 6 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.519 -0.233 18080 977 1 6 . 1 1 4 4 LYS CA C 4 55.656 55.656 56.438 -0.782 18080 978 1 6 . 1 1 4 4 LYS CB C 4 30.427 30.427 33.434 -3.007 18080 979 1 6 . 1 1 4 4 LYS H H 4 8.442 8.442 8.001 0.441 18080 980 1 6 . 1 1 5 5 LEU N N 5 119.225 119.225 122.432 -3.207 18080 981 1 6 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.463 -0.130 18080 982 1 6 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.065 -2.586 18080 983 1 6 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.565 -2.108 18080 984 1 6 . 1 1 5 5 LEU H H 5 8.181 8.181 8.017 0.164 18080 985 1 6 . 1 1 6 6 VAL N N 6 118.118 118.118 119.124 -1.006 18080 986 1 6 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.584 0.275 18080 987 1 6 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.155 -3.672 18080 988 1 6 . 1 1 6 6 VAL CB C 6 29.618 29.618 30.836 -1.218 18080 989 1 6 . 1 1 6 6 VAL H H 6 7.749 7.749 8.078 -0.329 18080 990 1 6 . 1 1 7 7 PHE N N 7 119.494 119.494 119.188 0.306 18080 991 1 6 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.016 0.495 18080 992 1 6 . 1 1 7 7 PHE CA C 7 57.016 57.016 62.242 -5.226 18080 993 1 6 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.307 -2.124 18080 994 1 6 . 1 1 7 7 PHE H H 7 7.989 7.989 7.850 0.139 18080 995 1 6 . 1 1 8 8 PHE N N 8 118.388 118.388 117.488 0.900 18080 996 1 6 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.191 0.254 18080 997 1 6 . 1 1 8 8 PHE CA C 8 57.437 57.437 60.736 -3.299 18080 998 1 6 . 1 1 8 8 PHE CB C 8 36.634 36.634 37.695 -1.061 18080 999 1 6 . 1 1 8 8 PHE H H 8 8.031 8.031 7.493 0.538 18080 1000 1 6 . 1 1 9 9 ALA N N 9 120.899 120.899 122.811 -1.912 18080 1001 1 6 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.996 0.070 18080 1002 1 6 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.233 -3.206 18080 1003 1 6 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.323 -2.134 18080 1004 1 6 . 1 1 9 9 ALA H H 9 8.246 8.246 8.387 -0.141 18080 1005 1 6 . 1 1 10 10 GLU N N 10 115.098 115.098 116.850 -1.752 18080 1006 1 6 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.153 0.086 18080 1007 1 6 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.418 -3.386 18080 1008 1 6 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.976 -3.943 18080 1009 1 6 . 1 1 10 10 GLU H H 10 8.167 8.167 8.058 0.109 18080 1010 1 6 . 1 1 11 11 ASP N N 11 118.059 118.059 121.207 -3.148 18080 1011 1 6 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.533 0.178 18080 1012 1 6 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.958 -4.925 18080 1013 1 6 . 1 1 11 11 ASP H H 11 8.174 8.174 8.273 -0.099 18080 1014 1 6 . 1 1 12 12 VAL N N 12 116.474 116.474 118.433 -1.959 18080 1015 1 6 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.341 -0.282 18080 1016 1 6 . 1 1 12 12 VAL CA C 12 61.057 61.057 61.286 -0.229 18080 1017 1 6 . 1 1 12 12 VAL CB C 12 29.513 29.513 31.691 -2.178 18080 1018 1 6 . 1 1 12 12 VAL H H 12 7.846 7.846 7.795 0.051 18080 1019 1 6 . 1 1 13 13 GLY N N 13 107.383 107.383 108.598 -1.215 18080 1020 1 6 . 1 1 13 13 GLY CA C 13 43.545 43.545 44.048 -0.503 18080 1021 1 6 . 1 1 13 13 GLY H H 13 8.163 8.163 7.494 0.669 18080 1022 1 6 . 1 1 14 14 SER N N 14 113.723 113.723 115.735 -2.012 18080 1023 1 6 . 1 1 14 14 SER HA H 14 4.567 4.567 4.292 0.275 18080 1024 1 6 . 1 1 14 14 SER CA C 14 56.065 56.065 60.475 -4.410 18080 1025 1 6 . 1 1 14 14 SER CB C 14 61.566 61.566 63.599 -2.033 18080 1026 1 6 . 1 1 14 14 SER H H 14 8.031 8.031 8.564 -0.533 18080 1027 1 6 . 1 1 15 15 ASN N N 15 120.384 120.384 114.708 5.676 18080 1028 1 6 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.814 0.075 18080 1029 1 6 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.081 -1.875 18080 1030 1 6 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.519 -1.839 18080 1031 1 6 . 1 1 15 15 ASN H H 15 8.334 8.334 8.114 0.220 18080 1032 1 6 . 1 1 16 16 LYS N N 16 121.348 121.348 122.608 -1.260 18080 1033 1 6 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.310 -0.151 18080 1034 1 6 . 1 1 16 16 LYS CA C 16 56.438 56.438 57.551 -1.113 18080 1035 1 6 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.221 -2.051 18080 1036 1 6 . 1 1 16 16 LYS H H 16 8.610 8.610 7.900 0.710 18080 1037 1 6 . 1 1 17 17 GLY N N 17 106.755 106.755 108.019 -1.264 18080 1038 1 6 . 1 1 17 17 GLY CA C 17 44.775 44.775 47.190 -2.415 18080 1039 1 6 . 1 1 17 17 GLY H H 17 8.620 8.620 8.678 -0.058 18080 1040 1 6 . 1 1 18 18 ALA N N 18 122.574 122.574 124.516 -1.942 18080 1041 1 6 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.039 0.161 18080 1042 1 6 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.686 -2.274 18080 1043 1 6 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.399 -2.187 18080 1044 1 6 . 1 1 18 18 ALA H H 18 8.099 8.099 8.222 -0.123 18080 1045 1 6 . 1 1 19 19 ILE N N 19 116.264 116.264 119.513 -3.249 18080 1046 1 6 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.568 0.330 18080 1047 1 6 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.349 -3.579 18080 1048 1 6 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.805 -2.671 18080 1049 1 6 . 1 1 19 19 ILE H H 19 7.899 7.899 7.459 0.440 18080 1050 1 6 . 1 1 20 20 ILE N N 20 119.344 119.344 120.007 -0.663 18080 1051 1 6 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.578 0.261 18080 1052 1 6 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.030 -3.415 18080 1053 1 6 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.397 -2.425 18080 1054 1 6 . 1 1 20 20 ILE H H 20 8.210 8.210 7.376 0.834 18080 1055 1 6 . 1 1 21 21 GLY N N 21 106.546 106.546 107.533 -0.987 18080 1056 1 6 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.052 -1.753 18080 1057 1 6 . 1 1 21 21 GLY H H 21 8.531 8.531 8.282 0.249 18080 1058 1 6 . 1 1 22 22 LEU N N 22 120.869 120.869 123.632 -2.763 18080 1059 1 6 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.091 0.031 18080 1060 1 6 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.840 -1.946 18080 1061 1 6 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.436 -1.728 18080 1062 1 6 . 1 1 22 22 LEU H H 22 8.310 8.310 8.405 -0.095 18080 1063 1 6 . 1 1 23 23 MET N N 23 117.191 117.191 118.542 -1.351 18080 1064 1 6 . 1 1 23 23 MET HA H 23 4.167 4.167 4.071 0.096 18080 1065 1 6 . 1 1 23 23 MET CA C 23 56.961 56.961 59.898 -2.937 18080 1066 1 6 . 1 1 23 23 MET CB C 23 30.421 30.421 32.771 -2.350 18080 1067 1 6 . 1 1 23 23 MET H H 23 8.263 8.263 8.097 0.166 18080 1068 1 6 . 1 1 24 24 VAL N N 24 117.660 117.660 117.928 -0.268 18080 1069 1 6 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.649 -0.048 18080 1070 1 6 . 1 1 24 24 VAL CA C 24 64.681 64.681 67.183 -2.502 18080 1071 1 6 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.785 -1.918 18080 1072 1 6 . 1 1 24 24 VAL H H 24 8.682 8.682 8.712 -0.030 18080 1073 1 6 . 1 1 25 25 GLY N N 25 106.038 106.038 107.515 -1.477 18080 1074 1 6 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.072 -2.009 18080 1075 1 6 . 1 1 25 25 GLY H H 25 8.774 8.774 8.261 0.513 18080 1076 1 6 . 1 1 26 26 GLY N N 26 108.191 108.191 110.345 -2.154 18080 1077 1 6 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.850 -1.882 18080 1078 1 6 . 1 1 26 26 GLY H H 26 8.806 8.806 8.057 0.749 18080 1079 1 6 . 1 1 27 27 VAL N N 27 120.729 120.729 122.620 -1.891 18080 1080 1 6 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.666 0.031 18080 1081 1 6 . 1 1 27 27 VAL CA C 27 64.557 64.557 66.661 -2.104 18080 1082 1 6 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.598 -2.762 18080 1083 1 6 . 1 1 27 27 VAL H H 27 8.280 8.280 8.082 0.198 18080 1084 1 6 . 1 1 28 28 VAL N N 28 122.275 122.275 120.763 1.512 18080 1085 1 6 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.713 -0.150 18080 1086 1 6 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.868 -1.588 18080 1087 1 6 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.335 -2.496 18080 1088 1 6 . 1 1 28 28 VAL H H 28 8.577 8.577 7.823 0.754 18080 1089 1 6 . 1 1 29 29 ILE N N 29 118.627 118.627 119.648 -1.021 18080 1090 1 6 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.590 0.071 18080 1091 1 6 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.475 -2.344 18080 1092 1 6 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.359 -2.590 18080 1093 1 6 . 1 1 29 29 ILE H H 29 8.527 8.527 8.348 0.179 18080 1094 1 6 . 1 1 30 30 ALA N N 30 120.541 120.541 121.579 -1.038 18080 1095 1 6 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.932 0.041 18080 1096 1 6 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.695 -2.313 18080 1097 1 6 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.095 -2.541 18080 1098 1 6 . 1 1 30 30 ALA H H 30 8.645 8.645 8.063 0.582 18080 1099 1 6 . 1 1 31 31 THR N N 31 113.932 113.932 113.395 0.537 18080 1100 1 6 . 1 1 31 31 THR HA H 31 3.775 3.775 3.888 -0.113 18080 1101 1 6 . 1 1 31 31 THR CA C 31 66.027 66.027 65.642 0.385 18080 1102 1 6 . 1 1 31 31 THR CB C 31 65.255 65.255 68.013 -2.758 18080 1103 1 6 . 1 1 31 31 THR H H 31 8.238 8.238 8.261 -0.023 18080 1104 1 6 . 1 1 32 32 VAL N N 32 120.206 120.206 122.165 -1.959 18080 1105 1 6 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.552 0.057 18080 1106 1 6 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.686 -2.017 18080 1107 1 6 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.494 -2.599 18080 1108 1 6 . 1 1 32 32 VAL H H 32 8.324 8.324 7.872 0.452 18080 1109 1 6 . 1 1 33 33 ILE N N 33 121.976 121.976 119.714 2.262 18080 1110 1 6 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.883 -0.226 18080 1111 1 6 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.454 0.387 18080 1112 1 6 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.296 -1.381 18080 1113 1 6 . 1 1 33 33 ILE H H 33 8.520 8.520 8.107 0.413 18080 1114 1 6 . 1 1 34 34 VAL N N 34 119.099 119.099 121.008 -1.909 18080 1115 1 6 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.699 -0.061 18080 1116 1 6 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.745 -1.067 18080 1117 1 6 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.093 -2.277 18080 1118 1 6 . 1 1 34 34 VAL H H 34 8.539 8.539 8.063 0.476 18080 1119 1 6 . 1 1 35 35 ILE N N 35 117.727 117.727 119.738 -2.011 18080 1120 1 6 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.711 -0.045 18080 1121 1 6 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.186 -0.850 18080 1122 1 6 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.392 -1.332 18080 1123 1 6 . 1 1 35 35 ILE H H 35 8.690 8.690 8.415 0.275 18080 1124 1 6 . 1 1 36 36 THR N N 36 116.743 116.743 115.363 1.380 18080 1125 1 6 . 1 1 36 36 THR HA H 36 3.776 3.776 3.958 -0.182 18080 1126 1 6 . 1 1 36 36 THR CA C 36 66.196 66.196 66.034 0.162 18080 1127 1 6 . 1 1 36 36 THR CB C 36 65.191 65.191 68.637 -3.446 18080 1128 1 6 . 1 1 36 36 THR H H 36 8.267 8.267 8.227 0.040 18080 1129 1 6 . 1 1 37 37 LEU N N 37 120.103 120.103 122.377 -2.274 18080 1130 1 6 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.035 0.087 18080 1131 1 6 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.949 -1.880 18080 1132 1 6 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.515 -1.840 18080 1133 1 6 . 1 1 37 37 LEU H H 37 8.439 8.439 8.008 0.431 18080 1134 1 6 . 1 1 38 38 VAL N N 38 117.700 117.700 118.406 -0.706 18080 1135 1 6 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.555 0.167 18080 1136 1 6 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.519 -2.252 18080 1137 1 6 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.265 -2.323 18080 1138 1 6 . 1 1 38 38 VAL H H 38 8.470 8.470 8.188 0.282 18080 1139 1 6 . 1 1 39 39 MET N N 39 117.431 117.431 117.216 0.215 18080 1140 1 6 . 1 1 39 39 MET HA H 39 4.351 4.351 4.175 0.176 18080 1141 1 6 . 1 1 39 39 MET CA C 39 55.609 55.609 58.671 -3.062 18080 1142 1 6 . 1 1 39 39 MET CB C 39 29.560 29.560 32.206 -2.646 18080 1143 1 6 . 1 1 39 39 MET H H 39 8.513 8.513 7.970 0.543 18080 1144 1 6 . 1 1 40 40 LEU N N 40 117.760 117.760 121.645 -3.885 18080 1145 1 6 . 1 1 40 40 LEU HA H 40 4.329 4.329 3.964 0.365 18080 1146 1 6 . 1 1 40 40 LEU CA C 40 54.309 54.309 58.054 -3.745 18080 1147 1 6 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.117 -1.423 18080 1148 1 6 . 1 1 40 40 LEU H H 40 8.399 8.399 8.313 0.086 18080 1149 1 6 . 1 1 41 41 LYS N N 41 117.042 117.042 116.908 0.134 18080 1150 1 6 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.073 0.270 18080 1151 1 6 . 1 1 41 41 LYS CA C 41 54.375 54.375 58.543 -4.168 18080 1152 1 6 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.263 -2.114 18080 1153 1 6 . 1 1 41 41 LYS H H 41 7.928 7.928 7.528 0.400 18080 1154 1 6 . 1 1 42 42 LYS N N 42 119.285 119.285 118.384 0.901 18080 1155 1 6 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.220 0.191 18080 1156 1 6 . 1 1 42 42 LYS CA C 42 53.997 53.997 57.964 -3.967 18080 1157 1 6 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.928 -2.511 18080 1158 1 6 . 1 1 42 42 LYS H H 42 8.056 8.056 7.448 0.608 18080 1159 1 7 . 1 1 2 2 SER N N 2 116.055 116.055 115.803 0.252 18080 1160 1 7 . 1 1 2 2 SER HA H 2 4.722 4.722 4.388 0.334 18080 1161 1 7 . 1 1 2 2 SER CA C 2 56.168 56.168 58.370 -2.202 18080 1162 1 7 . 1 1 2 2 SER H H 2 8.902 8.902 8.218 0.684 18080 1163 1 7 . 1 1 3 3 GLN N N 3 123.740 123.740 120.845 2.895 18080 1164 1 7 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.520 -0.191 18080 1165 1 7 . 1 1 3 3 GLN CA C 3 54.674 54.674 56.100 -1.426 18080 1166 1 7 . 1 1 3 3 GLN CB C 3 26.279 26.279 28.439 -2.160 18080 1167 1 7 . 1 1 3 3 GLN H H 3 8.817 8.817 8.564 0.253 18080 1168 1 7 . 1 1 4 4 LYS N N 4 120.182 120.182 118.745 1.437 18080 1169 1 7 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.390 -0.104 18080 1170 1 7 . 1 1 4 4 LYS CA C 4 55.656 55.656 56.104 -0.448 18080 1171 1 7 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.675 -2.248 18080 1172 1 7 . 1 1 4 4 LYS H H 4 8.442 8.442 7.956 0.486 18080 1173 1 7 . 1 1 5 5 LEU N N 5 119.225 119.225 122.169 -2.944 18080 1174 1 7 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.356 -0.023 18080 1175 1 7 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.091 -2.612 18080 1176 1 7 . 1 1 5 5 LEU CB C 5 39.457 39.457 42.199 -2.742 18080 1177 1 7 . 1 1 5 5 LEU H H 5 8.181 8.181 8.182 -0.001 18080 1178 1 7 . 1 1 6 6 VAL N N 6 118.118 118.118 119.580 -1.462 18080 1179 1 7 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.690 0.169 18080 1180 1 7 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.707 -4.223 18080 1181 1 7 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.059 -1.441 18080 1182 1 7 . 1 1 6 6 VAL H H 6 7.749 7.749 8.072 -0.323 18080 1183 1 7 . 1 1 7 7 PHE N N 7 119.494 119.494 120.511 -1.017 18080 1184 1 7 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.051 0.460 18080 1185 1 7 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.944 -4.928 18080 1186 1 7 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.657 -2.474 18080 1187 1 7 . 1 1 7 7 PHE H H 7 7.989 7.989 8.180 -0.191 18080 1188 1 7 . 1 1 8 8 PHE N N 8 118.388 118.388 117.233 1.155 18080 1189 1 7 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.051 0.394 18080 1190 1 7 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.898 -4.461 18080 1191 1 7 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.372 -1.738 18080 1192 1 7 . 1 1 8 8 PHE H H 8 8.031 8.031 7.890 0.141 18080 1193 1 7 . 1 1 9 9 ALA N N 9 120.899 120.899 121.817 -0.918 18080 1194 1 7 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.952 0.114 18080 1195 1 7 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.546 -3.519 18080 1196 1 7 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.148 -1.958 18080 1197 1 7 . 1 1 9 9 ALA H H 9 8.246 8.246 8.500 -0.254 18080 1198 1 7 . 1 1 10 10 GLU N N 10 115.098 115.098 116.137 -1.039 18080 1199 1 7 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.121 0.118 18080 1200 1 7 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.389 -3.357 18080 1201 1 7 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.621 -3.588 18080 1202 1 7 . 1 1 10 10 GLU H H 10 8.167 8.167 8.206 -0.039 18080 1203 1 7 . 1 1 11 11 ASP N N 11 118.059 118.059 118.802 -0.743 18080 1204 1 7 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.353 0.358 18080 1205 1 7 . 1 1 11 11 ASP CA C 11 52.033 52.033 55.971 -3.938 18080 1206 1 7 . 1 1 11 11 ASP H H 11 8.174 8.174 7.797 0.377 18080 1207 1 7 . 1 1 12 12 VAL N N 12 116.474 116.474 117.191 -0.717 18080 1208 1 7 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.176 -0.117 18080 1209 1 7 . 1 1 12 12 VAL CA C 12 61.057 61.057 62.532 -1.475 18080 1210 1 7 . 1 1 12 12 VAL CB C 12 29.513 29.513 33.015 -3.502 18080 1211 1 7 . 1 1 12 12 VAL H H 12 7.846 7.846 7.919 -0.073 18080 1212 1 7 . 1 1 13 13 GLY N N 13 107.383 107.383 109.071 -1.688 18080 1213 1 7 . 1 1 13 13 GLY CA C 13 43.545 43.545 46.280 -2.735 18080 1214 1 7 . 1 1 13 13 GLY H H 13 8.163 8.163 8.374 -0.211 18080 1215 1 7 . 1 1 14 14 SER N N 14 113.723 113.723 114.923 -1.200 18080 1216 1 7 . 1 1 14 14 SER HA H 14 4.567 4.567 4.427 0.140 18080 1217 1 7 . 1 1 14 14 SER CA C 14 56.065 56.065 58.395 -2.330 18080 1218 1 7 . 1 1 14 14 SER CB C 14 61.566 61.566 64.242 -2.676 18080 1219 1 7 . 1 1 14 14 SER H H 14 8.031 8.031 8.198 -0.167 18080 1220 1 7 . 1 1 15 15 ASN N N 15 120.384 120.384 119.494 0.890 18080 1221 1 7 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.765 0.124 18080 1222 1 7 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.514 -2.309 18080 1223 1 7 . 1 1 15 15 ASN CB C 15 36.680 36.680 40.019 -3.339 18080 1224 1 7 . 1 1 15 15 ASN H H 15 8.334 8.334 8.292 0.042 18080 1225 1 7 . 1 1 16 16 LYS N N 16 121.348 121.348 120.489 0.859 18080 1226 1 7 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.458 -0.299 18080 1227 1 7 . 1 1 16 16 LYS CA C 16 56.438 56.438 56.726 -0.288 18080 1228 1 7 . 1 1 16 16 LYS CB C 16 30.170 30.170 33.339 -3.169 18080 1229 1 7 . 1 1 16 16 LYS H H 16 8.610 8.610 7.937 0.673 18080 1230 1 7 . 1 1 17 17 GLY N N 17 106.755 106.755 108.550 -1.795 18080 1231 1 7 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.328 -1.553 18080 1232 1 7 . 1 1 17 17 GLY H H 17 8.620 8.620 8.813 -0.193 18080 1233 1 7 . 1 1 18 18 ALA N N 18 122.574 122.574 124.448 -1.874 18080 1234 1 7 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.010 0.190 18080 1235 1 7 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.794 -2.382 18080 1236 1 7 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.545 -2.333 18080 1237 1 7 . 1 1 18 18 ALA H H 18 8.099 8.099 8.352 -0.253 18080 1238 1 7 . 1 1 19 19 ILE N N 19 116.264 116.264 118.724 -2.460 18080 1239 1 7 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.704 0.194 18080 1240 1 7 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.236 -3.466 18080 1241 1 7 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.968 -2.834 18080 1242 1 7 . 1 1 19 19 ILE H H 19 7.899 7.899 7.502 0.397 18080 1243 1 7 . 1 1 20 20 ILE N N 20 119.344 119.344 120.038 -0.694 18080 1244 1 7 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.635 0.204 18080 1245 1 7 . 1 1 20 20 ILE CA C 20 62.615 62.615 65.899 -3.284 18080 1246 1 7 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.442 -2.470 18080 1247 1 7 . 1 1 20 20 ILE H H 20 8.210 8.210 7.517 0.693 18080 1248 1 7 . 1 1 21 21 GLY N N 21 106.546 106.546 107.308 -0.762 18080 1249 1 7 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.087 -1.788 18080 1250 1 7 . 1 1 21 21 GLY H H 21 8.531 8.531 8.254 0.277 18080 1251 1 7 . 1 1 22 22 LEU N N 22 120.869 120.869 123.434 -2.565 18080 1252 1 7 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.100 0.022 18080 1253 1 7 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.674 -1.780 18080 1254 1 7 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.872 -2.164 18080 1255 1 7 . 1 1 22 22 LEU H H 22 8.310 8.310 8.121 0.189 18080 1256 1 7 . 1 1 23 23 MET N N 23 117.191 117.191 118.269 -1.078 18080 1257 1 7 . 1 1 23 23 MET HA H 23 4.167 4.167 4.047 0.120 18080 1258 1 7 . 1 1 23 23 MET CA C 23 56.961 56.961 59.889 -2.928 18080 1259 1 7 . 1 1 23 23 MET CB C 23 30.421 30.421 32.536 -2.115 18080 1260 1 7 . 1 1 23 23 MET H H 23 8.263 8.263 8.070 0.193 18080 1261 1 7 . 1 1 24 24 VAL N N 24 117.660 117.660 118.380 -0.720 18080 1262 1 7 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.674 -0.073 18080 1263 1 7 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.752 -2.071 18080 1264 1 7 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.661 -1.794 18080 1265 1 7 . 1 1 24 24 VAL H H 24 8.682 8.682 8.668 0.014 18080 1266 1 7 . 1 1 25 25 GLY N N 25 106.038 106.038 107.390 -1.352 18080 1267 1 7 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.113 -2.050 18080 1268 1 7 . 1 1 25 25 GLY H H 25 8.774 8.774 8.173 0.601 18080 1269 1 7 . 1 1 26 26 GLY N N 26 108.191 108.191 110.147 -1.956 18080 1270 1 7 . 1 1 26 26 GLY CA C 26 44.968 44.968 47.009 -2.041 18080 1271 1 7 . 1 1 26 26 GLY H H 26 8.806 8.806 8.101 0.705 18080 1272 1 7 . 1 1 27 27 VAL N N 27 120.729 120.729 122.684 -1.955 18080 1273 1 7 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.772 -0.075 18080 1274 1 7 . 1 1 27 27 VAL CA C 27 64.557 64.557 65.082 -0.525 18080 1275 1 7 . 1 1 27 27 VAL CB C 27 28.836 28.836 30.782 -1.946 18080 1276 1 7 . 1 1 27 27 VAL H H 27 8.280 8.280 8.150 0.130 18080 1277 1 7 . 1 1 28 28 VAL N N 28 122.275 122.275 120.470 1.805 18080 1278 1 7 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.671 -0.108 18080 1279 1 7 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.472 -1.192 18080 1280 1 7 . 1 1 28 28 VAL CB C 28 28.839 28.839 30.991 -2.152 18080 1281 1 7 . 1 1 28 28 VAL H H 28 8.577 8.577 7.842 0.735 18080 1282 1 7 . 1 1 29 29 ILE N N 29 118.627 118.627 119.484 -0.857 18080 1283 1 7 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.633 0.028 18080 1284 1 7 . 1 1 29 29 ILE CA C 29 63.131 63.131 64.129 -0.998 18080 1285 1 7 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.205 -1.436 18080 1286 1 7 . 1 1 29 29 ILE H H 29 8.527 8.527 8.134 0.393 18080 1287 1 7 . 1 1 30 30 ALA N N 30 120.541 120.541 122.244 -1.703 18080 1288 1 7 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.920 0.053 18080 1289 1 7 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.624 -2.242 18080 1290 1 7 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.111 -2.557 18080 1291 1 7 . 1 1 30 30 ALA H H 30 8.645 8.645 8.197 0.448 18080 1292 1 7 . 1 1 31 31 THR N N 31 113.932 113.932 115.786 -1.854 18080 1293 1 7 . 1 1 31 31 THR HA H 31 3.775 3.775 3.942 -0.167 18080 1294 1 7 . 1 1 31 31 THR CA C 31 66.027 66.027 66.350 -0.323 18080 1295 1 7 . 1 1 31 31 THR CB C 31 65.255 65.255 68.249 -2.994 18080 1296 1 7 . 1 1 31 31 THR H H 31 8.238 8.238 8.254 -0.016 18080 1297 1 7 . 1 1 32 32 VAL N N 32 120.206 120.206 121.558 -1.352 18080 1298 1 7 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.670 -0.061 18080 1299 1 7 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.743 -2.074 18080 1300 1 7 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.078 -2.183 18080 1301 1 7 . 1 1 32 32 VAL H H 32 8.324 8.324 8.111 0.213 18080 1302 1 7 . 1 1 33 33 ILE N N 33 121.976 121.976 119.807 2.169 18080 1303 1 7 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.868 -0.211 18080 1304 1 7 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.597 0.243 18080 1305 1 7 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.403 -1.488 18080 1306 1 7 . 1 1 33 33 ILE H H 33 8.520 8.520 8.104 0.416 18080 1307 1 7 . 1 1 34 34 VAL N N 34 119.099 119.099 120.976 -1.877 18080 1308 1 7 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.698 -0.060 18080 1309 1 7 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.080 -1.402 18080 1310 1 7 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.303 -2.487 18080 1311 1 7 . 1 1 34 34 VAL H H 34 8.539 8.539 8.062 0.477 18080 1312 1 7 . 1 1 35 35 ILE N N 35 117.727 117.727 119.654 -1.927 18080 1313 1 7 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.724 -0.058 18080 1314 1 7 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.245 -0.909 18080 1315 1 7 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.380 -1.320 18080 1316 1 7 . 1 1 35 35 ILE H H 35 8.690 8.690 8.384 0.306 18080 1317 1 7 . 1 1 36 36 THR N N 36 116.743 116.743 114.638 2.105 18080 1318 1 7 . 1 1 36 36 THR HA H 36 3.776 3.776 3.971 -0.195 18080 1319 1 7 . 1 1 36 36 THR CA C 36 66.196 66.196 65.732 0.464 18080 1320 1 7 . 1 1 36 36 THR CB C 36 65.191 65.191 68.846 -3.655 18080 1321 1 7 . 1 1 36 36 THR H H 36 8.267 8.267 8.182 0.085 18080 1322 1 7 . 1 1 37 37 LEU N N 37 120.103 120.103 123.108 -3.005 18080 1323 1 7 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.020 0.102 18080 1324 1 7 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.752 -1.683 18080 1325 1 7 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.672 -1.997 18080 1326 1 7 . 1 1 37 37 LEU H H 37 8.439 8.439 8.019 0.420 18080 1327 1 7 . 1 1 38 38 VAL N N 38 117.700 117.700 118.833 -1.133 18080 1328 1 7 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.483 0.239 18080 1329 1 7 . 1 1 38 38 VAL CA C 38 64.267 64.267 67.387 -3.120 18080 1330 1 7 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.848 -2.906 18080 1331 1 7 . 1 1 38 38 VAL H H 38 8.470 8.470 8.308 0.162 18080 1332 1 7 . 1 1 39 39 MET N N 39 117.431 117.431 118.593 -1.162 18080 1333 1 7 . 1 1 39 39 MET HA H 39 4.351 4.351 4.147 0.204 18080 1334 1 7 . 1 1 39 39 MET CA C 39 55.609 55.609 58.775 -3.166 18080 1335 1 7 . 1 1 39 39 MET CB C 39 29.560 29.560 32.514 -2.954 18080 1336 1 7 . 1 1 39 39 MET H H 39 8.513 8.513 8.182 0.331 18080 1337 1 7 . 1 1 40 40 LEU N N 40 117.760 117.760 120.020 -2.260 18080 1338 1 7 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.152 0.177 18080 1339 1 7 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.117 -2.808 18080 1340 1 7 . 1 1 40 40 LEU CB C 40 39.694 39.694 42.367 -2.673 18080 1341 1 7 . 1 1 40 40 LEU H H 40 8.399 8.399 8.211 0.188 18080 1342 1 7 . 1 1 41 41 LYS N N 41 117.042 117.042 119.712 -2.670 18080 1343 1 7 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.192 0.151 18080 1344 1 7 . 1 1 41 41 LYS CA C 41 54.375 54.375 56.684 -2.308 18080 1345 1 7 . 1 1 41 41 LYS CB C 41 30.149 30.149 33.207 -3.058 18080 1346 1 7 . 1 1 41 41 LYS H H 41 7.928 7.928 7.523 0.405 18080 1347 1 7 . 1 1 42 42 LYS N N 42 119.285 119.285 121.053 -1.768 18080 1348 1 7 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.126 0.285 18080 1349 1 7 . 1 1 42 42 LYS CA C 42 53.997 53.997 57.261 -3.264 18080 1350 1 7 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.880 -2.463 18080 1351 1 7 . 1 1 42 42 LYS H H 42 8.056 8.056 7.940 0.116 18080 1352 1 8 . 1 1 2 2 SER N N 2 116.055 116.055 117.419 -1.364 18080 1353 1 8 . 1 1 2 2 SER HA H 2 4.722 4.722 4.568 0.154 18080 1354 1 8 . 1 1 2 2 SER CA C 2 56.168 56.168 58.277 -2.109 18080 1355 1 8 . 1 1 2 2 SER H H 2 8.902 8.902 8.205 0.697 18080 1356 1 8 . 1 1 3 3 GLN N N 3 123.740 123.740 122.225 1.515 18080 1357 1 8 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.459 -0.130 18080 1358 1 8 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.614 -0.940 18080 1359 1 8 . 1 1 3 3 GLN CB C 3 26.279 26.279 28.374 -2.095 18080 1360 1 8 . 1 1 3 3 GLN H H 3 8.817 8.817 8.329 0.488 18080 1361 1 8 . 1 1 4 4 LYS N N 4 120.182 120.182 118.309 1.873 18080 1362 1 8 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.351 -0.065 18080 1363 1 8 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.011 -1.355 18080 1364 1 8 . 1 1 4 4 LYS CB C 4 30.427 30.427 33.055 -2.628 18080 1365 1 8 . 1 1 4 4 LYS H H 4 8.442 8.442 7.855 0.587 18080 1366 1 8 . 1 1 5 5 LEU N N 5 119.225 119.225 121.390 -2.165 18080 1367 1 8 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.360 -0.027 18080 1368 1 8 . 1 1 5 5 LEU CA C 5 54.479 54.479 56.848 -2.369 18080 1369 1 8 . 1 1 5 5 LEU CB C 5 39.457 39.457 42.334 -2.877 18080 1370 1 8 . 1 1 5 5 LEU H H 5 8.181 8.181 7.996 0.185 18080 1371 1 8 . 1 1 6 6 VAL N N 6 118.118 118.118 118.856 -0.738 18080 1372 1 8 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.612 0.247 18080 1373 1 8 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.964 -4.481 18080 1374 1 8 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.796 -2.178 18080 1375 1 8 . 1 1 6 6 VAL H H 6 7.749 7.749 8.242 -0.493 18080 1376 1 8 . 1 1 7 7 PHE N N 7 119.494 119.494 118.029 1.465 18080 1377 1 8 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.134 0.377 18080 1378 1 8 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.151 -4.135 18080 1379 1 8 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.617 -2.433 18080 1380 1 8 . 1 1 7 7 PHE H H 7 7.989 7.989 8.001 -0.012 18080 1381 1 8 . 1 1 8 8 PHE N N 8 118.388 118.388 119.803 -1.415 18080 1382 1 8 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.130 0.315 18080 1383 1 8 . 1 1 8 8 PHE CA C 8 57.437 57.437 60.639 -3.202 18080 1384 1 8 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.722 -2.088 18080 1385 1 8 . 1 1 8 8 PHE H H 8 8.031 8.031 7.887 0.144 18080 1386 1 8 . 1 1 9 9 ALA N N 9 120.899 120.899 121.589 -0.690 18080 1387 1 8 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.911 0.155 18080 1388 1 8 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.386 -3.359 18080 1389 1 8 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.036 -1.846 18080 1390 1 8 . 1 1 9 9 ALA H H 9 8.246 8.246 8.401 -0.155 18080 1391 1 8 . 1 1 10 10 GLU N N 10 115.098 115.098 116.715 -1.617 18080 1392 1 8 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.111 0.128 18080 1393 1 8 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.237 -3.205 18080 1394 1 8 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.107 -3.074 18080 1395 1 8 . 1 1 10 10 GLU H H 10 8.167 8.167 8.043 0.124 18080 1396 1 8 . 1 1 11 11 ASP N N 11 118.059 118.059 119.477 -1.418 18080 1397 1 8 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.455 0.256 18080 1398 1 8 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.910 -4.877 18080 1399 1 8 . 1 1 11 11 ASP H H 11 8.174 8.174 8.022 0.152 18080 1400 1 8 . 1 1 12 12 VAL N N 12 116.474 116.474 114.301 2.173 18080 1401 1 8 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.766 0.293 18080 1402 1 8 . 1 1 12 12 VAL CA C 12 61.057 61.057 63.567 -2.510 18080 1403 1 8 . 1 1 12 12 VAL CB C 12 29.513 29.513 31.751 -2.238 18080 1404 1 8 . 1 1 12 12 VAL H H 12 7.846 7.846 7.626 0.220 18080 1405 1 8 . 1 1 13 13 GLY N N 13 107.383 107.383 108.533 -1.150 18080 1406 1 8 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.196 -1.651 18080 1407 1 8 . 1 1 13 13 GLY H H 13 8.163 8.163 7.626 0.537 18080 1408 1 8 . 1 1 14 14 SER N N 14 113.723 113.723 116.110 -2.387 18080 1409 1 8 . 1 1 14 14 SER HA H 14 4.567 4.567 4.518 0.049 18080 1410 1 8 . 1 1 14 14 SER CA C 14 56.065 56.065 58.071 -2.006 18080 1411 1 8 . 1 1 14 14 SER CB C 14 61.566 61.566 64.242 -2.676 18080 1412 1 8 . 1 1 14 14 SER H H 14 8.031 8.031 7.690 0.341 18080 1413 1 8 . 1 1 15 15 ASN N N 15 120.384 120.384 118.826 1.558 18080 1414 1 8 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.511 0.378 18080 1415 1 8 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.895 -2.690 18080 1416 1 8 . 1 1 15 15 ASN CB C 15 36.680 36.680 37.569 -0.889 18080 1417 1 8 . 1 1 15 15 ASN H H 15 8.334 8.334 7.890 0.444 18080 1418 1 8 . 1 1 16 16 LYS N N 16 121.348 121.348 120.347 1.001 18080 1419 1 8 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.000 0.159 18080 1420 1 8 . 1 1 16 16 LYS CA C 16 56.438 56.438 59.227 -2.789 18080 1421 1 8 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.356 -2.186 18080 1422 1 8 . 1 1 16 16 LYS H H 16 8.610 8.610 8.298 0.312 18080 1423 1 8 . 1 1 17 17 GLY N N 17 106.755 106.755 106.317 0.438 18080 1424 1 8 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.973 -2.198 18080 1425 1 8 . 1 1 17 17 GLY H H 17 8.620 8.620 8.602 0.018 18080 1426 1 8 . 1 1 18 18 ALA N N 18 122.574 122.574 124.370 -1.796 18080 1427 1 8 . 1 1 18 18 ALA HA H 18 4.200 4.200 3.991 0.209 18080 1428 1 8 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.853 -2.441 18080 1429 1 8 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.213 -2.001 18080 1430 1 8 . 1 1 18 18 ALA H H 18 8.099 8.099 8.135 -0.036 18080 1431 1 8 . 1 1 19 19 ILE N N 19 116.264 116.264 119.445 -3.181 18080 1432 1 8 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.552 0.346 18080 1433 1 8 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.364 -3.594 18080 1434 1 8 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.813 -2.679 18080 1435 1 8 . 1 1 19 19 ILE H H 19 7.899 7.899 7.453 0.446 18080 1436 1 8 . 1 1 20 20 ILE N N 20 119.344 119.344 119.481 -0.137 18080 1437 1 8 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.600 0.239 18080 1438 1 8 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.074 -3.459 18080 1439 1 8 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.345 -2.373 18080 1440 1 8 . 1 1 20 20 ILE H H 20 8.210 8.210 7.371 0.839 18080 1441 1 8 . 1 1 21 21 GLY N N 21 106.546 106.546 107.572 -1.026 18080 1442 1 8 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.070 -1.771 18080 1443 1 8 . 1 1 21 21 GLY H H 21 8.531 8.531 8.290 0.241 18080 1444 1 8 . 1 1 22 22 LEU N N 22 120.869 120.869 123.565 -2.696 18080 1445 1 8 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.122 -0.000 18080 1446 1 8 . 1 1 22 22 LEU CA C 22 55.894 55.894 58.007 -2.113 18080 1447 1 8 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.525 -1.817 18080 1448 1 8 . 1 1 22 22 LEU H H 22 8.310 8.310 8.396 -0.086 18080 1449 1 8 . 1 1 23 23 MET N N 23 117.191 117.191 118.242 -1.051 18080 1450 1 8 . 1 1 23 23 MET HA H 23 4.167 4.167 4.140 0.027 18080 1451 1 8 . 1 1 23 23 MET CA C 23 56.961 56.961 58.621 -1.660 18080 1452 1 8 . 1 1 23 23 MET CB C 23 30.421 30.421 31.927 -1.506 18080 1453 1 8 . 1 1 23 23 MET H H 23 8.263 8.263 8.134 0.129 18080 1454 1 8 . 1 1 24 24 VAL N N 24 117.660 117.660 118.354 -0.694 18080 1455 1 8 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.622 -0.021 18080 1456 1 8 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.756 -2.075 18080 1457 1 8 . 1 1 24 24 VAL CB C 24 28.867 28.867 31.185 -2.318 18080 1458 1 8 . 1 1 24 24 VAL H H 24 8.682 8.682 8.789 -0.107 18080 1459 1 8 . 1 1 25 25 GLY N N 25 106.038 106.038 107.251 -1.213 18080 1460 1 8 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.052 -1.989 18080 1461 1 8 . 1 1 25 25 GLY H H 25 8.774 8.774 8.158 0.616 18080 1462 1 8 . 1 1 26 26 GLY N N 26 108.191 108.191 110.438 -2.247 18080 1463 1 8 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.825 -1.857 18080 1464 1 8 . 1 1 26 26 GLY H H 26 8.806 8.806 8.069 0.737 18080 1465 1 8 . 1 1 27 27 VAL N N 27 120.729 120.729 122.681 -1.952 18080 1466 1 8 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.635 0.062 18080 1467 1 8 . 1 1 27 27 VAL CA C 27 64.557 64.557 67.218 -2.660 18080 1468 1 8 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.768 -2.932 18080 1469 1 8 . 1 1 27 27 VAL H H 27 8.280 8.280 8.040 0.240 18080 1470 1 8 . 1 1 28 28 VAL N N 28 122.275 122.275 119.851 2.424 18080 1471 1 8 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.606 -0.043 18080 1472 1 8 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.666 -1.386 18080 1473 1 8 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.056 -2.217 18080 1474 1 8 . 1 1 28 28 VAL H H 28 8.577 8.577 7.700 0.877 18080 1475 1 8 . 1 1 29 29 ILE N N 29 118.627 118.627 119.622 -0.995 18080 1476 1 8 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.570 0.091 18080 1477 1 8 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.523 -2.392 18080 1478 1 8 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.319 -2.550 18080 1479 1 8 . 1 1 29 29 ILE H H 29 8.527 8.527 8.252 0.275 18080 1480 1 8 . 1 1 30 30 ALA N N 30 120.541 120.541 121.739 -1.198 18080 1481 1 8 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.890 0.083 18080 1482 1 8 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.532 -2.150 18080 1483 1 8 . 1 1 30 30 ALA CB C 30 15.554 15.554 17.955 -2.401 18080 1484 1 8 . 1 1 30 30 ALA H H 30 8.645 8.645 8.099 0.546 18080 1485 1 8 . 1 1 31 31 THR N N 31 113.932 113.932 116.182 -2.250 18080 1486 1 8 . 1 1 31 31 THR HA H 31 3.775 3.775 3.879 -0.104 18080 1487 1 8 . 1 1 31 31 THR CA C 31 66.027 66.027 67.425 -1.398 18080 1488 1 8 . 1 1 31 31 THR CB C 31 65.255 65.255 68.731 -3.476 18080 1489 1 8 . 1 1 31 31 THR H H 31 8.238 8.238 8.199 0.039 18080 1490 1 8 . 1 1 32 32 VAL N N 32 120.206 120.206 121.887 -1.681 18080 1491 1 8 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.646 -0.037 18080 1492 1 8 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.916 -2.247 18080 1493 1 8 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.151 -2.256 18080 1494 1 8 . 1 1 32 32 VAL H H 32 8.324 8.324 8.127 0.197 18080 1495 1 8 . 1 1 33 33 ILE N N 33 121.976 121.976 120.307 1.669 18080 1496 1 8 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.826 -0.169 18080 1497 1 8 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.846 -0.005 18080 1498 1 8 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.640 -1.725 18080 1499 1 8 . 1 1 33 33 ILE H H 33 8.520 8.520 8.019 0.501 18080 1500 1 8 . 1 1 34 34 VAL N N 34 119.099 119.099 120.386 -1.287 18080 1501 1 8 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.529 0.109 18080 1502 1 8 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.172 -1.494 18080 1503 1 8 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.558 -2.742 18080 1504 1 8 . 1 1 34 34 VAL H H 34 8.539 8.539 8.385 0.154 18080 1505 1 8 . 1 1 35 35 ILE N N 35 117.727 117.727 119.423 -1.696 18080 1506 1 8 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.588 0.078 18080 1507 1 8 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.603 -2.267 18080 1508 1 8 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.640 -2.580 18080 1509 1 8 . 1 1 35 35 ILE H H 35 8.690 8.690 8.588 0.102 18080 1510 1 8 . 1 1 36 36 THR N N 36 116.743 116.743 115.135 1.608 18080 1511 1 8 . 1 1 36 36 THR HA H 36 3.776 3.776 3.931 -0.155 18080 1512 1 8 . 1 1 36 36 THR CA C 36 66.196 66.196 65.992 0.204 18080 1513 1 8 . 1 1 36 36 THR CB C 36 65.191 65.191 68.967 -3.776 18080 1514 1 8 . 1 1 36 36 THR H H 36 8.267 8.267 8.155 0.112 18080 1515 1 8 . 1 1 37 37 LEU N N 37 120.103 120.103 122.764 -2.661 18080 1516 1 8 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.004 0.118 18080 1517 1 8 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.931 -1.862 18080 1518 1 8 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.565 -1.890 18080 1519 1 8 . 1 1 37 37 LEU H H 37 8.439 8.439 8.328 0.111 18080 1520 1 8 . 1 1 38 38 VAL N N 38 117.700 117.700 118.078 -0.378 18080 1521 1 8 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.644 0.078 18080 1522 1 8 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.500 -2.233 18080 1523 1 8 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.679 -2.737 18080 1524 1 8 . 1 1 38 38 VAL H H 38 8.470 8.470 8.083 0.387 18080 1525 1 8 . 1 1 39 39 MET N N 39 117.431 117.431 118.594 -1.163 18080 1526 1 8 . 1 1 39 39 MET HA H 39 4.351 4.351 4.112 0.239 18080 1527 1 8 . 1 1 39 39 MET CA C 39 55.609 55.609 58.257 -2.647 18080 1528 1 8 . 1 1 39 39 MET CB C 39 29.560 29.560 31.898 -2.338 18080 1529 1 8 . 1 1 39 39 MET H H 39 8.513 8.513 8.275 0.238 18080 1530 1 8 . 1 1 40 40 LEU N N 40 117.760 117.760 119.948 -2.188 18080 1531 1 8 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.017 0.312 18080 1532 1 8 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.392 -3.083 18080 1533 1 8 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.265 -1.571 18080 1534 1 8 . 1 1 40 40 LEU H H 40 8.399 8.399 8.225 0.174 18080 1535 1 8 . 1 1 41 41 LYS N N 41 117.042 117.042 118.396 -1.354 18080 1536 1 8 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.021 0.322 18080 1537 1 8 . 1 1 41 41 LYS CA C 41 54.375 54.375 58.273 -3.897 18080 1538 1 8 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.738 -2.589 18080 1539 1 8 . 1 1 41 41 LYS H H 41 7.928 7.928 7.679 0.249 18080 1540 1 8 . 1 1 42 42 LYS N N 42 119.285 119.285 117.739 1.546 18080 1541 1 8 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.139 0.272 18080 1542 1 8 . 1 1 42 42 LYS CA C 42 53.997 53.997 57.349 -3.352 18080 1543 1 8 . 1 1 42 42 LYS CB C 42 30.417 30.417 33.188 -2.771 18080 1544 1 8 . 1 1 42 42 LYS H H 42 8.056 8.056 7.900 0.156 18080 1545 1 9 . 1 1 2 2 SER N N 2 116.055 116.055 116.817 -0.762 18080 1546 1 9 . 1 1 2 2 SER HA H 2 4.722 4.722 4.490 0.232 18080 1547 1 9 . 1 1 2 2 SER CA C 2 56.168 56.168 58.080 -1.912 18080 1548 1 9 . 1 1 2 2 SER H H 2 8.902 8.902 8.181 0.721 18080 1549 1 9 . 1 1 3 3 GLN N N 3 123.740 123.740 123.823 -0.083 18080 1550 1 9 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.521 -0.192 18080 1551 1 9 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.913 -1.240 18080 1552 1 9 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.646 -3.367 18080 1553 1 9 . 1 1 3 3 GLN H H 3 8.817 8.817 8.637 0.180 18080 1554 1 9 . 1 1 4 4 LYS N N 4 120.182 120.182 120.684 -0.502 18080 1555 1 9 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.411 -0.125 18080 1556 1 9 . 1 1 4 4 LYS CA C 4 55.656 55.656 56.842 -1.186 18080 1557 1 9 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.928 -2.501 18080 1558 1 9 . 1 1 4 4 LYS H H 4 8.442 8.442 8.421 0.021 18080 1559 1 9 . 1 1 5 5 LEU N N 5 119.225 119.225 121.195 -1.970 18080 1560 1 9 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.245 0.088 18080 1561 1 9 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.692 -3.213 18080 1562 1 9 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.354 -1.897 18080 1563 1 9 . 1 1 5 5 LEU H H 5 8.181 8.181 8.253 -0.072 18080 1564 1 9 . 1 1 6 6 VAL N N 6 118.118 118.118 118.526 -0.408 18080 1565 1 9 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.667 0.192 18080 1566 1 9 . 1 1 6 6 VAL CA C 6 62.483 62.483 67.108 -4.625 18080 1567 1 9 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.539 -1.921 18080 1568 1 9 . 1 1 6 6 VAL H H 6 7.749 7.749 7.846 -0.097 18080 1569 1 9 . 1 1 7 7 PHE N N 7 119.494 119.494 119.877 -0.383 18080 1570 1 9 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.132 0.379 18080 1571 1 9 . 1 1 7 7 PHE CA C 7 57.016 57.016 60.940 -3.924 18080 1572 1 9 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.788 -2.605 18080 1573 1 9 . 1 1 7 7 PHE H H 7 7.989 7.989 8.025 -0.036 18080 1574 1 9 . 1 1 8 8 PHE N N 8 118.388 118.388 120.134 -1.746 18080 1575 1 9 . 1 1 8 8 PHE HA H 8 4.445 4.445 3.948 0.497 18080 1576 1 9 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.706 -4.269 18080 1577 1 9 . 1 1 8 8 PHE CB C 8 36.634 36.634 39.080 -2.446 18080 1578 1 9 . 1 1 8 8 PHE H H 8 8.031 8.031 7.810 0.221 18080 1579 1 9 . 1 1 9 9 ALA N N 9 120.899 120.899 121.327 -0.428 18080 1580 1 9 . 1 1 9 9 ALA HA H 9 4.066 4.066 4.043 0.023 18080 1581 1 9 . 1 1 9 9 ALA CA C 9 52.027 52.027 54.858 -2.831 18080 1582 1 9 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.030 -1.840 18080 1583 1 9 . 1 1 9 9 ALA H H 9 8.246 8.246 8.345 -0.099 18080 1584 1 9 . 1 1 10 10 GLU N N 10 115.098 115.098 118.457 -3.359 18080 1585 1 9 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.133 0.106 18080 1586 1 9 . 1 1 10 10 GLU CA C 10 55.032 55.032 57.600 -2.568 18080 1587 1 9 . 1 1 10 10 GLU CB C 10 26.033 26.033 30.019 -3.986 18080 1588 1 9 . 1 1 10 10 GLU H H 10 8.167 8.167 7.977 0.190 18080 1589 1 9 . 1 1 11 11 ASP N N 11 118.059 118.059 118.587 -0.528 18080 1590 1 9 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.290 0.421 18080 1591 1 9 . 1 1 11 11 ASP CA C 11 52.033 52.033 55.542 -3.510 18080 1592 1 9 . 1 1 11 11 ASP H H 11 8.174 8.174 7.643 0.531 18080 1593 1 9 . 1 1 12 12 VAL N N 12 116.474 116.474 116.600 -0.126 18080 1594 1 9 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.325 0.734 18080 1595 1 9 . 1 1 12 12 VAL CA C 12 61.057 61.057 63.035 -1.978 18080 1596 1 9 . 1 1 12 12 VAL CB C 12 29.513 29.513 29.506 0.007 18080 1597 1 9 . 1 1 12 12 VAL H H 12 7.846 7.846 7.942 -0.096 18080 1598 1 9 . 1 1 13 13 GLY N N 13 107.383 107.383 107.785 -0.402 18080 1599 1 9 . 1 1 13 13 GLY CA C 13 43.545 43.545 44.528 -0.983 18080 1600 1 9 . 1 1 13 13 GLY H H 13 8.163 8.163 7.405 0.758 18080 1601 1 9 . 1 1 14 14 SER N N 14 113.723 113.723 116.629 -2.906 18080 1602 1 9 . 1 1 14 14 SER HA H 14 4.567 4.567 4.548 0.019 18080 1603 1 9 . 1 1 14 14 SER CA C 14 56.065 56.065 58.949 -2.884 18080 1604 1 9 . 1 1 14 14 SER CB C 14 61.566 61.566 63.903 -2.337 18080 1605 1 9 . 1 1 14 14 SER H H 14 8.031 8.031 8.284 -0.253 18080 1606 1 9 . 1 1 15 15 ASN N N 15 120.384 120.384 122.492 -2.108 18080 1607 1 9 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.958 -0.069 18080 1608 1 9 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.632 -2.427 18080 1609 1 9 . 1 1 15 15 ASN CB C 15 36.680 36.680 39.323 -2.643 18080 1610 1 9 . 1 1 15 15 ASN H H 15 8.334 8.334 8.358 -0.024 18080 1611 1 9 . 1 1 16 16 LYS N N 16 121.348 121.348 118.964 2.384 18080 1612 1 9 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.521 -0.362 18080 1613 1 9 . 1 1 16 16 LYS CA C 16 56.438 56.438 56.683 -0.245 18080 1614 1 9 . 1 1 16 16 LYS CB C 16 30.170 30.170 33.697 -3.527 18080 1615 1 9 . 1 1 16 16 LYS H H 16 8.610 8.610 8.028 0.582 18080 1616 1 9 . 1 1 17 17 GLY N N 17 106.755 106.755 108.928 -2.173 18080 1617 1 9 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.894 -2.119 18080 1618 1 9 . 1 1 17 17 GLY H H 17 8.620 8.620 8.345 0.275 18080 1619 1 9 . 1 1 18 18 ALA N N 18 122.574 122.574 125.028 -2.454 18080 1620 1 9 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.003 0.197 18080 1621 1 9 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.928 -2.516 18080 1622 1 9 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.431 -2.219 18080 1623 1 9 . 1 1 18 18 ALA H H 18 8.099 8.099 8.353 -0.254 18080 1624 1 9 . 1 1 19 19 ILE N N 19 116.264 116.264 119.171 -2.907 18080 1625 1 9 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.644 0.254 18080 1626 1 9 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.143 -3.373 18080 1627 1 9 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.586 -2.452 18080 1628 1 9 . 1 1 19 19 ILE H H 19 7.899 7.899 8.065 -0.166 18080 1629 1 9 . 1 1 20 20 ILE N N 20 119.344 119.344 119.620 -0.276 18080 1630 1 9 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.615 0.224 18080 1631 1 9 . 1 1 20 20 ILE CA C 20 62.615 62.615 65.974 -3.359 18080 1632 1 9 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.518 -2.546 18080 1633 1 9 . 1 1 20 20 ILE H H 20 8.210 8.210 7.334 0.876 18080 1634 1 9 . 1 1 21 21 GLY N N 21 106.546 106.546 107.682 -1.136 18080 1635 1 9 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.090 -1.791 18080 1636 1 9 . 1 1 21 21 GLY H H 21 8.531 8.531 8.291 0.240 18080 1637 1 9 . 1 1 22 22 LEU N N 22 120.869 120.869 123.530 -2.661 18080 1638 1 9 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.233 -0.111 18080 1639 1 9 . 1 1 22 22 LEU CA C 22 55.894 55.894 58.081 -2.188 18080 1640 1 9 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.592 -1.884 18080 1641 1 9 . 1 1 22 22 LEU H H 22 8.310 8.310 8.509 -0.199 18080 1642 1 9 . 1 1 23 23 MET N N 23 117.191 117.191 118.700 -1.509 18080 1643 1 9 . 1 1 23 23 MET HA H 23 4.167 4.167 4.208 -0.041 18080 1644 1 9 . 1 1 23 23 MET CA C 23 56.961 56.961 58.286 -1.325 18080 1645 1 9 . 1 1 23 23 MET CB C 23 30.421 30.421 31.862 -1.441 18080 1646 1 9 . 1 1 23 23 MET H H 23 8.263 8.263 8.184 0.079 18080 1647 1 9 . 1 1 24 24 VAL N N 24 117.660 117.660 117.900 -0.240 18080 1648 1 9 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.710 -0.109 18080 1649 1 9 . 1 1 24 24 VAL CA C 24 64.681 64.681 67.036 -2.355 18080 1650 1 9 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.567 -1.700 18080 1651 1 9 . 1 1 24 24 VAL H H 24 8.682 8.682 8.835 -0.153 18080 1652 1 9 . 1 1 25 25 GLY N N 25 106.038 106.038 107.622 -1.584 18080 1653 1 9 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.134 -2.071 18080 1654 1 9 . 1 1 25 25 GLY H H 25 8.774 8.774 8.316 0.458 18080 1655 1 9 . 1 1 26 26 GLY N N 26 108.191 108.191 110.398 -2.207 18080 1656 1 9 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.866 -1.898 18080 1657 1 9 . 1 1 26 26 GLY H H 26 8.806 8.806 8.094 0.712 18080 1658 1 9 . 1 1 27 27 VAL N N 27 120.729 120.729 122.740 -2.011 18080 1659 1 9 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.605 0.092 18080 1660 1 9 . 1 1 27 27 VAL CA C 27 64.557 64.557 66.869 -2.312 18080 1661 1 9 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.665 -2.829 18080 1662 1 9 . 1 1 27 27 VAL H H 27 8.280 8.280 8.102 0.178 18080 1663 1 9 . 1 1 28 28 VAL N N 28 122.275 122.275 120.187 2.088 18080 1664 1 9 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.543 0.020 18080 1665 1 9 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.901 -1.621 18080 1666 1 9 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.656 -2.817 18080 1667 1 9 . 1 1 28 28 VAL H H 28 8.577 8.577 7.718 0.859 18080 1668 1 9 . 1 1 29 29 ILE N N 29 118.627 118.627 119.248 -0.621 18080 1669 1 9 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.545 0.116 18080 1670 1 9 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.350 -2.219 18080 1671 1 9 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.418 -2.649 18080 1672 1 9 . 1 1 29 29 ILE H H 29 8.527 8.527 8.211 0.316 18080 1673 1 9 . 1 1 30 30 ALA N N 30 120.541 120.541 121.872 -1.331 18080 1674 1 9 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.890 0.083 18080 1675 1 9 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.608 -2.226 18080 1676 1 9 . 1 1 30 30 ALA CB C 30 15.554 15.554 17.953 -2.399 18080 1677 1 9 . 1 1 30 30 ALA H H 30 8.645 8.645 8.106 0.539 18080 1678 1 9 . 1 1 31 31 THR N N 31 113.932 113.932 115.987 -2.055 18080 1679 1 9 . 1 1 31 31 THR HA H 31 3.775 3.775 3.909 -0.134 18080 1680 1 9 . 1 1 31 31 THR CA C 31 66.027 66.027 66.701 -0.674 18080 1681 1 9 . 1 1 31 31 THR CB C 31 65.255 65.255 68.255 -3.000 18080 1682 1 9 . 1 1 31 31 THR H H 31 8.238 8.238 8.237 0.001 18080 1683 1 9 . 1 1 32 32 VAL N N 32 120.206 120.206 121.326 -1.120 18080 1684 1 9 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.534 0.075 18080 1685 1 9 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.884 -2.215 18080 1686 1 9 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.504 -2.609 18080 1687 1 9 . 1 1 32 32 VAL H H 32 8.324 8.324 7.963 0.361 18080 1688 1 9 . 1 1 33 33 ILE N N 33 121.976 121.976 120.262 1.714 18080 1689 1 9 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.712 -0.055 18080 1690 1 9 . 1 1 33 33 ILE CA C 33 63.841 63.841 65.472 -1.631 18080 1691 1 9 . 1 1 33 33 ILE CB C 33 34.915 34.915 37.676 -2.761 18080 1692 1 9 . 1 1 33 33 ILE H H 33 8.520 8.520 8.037 0.483 18080 1693 1 9 . 1 1 34 34 VAL N N 34 119.099 119.099 120.534 -1.435 18080 1694 1 9 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.531 0.107 18080 1695 1 9 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.029 -1.351 18080 1696 1 9 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.556 -2.740 18080 1697 1 9 . 1 1 34 34 VAL H H 34 8.539 8.539 8.124 0.415 18080 1698 1 9 . 1 1 35 35 ILE N N 35 117.727 117.727 119.268 -1.541 18080 1699 1 9 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.694 -0.028 18080 1700 1 9 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.287 -0.951 18080 1701 1 9 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.461 -1.401 18080 1702 1 9 . 1 1 35 35 ILE H H 35 8.690 8.690 8.329 0.361 18080 1703 1 9 . 1 1 36 36 THR N N 36 116.743 116.743 115.138 1.605 18080 1704 1 9 . 1 1 36 36 THR HA H 36 3.776 3.776 3.950 -0.174 18080 1705 1 9 . 1 1 36 36 THR CA C 36 66.196 66.196 66.048 0.148 18080 1706 1 9 . 1 1 36 36 THR CB C 36 65.191 65.191 68.965 -3.774 18080 1707 1 9 . 1 1 36 36 THR H H 36 8.267 8.267 8.205 0.062 18080 1708 1 9 . 1 1 37 37 LEU N N 37 120.103 120.103 122.793 -2.690 18080 1709 1 9 . 1 1 37 37 LEU HA H 37 4.122 4.122 3.976 0.146 18080 1710 1 9 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.944 -1.875 18080 1711 1 9 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.584 -1.909 18080 1712 1 9 . 1 1 37 37 LEU H H 37 8.439 8.439 8.298 0.141 18080 1713 1 9 . 1 1 38 38 VAL N N 38 117.700 117.700 118.800 -1.100 18080 1714 1 9 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.693 0.029 18080 1715 1 9 . 1 1 38 38 VAL CA C 38 64.267 64.267 65.854 -1.587 18080 1716 1 9 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.514 -2.572 18080 1717 1 9 . 1 1 38 38 VAL H H 38 8.470 8.470 8.092 0.378 18080 1718 1 9 . 1 1 39 39 MET N N 39 117.431 117.431 119.295 -1.864 18080 1719 1 9 . 1 1 39 39 MET HA H 39 4.351 4.351 4.178 0.173 18080 1720 1 9 . 1 1 39 39 MET CA C 39 55.609 55.609 58.242 -2.632 18080 1721 1 9 . 1 1 39 39 MET CB C 39 29.560 29.560 31.960 -2.400 18080 1722 1 9 . 1 1 39 39 MET H H 39 8.513 8.513 8.312 0.201 18080 1723 1 9 . 1 1 40 40 LEU N N 40 117.760 117.760 120.865 -3.105 18080 1724 1 9 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.011 0.318 18080 1725 1 9 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.746 -3.437 18080 1726 1 9 . 1 1 40 40 LEU CB C 40 39.694 39.694 40.870 -1.175 18080 1727 1 9 . 1 1 40 40 LEU H H 40 8.399 8.399 8.542 -0.143 18080 1728 1 9 . 1 1 41 41 LYS N N 41 117.042 117.042 119.192 -2.150 18080 1729 1 9 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.082 0.261 18080 1730 1 9 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.823 -3.448 18080 1731 1 9 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.836 -2.687 18080 1732 1 9 . 1 1 41 41 LYS H H 41 7.928 7.928 7.741 0.187 18080 1733 1 9 . 1 1 42 42 LYS N N 42 119.285 119.285 119.070 0.215 18080 1734 1 9 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.188 0.223 18080 1735 1 9 . 1 1 42 42 LYS CA C 42 53.997 53.997 56.326 -2.329 18080 1736 1 9 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.927 -2.510 18080 1737 1 9 . 1 1 42 42 LYS H H 42 8.056 8.056 7.758 0.298 18080 1738 1 10 . 1 1 2 2 SER N N 2 116.055 116.055 115.622 0.433 18080 1739 1 10 . 1 1 2 2 SER HA H 2 4.722 4.722 4.324 0.398 18080 1740 1 10 . 1 1 2 2 SER CA C 2 56.168 56.168 59.688 -3.520 18080 1741 1 10 . 1 1 2 2 SER H H 2 8.902 8.902 8.710 0.192 18080 1742 1 10 . 1 1 3 3 GLN N N 3 123.740 123.740 119.966 3.774 18080 1743 1 10 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.456 -0.127 18080 1744 1 10 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.911 -1.237 18080 1745 1 10 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.529 -3.251 18080 1746 1 10 . 1 1 3 3 GLN H H 3 8.817 8.817 8.197 0.620 18080 1747 1 10 . 1 1 4 4 LYS N N 4 120.182 120.182 118.205 1.977 18080 1748 1 10 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.341 -0.055 18080 1749 1 10 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.250 -1.594 18080 1750 1 10 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.371 -1.944 18080 1751 1 10 . 1 1 4 4 LYS H H 4 8.442 8.442 8.198 0.244 18080 1752 1 10 . 1 1 5 5 LEU N N 5 119.225 119.225 121.723 -2.498 18080 1753 1 10 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.410 -0.077 18080 1754 1 10 . 1 1 5 5 LEU CA C 5 54.479 54.479 56.562 -2.083 18080 1755 1 10 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.911 -2.454 18080 1756 1 10 . 1 1 5 5 LEU H H 5 8.181 8.181 7.974 0.207 18080 1757 1 10 . 1 1 6 6 VAL N N 6 118.118 118.118 118.004 0.114 18080 1758 1 10 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.626 0.233 18080 1759 1 10 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.157 -3.675 18080 1760 1 10 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.523 -1.905 18080 1761 1 10 . 1 1 6 6 VAL H H 6 7.749 7.749 8.227 -0.478 18080 1762 1 10 . 1 1 7 7 PHE N N 7 119.494 119.494 118.164 1.330 18080 1763 1 10 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.167 0.344 18080 1764 1 10 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.957 -4.941 18080 1765 1 10 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.681 -2.498 18080 1766 1 10 . 1 1 7 7 PHE H H 7 7.989 7.989 8.067 -0.078 18080 1767 1 10 . 1 1 8 8 PHE N N 8 118.388 118.388 119.618 -1.230 18080 1768 1 10 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.156 0.289 18080 1769 1 10 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.272 -3.835 18080 1770 1 10 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.999 -2.365 18080 1771 1 10 . 1 1 8 8 PHE H H 8 8.031 8.031 8.037 -0.006 18080 1772 1 10 . 1 1 9 9 ALA N N 9 120.899 120.899 121.665 -0.766 18080 1773 1 10 . 1 1 9 9 ALA HA H 9 4.066 4.066 4.060 0.006 18080 1774 1 10 . 1 1 9 9 ALA CA C 9 52.027 52.027 54.984 -2.958 18080 1775 1 10 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.139 -1.949 18080 1776 1 10 . 1 1 9 9 ALA H H 9 8.246 8.246 8.357 -0.111 18080 1777 1 10 . 1 1 10 10 GLU N N 10 115.098 115.098 117.362 -2.264 18080 1778 1 10 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.181 0.058 18080 1779 1 10 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.053 -3.021 18080 1780 1 10 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.857 -3.824 18080 1781 1 10 . 1 1 10 10 GLU H H 10 8.167 8.167 7.927 0.240 18080 1782 1 10 . 1 1 11 11 ASP N N 11 118.059 118.059 118.639 -0.580 18080 1783 1 10 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.443 0.268 18080 1784 1 10 . 1 1 11 11 ASP CA C 11 52.033 52.033 55.754 -3.721 18080 1785 1 10 . 1 1 11 11 ASP H H 11 8.174 8.174 8.120 0.054 18080 1786 1 10 . 1 1 12 12 VAL N N 12 116.474 116.474 115.410 1.064 18080 1787 1 10 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.507 0.552 18080 1788 1 10 . 1 1 12 12 VAL CA C 12 61.057 61.057 63.103 -2.046 18080 1789 1 10 . 1 1 12 12 VAL CB C 12 29.513 29.513 28.740 0.773 18080 1790 1 10 . 1 1 12 12 VAL H H 12 7.846 7.846 8.226 -0.380 18080 1791 1 10 . 1 1 13 13 GLY N N 13 107.383 107.383 108.844 -1.461 18080 1792 1 10 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.140 -1.595 18080 1793 1 10 . 1 1 13 13 GLY H H 13 8.163 8.163 7.680 0.483 18080 1794 1 10 . 1 1 14 14 SER N N 14 113.723 113.723 115.478 -1.755 18080 1795 1 10 . 1 1 14 14 SER HA H 14 4.567 4.567 4.410 0.157 18080 1796 1 10 . 1 1 14 14 SER CA C 14 56.065 56.065 57.093 -1.028 18080 1797 1 10 . 1 1 14 14 SER CB C 14 61.566 61.566 64.082 -2.516 18080 1798 1 10 . 1 1 14 14 SER H H 14 8.031 8.031 7.786 0.245 18080 1799 1 10 . 1 1 15 15 ASN N N 15 120.384 120.384 119.952 0.432 18080 1800 1 10 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.587 0.302 18080 1801 1 10 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.345 -2.140 18080 1802 1 10 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.132 -1.452 18080 1803 1 10 . 1 1 15 15 ASN H H 15 8.334 8.334 8.414 -0.080 18080 1804 1 10 . 1 1 16 16 LYS N N 16 121.348 121.348 120.858 0.490 18080 1805 1 10 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.200 -0.041 18080 1806 1 10 . 1 1 16 16 LYS CA C 16 56.438 56.438 58.196 -1.758 18080 1807 1 10 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.547 -2.377 18080 1808 1 10 . 1 1 16 16 LYS H H 16 8.610 8.610 8.413 0.197 18080 1809 1 10 . 1 1 17 17 GLY N N 17 106.755 106.755 106.735 0.020 18080 1810 1 10 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.881 -2.106 18080 1811 1 10 . 1 1 17 17 GLY H H 17 8.620 8.620 8.864 -0.244 18080 1812 1 10 . 1 1 18 18 ALA N N 18 122.574 122.574 124.598 -2.024 18080 1813 1 10 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.057 0.143 18080 1814 1 10 . 1 1 18 18 ALA CA C 18 52.412 52.412 55.037 -2.625 18080 1815 1 10 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.373 -2.161 18080 1816 1 10 . 1 1 18 18 ALA H H 18 8.099 8.099 7.684 0.415 18080 1817 1 10 . 1 1 19 19 ILE N N 19 116.264 116.264 119.193 -2.929 18080 1818 1 10 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.669 0.229 18080 1819 1 10 . 1 1 19 19 ILE CA C 19 61.770 61.770 63.796 -2.026 18080 1820 1 10 . 1 1 19 19 ILE CB C 19 35.134 35.134 36.812 -1.678 18080 1821 1 10 . 1 1 19 19 ILE H H 19 7.899 7.899 7.538 0.361 18080 1822 1 10 . 1 1 20 20 ILE N N 20 119.344 119.344 119.708 -0.364 18080 1823 1 10 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.641 0.198 18080 1824 1 10 . 1 1 20 20 ILE CA C 20 62.615 62.615 65.999 -3.384 18080 1825 1 10 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.276 -2.304 18080 1826 1 10 . 1 1 20 20 ILE H H 20 8.210 8.210 7.503 0.707 18080 1827 1 10 . 1 1 21 21 GLY N N 21 106.546 106.546 107.504 -0.958 18080 1828 1 10 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.026 -1.727 18080 1829 1 10 . 1 1 21 21 GLY H H 21 8.531 8.531 8.280 0.251 18080 1830 1 10 . 1 1 22 22 LEU N N 22 120.869 120.869 123.631 -2.762 18080 1831 1 10 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.131 -0.009 18080 1832 1 10 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.958 -2.064 18080 1833 1 10 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.493 -1.785 18080 1834 1 10 . 1 1 22 22 LEU H H 22 8.310 8.310 8.382 -0.072 18080 1835 1 10 . 1 1 23 23 MET N N 23 117.191 117.191 118.606 -1.415 18080 1836 1 10 . 1 1 23 23 MET HA H 23 4.167 4.167 4.149 0.018 18080 1837 1 10 . 1 1 23 23 MET CA C 23 56.961 56.961 58.736 -1.775 18080 1838 1 10 . 1 1 23 23 MET CB C 23 30.421 30.421 32.156 -1.735 18080 1839 1 10 . 1 1 23 23 MET H H 23 8.263 8.263 8.137 0.126 18080 1840 1 10 . 1 1 24 24 VAL N N 24 117.660 117.660 117.816 -0.156 18080 1841 1 10 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.669 -0.068 18080 1842 1 10 . 1 1 24 24 VAL CA C 24 64.681 64.681 67.215 -2.534 18080 1843 1 10 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.831 -1.964 18080 1844 1 10 . 1 1 24 24 VAL H H 24 8.682 8.682 8.743 -0.061 18080 1845 1 10 . 1 1 25 25 GLY N N 25 106.038 106.038 107.483 -1.445 18080 1846 1 10 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.082 -2.019 18080 1847 1 10 . 1 1 25 25 GLY H H 25 8.774 8.774 8.245 0.529 18080 1848 1 10 . 1 1 26 26 GLY N N 26 108.191 108.191 110.351 -2.160 18080 1849 1 10 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.812 -1.844 18080 1850 1 10 . 1 1 26 26 GLY H H 26 8.806 8.806 8.039 0.767 18080 1851 1 10 . 1 1 27 27 VAL N N 27 120.729 120.729 122.668 -1.939 18080 1852 1 10 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.616 0.081 18080 1853 1 10 . 1 1 27 27 VAL CA C 27 64.557 64.557 66.718 -2.161 18080 1854 1 10 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.573 -2.737 18080 1855 1 10 . 1 1 27 27 VAL H H 27 8.280 8.280 8.111 0.169 18080 1856 1 10 . 1 1 28 28 VAL N N 28 122.275 122.275 120.370 1.905 18080 1857 1 10 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.648 -0.085 18080 1858 1 10 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.733 -1.453 18080 1859 1 10 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.137 -2.298 18080 1860 1 10 . 1 1 28 28 VAL H H 28 8.577 8.577 7.839 0.738 18080 1861 1 10 . 1 1 29 29 ILE N N 29 118.627 118.627 119.398 -0.771 18080 1862 1 10 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.631 0.030 18080 1863 1 10 . 1 1 29 29 ILE CA C 29 63.131 63.131 64.051 -0.920 18080 1864 1 10 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.227 -1.458 18080 1865 1 10 . 1 1 29 29 ILE H H 29 8.527 8.527 8.134 0.393 18080 1866 1 10 . 1 1 30 30 ALA N N 30 120.541 120.541 122.237 -1.696 18080 1867 1 10 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.913 0.060 18080 1868 1 10 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.639 -2.257 18080 1869 1 10 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.087 -2.533 18080 1870 1 10 . 1 1 30 30 ALA H H 30 8.645 8.645 8.200 0.445 18080 1871 1 10 . 1 1 31 31 THR N N 31 113.932 113.932 115.875 -1.943 18080 1872 1 10 . 1 1 31 31 THR HA H 31 3.775 3.775 3.934 -0.159 18080 1873 1 10 . 1 1 31 31 THR CA C 31 66.027 66.027 66.399 -0.372 18080 1874 1 10 . 1 1 31 31 THR CB C 31 65.255 65.255 68.240 -2.985 18080 1875 1 10 . 1 1 31 31 THR H H 31 8.238 8.238 8.249 -0.011 18080 1876 1 10 . 1 1 32 32 VAL N N 32 120.206 120.206 121.526 -1.320 18080 1877 1 10 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.643 -0.034 18080 1878 1 10 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.926 -2.257 18080 1879 1 10 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.176 -2.281 18080 1880 1 10 . 1 1 32 32 VAL H H 32 8.324 8.324 8.097 0.227 18080 1881 1 10 . 1 1 33 33 ILE N N 33 121.976 121.976 120.138 1.838 18080 1882 1 10 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.854 -0.197 18080 1883 1 10 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.710 0.131 18080 1884 1 10 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.438 -1.523 18080 1885 1 10 . 1 1 33 33 ILE H H 33 8.520 8.520 8.091 0.429 18080 1886 1 10 . 1 1 34 34 VAL N N 34 119.099 119.099 120.959 -1.860 18080 1887 1 10 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.680 -0.042 18080 1888 1 10 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.685 -1.007 18080 1889 1 10 . 1 1 34 34 VAL CB C 34 28.816 28.816 30.951 -2.135 18080 1890 1 10 . 1 1 34 34 VAL H H 34 8.539 8.539 8.257 0.282 18080 1891 1 10 . 1 1 35 35 ILE N N 35 117.727 117.727 119.488 -1.761 18080 1892 1 10 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.702 -0.036 18080 1893 1 10 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.608 -1.272 18080 1894 1 10 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.301 -1.241 18080 1895 1 10 . 1 1 35 35 ILE H H 35 8.690 8.690 8.581 0.109 18080 1896 1 10 . 1 1 36 36 THR N N 36 116.743 116.743 115.751 0.992 18080 1897 1 10 . 1 1 36 36 THR HA H 36 3.776 3.776 3.999 -0.223 18080 1898 1 10 . 1 1 36 36 THR CA C 36 66.196 66.196 65.879 0.317 18080 1899 1 10 . 1 1 36 36 THR CB C 36 65.191 65.191 68.645 -3.454 18080 1900 1 10 . 1 1 36 36 THR H H 36 8.267 8.267 8.262 0.005 18080 1901 1 10 . 1 1 37 37 LEU N N 37 120.103 120.103 123.052 -2.949 18080 1902 1 10 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.007 0.115 18080 1903 1 10 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.896 -1.827 18080 1904 1 10 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.665 -1.990 18080 1905 1 10 . 1 1 37 37 LEU H H 37 8.439 8.439 8.267 0.172 18080 1906 1 10 . 1 1 38 38 VAL N N 38 117.700 117.700 118.441 -0.741 18080 1907 1 10 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.566 0.156 18080 1908 1 10 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.853 -2.586 18080 1909 1 10 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.983 -3.042 18080 1910 1 10 . 1 1 38 38 VAL H H 38 8.470 8.470 7.995 0.475 18080 1911 1 10 . 1 1 39 39 MET N N 39 117.431 117.431 118.404 -0.973 18080 1912 1 10 . 1 1 39 39 MET HA H 39 4.351 4.351 4.076 0.275 18080 1913 1 10 . 1 1 39 39 MET CA C 39 55.609 55.609 58.278 -2.669 18080 1914 1 10 . 1 1 39 39 MET CB C 39 29.560 29.560 32.200 -2.639 18080 1915 1 10 . 1 1 39 39 MET H H 39 8.513 8.513 8.212 0.301 18080 1916 1 10 . 1 1 40 40 LEU N N 40 117.760 117.760 119.712 -1.952 18080 1917 1 10 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.026 0.303 18080 1918 1 10 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.804 -3.495 18080 1919 1 10 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.263 -1.569 18080 1920 1 10 . 1 1 40 40 LEU H H 40 8.399 8.399 8.356 0.043 18080 1921 1 10 . 1 1 41 41 LYS N N 41 117.042 117.042 116.918 0.124 18080 1922 1 10 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.099 0.244 18080 1923 1 10 . 1 1 41 41 LYS CA C 41 54.375 54.375 58.409 -4.034 18080 1924 1 10 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.770 -2.621 18080 1925 1 10 . 1 1 41 41 LYS H H 41 7.928 7.928 7.803 0.125 18080 1926 1 10 . 1 1 42 42 LYS N N 42 119.285 119.285 115.784 3.501 18080 1927 1 10 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.263 0.148 18080 1928 1 10 . 1 1 42 42 LYS CA C 42 53.997 53.997 56.390 -2.393 18080 1929 1 10 . 1 1 42 42 LYS CB C 42 30.417 30.417 33.989 -3.572 18080 1930 1 10 . 1 1 42 42 LYS H H 42 8.056 8.056 7.676 0.380 18080 1931 1 11 . 1 1 2 2 SER N N 2 116.055 116.055 113.369 2.686 18080 1932 1 11 . 1 1 2 2 SER HA H 2 4.722 4.722 4.465 0.257 18080 1933 1 11 . 1 1 2 2 SER CA C 2 56.168 56.168 59.327 -3.159 18080 1934 1 11 . 1 1 2 2 SER H H 2 8.902 8.902 8.478 0.424 18080 1935 1 11 . 1 1 3 3 GLN N N 3 123.740 123.740 118.988 4.752 18080 1936 1 11 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.659 -0.330 18080 1937 1 11 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.655 -0.981 18080 1938 1 11 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.327 -3.048 18080 1939 1 11 . 1 1 3 3 GLN H H 3 8.817 8.817 8.255 0.562 18080 1940 1 11 . 1 1 4 4 LYS N N 4 120.182 120.182 119.698 0.484 18080 1941 1 11 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.517 -0.231 18080 1942 1 11 . 1 1 4 4 LYS CA C 4 55.656 55.656 56.486 -0.830 18080 1943 1 11 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.848 -2.421 18080 1944 1 11 . 1 1 4 4 LYS H H 4 8.442 8.442 8.042 0.400 18080 1945 1 11 . 1 1 5 5 LEU N N 5 119.225 119.225 121.745 -2.520 18080 1946 1 11 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.150 0.183 18080 1947 1 11 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.590 -3.111 18080 1948 1 11 . 1 1 5 5 LEU CB C 5 39.457 39.457 42.057 -2.600 18080 1949 1 11 . 1 1 5 5 LEU H H 5 8.181 8.181 8.186 -0.005 18080 1950 1 11 . 1 1 6 6 VAL N N 6 118.118 118.118 117.934 0.184 18080 1951 1 11 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.674 0.185 18080 1952 1 11 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.735 -4.252 18080 1953 1 11 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.285 -1.667 18080 1954 1 11 . 1 1 6 6 VAL H H 6 7.749 7.749 7.858 -0.109 18080 1955 1 11 . 1 1 7 7 PHE N N 7 119.494 119.494 121.832 -2.338 18080 1956 1 11 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.105 0.406 18080 1957 1 11 . 1 1 7 7 PHE CA C 7 57.016 57.016 62.140 -5.124 18080 1958 1 11 . 1 1 7 7 PHE CB C 7 36.183 36.183 39.093 -2.910 18080 1959 1 11 . 1 1 7 7 PHE H H 7 7.989 7.989 7.702 0.287 18080 1960 1 11 . 1 1 8 8 PHE N N 8 118.388 118.388 118.047 0.341 18080 1961 1 11 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.189 0.256 18080 1962 1 11 . 1 1 8 8 PHE CA C 8 57.437 57.437 62.487 -5.050 18080 1963 1 11 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.420 -1.786 18080 1964 1 11 . 1 1 8 8 PHE H H 8 8.031 8.031 8.084 -0.053 18080 1965 1 11 . 1 1 9 9 ALA N N 9 120.899 120.899 122.148 -1.249 18080 1966 1 11 . 1 1 9 9 ALA HA H 9 4.066 4.066 4.020 0.046 18080 1967 1 11 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.439 -3.412 18080 1968 1 11 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.191 -2.001 18080 1969 1 11 . 1 1 9 9 ALA H H 9 8.246 8.246 8.570 -0.324 18080 1970 1 11 . 1 1 10 10 GLU N N 10 115.098 115.098 116.028 -0.930 18080 1971 1 11 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.132 0.107 18080 1972 1 11 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.394 -3.362 18080 1973 1 11 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.366 -3.333 18080 1974 1 11 . 1 1 10 10 GLU H H 10 8.167 8.167 8.050 0.117 18080 1975 1 11 . 1 1 11 11 ASP N N 11 118.059 118.059 119.414 -1.355 18080 1976 1 11 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.474 0.237 18080 1977 1 11 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.283 -4.250 18080 1978 1 11 . 1 1 11 11 ASP H H 11 8.174 8.174 8.214 -0.040 18080 1979 1 11 . 1 1 12 12 VAL N N 12 116.474 116.474 115.555 0.919 18080 1980 1 11 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.455 -0.396 18080 1981 1 11 . 1 1 12 12 VAL CA C 12 61.057 61.057 61.065 -0.008 18080 1982 1 11 . 1 1 12 12 VAL CB C 12 29.513 29.513 31.869 -2.356 18080 1983 1 11 . 1 1 12 12 VAL H H 12 7.846 7.846 7.962 -0.116 18080 1984 1 11 . 1 1 13 13 GLY N N 13 107.383 107.383 110.886 -3.503 18080 1985 1 11 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.055 -1.510 18080 1986 1 11 . 1 1 13 13 GLY H H 13 8.163 8.163 7.814 0.349 18080 1987 1 11 . 1 1 14 14 SER N N 14 113.723 113.723 117.467 -3.744 18080 1988 1 11 . 1 1 14 14 SER HA H 14 4.567 4.567 4.262 0.305 18080 1989 1 11 . 1 1 14 14 SER CA C 14 56.065 56.065 60.550 -4.486 18080 1990 1 11 . 1 1 14 14 SER CB C 14 61.566 61.566 63.412 -1.846 18080 1991 1 11 . 1 1 14 14 SER H H 14 8.031 8.031 8.705 -0.674 18080 1992 1 11 . 1 1 15 15 ASN N N 15 120.384 120.384 116.104 4.280 18080 1993 1 11 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.887 0.002 18080 1994 1 11 . 1 1 15 15 ASN CA C 15 51.205 51.205 52.666 -1.461 18080 1995 1 11 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.618 -1.938 18080 1996 1 11 . 1 1 15 15 ASN H H 15 8.334 8.334 8.165 0.169 18080 1997 1 11 . 1 1 16 16 LYS N N 16 121.348 121.348 122.682 -1.334 18080 1998 1 11 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.327 -0.168 18080 1999 1 11 . 1 1 16 16 LYS CA C 16 56.438 56.438 57.995 -1.557 18080 2000 1 11 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.412 -2.242 18080 2001 1 11 . 1 1 16 16 LYS H H 16 8.610 8.610 7.854 0.756 18080 2002 1 11 . 1 1 17 17 GLY N N 17 106.755 106.755 107.716 -0.961 18080 2003 1 11 . 1 1 17 17 GLY CA C 17 44.775 44.775 47.184 -2.409 18080 2004 1 11 . 1 1 17 17 GLY H H 17 8.620 8.620 8.321 0.299 18080 2005 1 11 . 1 1 18 18 ALA N N 18 122.574 122.574 123.288 -0.714 18080 2006 1 11 . 1 1 18 18 ALA HA H 18 4.200 4.200 3.945 0.255 18080 2007 1 11 . 1 1 18 18 ALA CA C 18 52.412 52.412 55.052 -2.640 18080 2008 1 11 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.460 -2.248 18080 2009 1 11 . 1 1 18 18 ALA H H 18 8.099 8.099 8.217 -0.118 18080 2010 1 11 . 1 1 19 19 ILE N N 19 116.264 116.264 119.116 -2.852 18080 2011 1 11 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.669 0.229 18080 2012 1 11 . 1 1 19 19 ILE CA C 19 61.770 61.770 63.698 -1.928 18080 2013 1 11 . 1 1 19 19 ILE CB C 19 35.134 35.134 36.853 -1.719 18080 2014 1 11 . 1 1 19 19 ILE H H 19 7.899 7.899 7.460 0.439 18080 2015 1 11 . 1 1 20 20 ILE N N 20 119.344 119.344 119.744 -0.400 18080 2016 1 11 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.617 0.222 18080 2017 1 11 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.061 -3.446 18080 2018 1 11 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.437 -2.465 18080 2019 1 11 . 1 1 20 20 ILE H H 20 8.210 8.210 7.472 0.738 18080 2020 1 11 . 1 1 21 21 GLY N N 21 106.546 106.546 107.353 -0.807 18080 2021 1 11 . 1 1 21 21 GLY CA C 21 45.299 45.299 46.949 -1.650 18080 2022 1 11 . 1 1 21 21 GLY H H 21 8.531 8.531 8.160 0.371 18080 2023 1 11 . 1 1 22 22 LEU N N 22 120.869 120.869 123.019 -2.150 18080 2024 1 11 . 1 1 22 22 LEU HA H 22 4.122 4.122 3.981 0.141 18080 2025 1 11 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.935 -2.041 18080 2026 1 11 . 1 1 22 22 LEU CB C 22 39.708 39.708 42.145 -2.437 18080 2027 1 11 . 1 1 22 22 LEU H H 22 8.310 8.310 8.369 -0.059 18080 2028 1 11 . 1 1 23 23 MET N N 23 117.191 117.191 118.258 -1.067 18080 2029 1 11 . 1 1 23 23 MET HA H 23 4.167 4.167 4.132 0.035 18080 2030 1 11 . 1 1 23 23 MET CA C 23 56.961 56.961 58.789 -1.828 18080 2031 1 11 . 1 1 23 23 MET CB C 23 30.421 30.421 32.015 -1.594 18080 2032 1 11 . 1 1 23 23 MET H H 23 8.263 8.263 8.115 0.148 18080 2033 1 11 . 1 1 24 24 VAL N N 24 117.660 117.660 118.042 -0.382 18080 2034 1 11 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.715 -0.114 18080 2035 1 11 . 1 1 24 24 VAL CA C 24 64.681 64.681 65.907 -1.226 18080 2036 1 11 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.382 -1.515 18080 2037 1 11 . 1 1 24 24 VAL H H 24 8.682 8.682 8.650 0.032 18080 2038 1 11 . 1 1 25 25 GLY N N 25 106.038 106.038 107.492 -1.454 18080 2039 1 11 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.117 -2.054 18080 2040 1 11 . 1 1 25 25 GLY H H 25 8.774 8.774 8.222 0.552 18080 2041 1 11 . 1 1 26 26 GLY N N 26 108.191 108.191 110.454 -2.263 18080 2042 1 11 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.824 -1.855 18080 2043 1 11 . 1 1 26 26 GLY H H 26 8.806 8.806 8.068 0.738 18080 2044 1 11 . 1 1 27 27 VAL N N 27 120.729 120.729 122.684 -1.955 18080 2045 1 11 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.636 0.061 18080 2046 1 11 . 1 1 27 27 VAL CA C 27 64.557 64.557 67.219 -2.662 18080 2047 1 11 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.775 -2.939 18080 2048 1 11 . 1 1 27 27 VAL H H 27 8.280 8.280 8.039 0.241 18080 2049 1 11 . 1 1 28 28 VAL N N 28 122.275 122.275 120.117 2.158 18080 2050 1 11 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.618 -0.055 18080 2051 1 11 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.632 -1.352 18080 2052 1 11 . 1 1 28 28 VAL CB C 28 28.839 28.839 30.979 -2.140 18080 2053 1 11 . 1 1 28 28 VAL H H 28 8.577 8.577 7.754 0.823 18080 2054 1 11 . 1 1 29 29 ILE N N 29 118.627 118.627 119.803 -1.176 18080 2055 1 11 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.675 -0.014 18080 2056 1 11 . 1 1 29 29 ILE CA C 29 63.131 63.131 64.206 -1.075 18080 2057 1 11 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.169 -1.400 18080 2058 1 11 . 1 1 29 29 ILE H H 29 8.527 8.527 8.330 0.197 18080 2059 1 11 . 1 1 30 30 ALA N N 30 120.541 120.541 122.268 -1.727 18080 2060 1 11 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.921 0.052 18080 2061 1 11 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.627 -2.245 18080 2062 1 11 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.111 -2.557 18080 2063 1 11 . 1 1 30 30 ALA H H 30 8.645 8.645 8.184 0.461 18080 2064 1 11 . 1 1 31 31 THR N N 31 113.932 113.932 115.817 -1.885 18080 2065 1 11 . 1 1 31 31 THR HA H 31 3.775 3.775 3.924 -0.149 18080 2066 1 11 . 1 1 31 31 THR CA C 31 66.027 66.027 66.407 -0.381 18080 2067 1 11 . 1 1 31 31 THR CB C 31 65.255 65.255 68.191 -2.936 18080 2068 1 11 . 1 1 31 31 THR H H 31 8.238 8.238 8.261 -0.023 18080 2069 1 11 . 1 1 32 32 VAL N N 32 120.206 120.206 121.148 -0.942 18080 2070 1 11 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.609 -0.000 18080 2071 1 11 . 1 1 32 32 VAL CA C 32 64.669 64.669 67.029 -2.360 18080 2072 1 11 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.157 -2.262 18080 2073 1 11 . 1 1 32 32 VAL H H 32 8.324 8.324 8.037 0.287 18080 2074 1 11 . 1 1 33 33 ILE N N 33 121.976 121.976 119.914 2.062 18080 2075 1 11 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.758 -0.101 18080 2076 1 11 . 1 1 33 33 ILE CA C 33 63.841 63.841 65.319 -1.478 18080 2077 1 11 . 1 1 33 33 ILE CB C 33 34.915 34.915 37.530 -2.615 18080 2078 1 11 . 1 1 33 33 ILE H H 33 8.520 8.520 8.125 0.395 18080 2079 1 11 . 1 1 34 34 VAL N N 34 119.099 119.099 120.484 -1.385 18080 2080 1 11 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.641 -0.003 18080 2081 1 11 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.272 -1.594 18080 2082 1 11 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.411 -2.595 18080 2083 1 11 . 1 1 34 34 VAL H H 34 8.539 8.539 7.918 0.621 18080 2084 1 11 . 1 1 35 35 ILE N N 35 117.727 117.727 119.709 -1.982 18080 2085 1 11 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.604 0.062 18080 2086 1 11 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.344 -2.008 18080 2087 1 11 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.409 -2.349 18080 2088 1 11 . 1 1 35 35 ILE H H 35 8.690 8.690 8.328 0.362 18080 2089 1 11 . 1 1 36 36 THR N N 36 116.743 116.743 114.763 1.980 18080 2090 1 11 . 1 1 36 36 THR HA H 36 3.776 3.776 4.005 -0.229 18080 2091 1 11 . 1 1 36 36 THR CA C 36 66.196 66.196 65.830 0.366 18080 2092 1 11 . 1 1 36 36 THR CB C 36 65.191 65.191 68.516 -3.325 18080 2093 1 11 . 1 1 36 36 THR H H 36 8.267 8.267 8.177 0.090 18080 2094 1 11 . 1 1 37 37 LEU N N 37 120.103 120.103 122.349 -2.246 18080 2095 1 11 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.076 0.046 18080 2096 1 11 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.976 -1.907 18080 2097 1 11 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.546 -1.871 18080 2098 1 11 . 1 1 37 37 LEU H H 37 8.439 8.439 8.071 0.368 18080 2099 1 11 . 1 1 38 38 VAL N N 38 117.700 117.700 119.109 -1.409 18080 2100 1 11 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.633 0.089 18080 2101 1 11 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.288 -2.021 18080 2102 1 11 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.394 -2.452 18080 2103 1 11 . 1 1 38 38 VAL H H 38 8.470 8.470 8.388 0.082 18080 2104 1 11 . 1 1 39 39 MET N N 39 117.431 117.431 116.398 1.033 18080 2105 1 11 . 1 1 39 39 MET HA H 39 4.351 4.351 4.214 0.137 18080 2106 1 11 . 1 1 39 39 MET CA C 39 55.609 55.609 58.327 -2.718 18080 2107 1 11 . 1 1 39 39 MET CB C 39 29.560 29.560 32.750 -3.190 18080 2108 1 11 . 1 1 39 39 MET H H 39 8.513 8.513 7.893 0.620 18080 2109 1 11 . 1 1 40 40 LEU N N 40 117.760 117.760 120.052 -2.292 18080 2110 1 11 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.238 0.091 18080 2111 1 11 . 1 1 40 40 LEU CA C 40 54.309 54.309 56.094 -1.785 18080 2112 1 11 . 1 1 40 40 LEU CB C 40 39.694 39.694 42.884 -3.190 18080 2113 1 11 . 1 1 40 40 LEU H H 40 8.399 8.399 7.714 0.685 18080 2114 1 11 . 1 1 41 41 LYS N N 41 117.042 117.042 119.068 -2.026 18080 2115 1 11 . 1 1 41 41 LYS HA H 41 4.343 4.343 3.997 0.346 18080 2116 1 11 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.040 -2.665 18080 2117 1 11 . 1 1 41 41 LYS CB C 41 30.149 30.149 30.690 -0.541 18080 2118 1 11 . 1 1 41 41 LYS H H 41 7.928 7.928 8.137 -0.209 18080 2119 1 11 . 1 1 42 42 LYS N N 42 119.285 119.285 124.892 -5.607 18080 2120 1 11 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.231 0.179 18080 2121 1 11 . 1 1 42 42 LYS CA C 42 53.997 53.997 55.835 -1.838 18080 2122 1 11 . 1 1 42 42 LYS CB C 42 30.417 30.417 33.106 -2.689 18080 2123 1 11 . 1 1 42 42 LYS H H 42 8.056 8.056 8.234 -0.178 18080 2124 1 12 . 1 1 2 2 SER N N 2 116.055 116.055 116.107 -0.052 18080 2125 1 12 . 1 1 2 2 SER HA H 2 4.722 4.722 4.651 0.071 18080 2126 1 12 . 1 1 2 2 SER CA C 2 56.168 56.168 59.085 -2.917 18080 2127 1 12 . 1 1 2 2 SER H H 2 8.902 8.902 8.768 0.134 18080 2128 1 12 . 1 1 3 3 GLN N N 3 123.740 123.740 118.937 4.803 18080 2129 1 12 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.599 -0.270 18080 2130 1 12 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.782 -1.108 18080 2131 1 12 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.540 -3.261 18080 2132 1 12 . 1 1 3 3 GLN H H 3 8.817 8.817 8.469 0.348 18080 2133 1 12 . 1 1 4 4 LYS N N 4 120.182 120.182 119.604 0.578 18080 2134 1 12 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.315 -0.029 18080 2135 1 12 . 1 1 4 4 LYS CA C 4 55.656 55.656 56.195 -0.539 18080 2136 1 12 . 1 1 4 4 LYS CB C 4 30.427 30.427 33.157 -2.730 18080 2137 1 12 . 1 1 4 4 LYS H H 4 8.442 8.442 8.187 0.255 18080 2138 1 12 . 1 1 5 5 LEU N N 5 119.225 119.225 122.817 -3.592 18080 2139 1 12 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.307 0.026 18080 2140 1 12 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.307 -2.828 18080 2141 1 12 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.591 -2.134 18080 2142 1 12 . 1 1 5 5 LEU H H 5 8.181 8.181 8.012 0.169 18080 2143 1 12 . 1 1 6 6 VAL N N 6 118.118 118.118 118.711 -0.593 18080 2144 1 12 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.697 0.162 18080 2145 1 12 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.318 -3.835 18080 2146 1 12 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.240 -1.622 18080 2147 1 12 . 1 1 6 6 VAL H H 6 7.749 7.749 8.042 -0.293 18080 2148 1 12 . 1 1 7 7 PHE N N 7 119.494 119.494 118.995 0.499 18080 2149 1 12 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.145 0.366 18080 2150 1 12 . 1 1 7 7 PHE CA C 7 57.016 57.016 62.137 -5.121 18080 2151 1 12 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.666 -2.483 18080 2152 1 12 . 1 1 7 7 PHE H H 7 7.989 7.989 8.141 -0.152 18080 2153 1 12 . 1 1 8 8 PHE N N 8 118.388 118.388 119.486 -1.098 18080 2154 1 12 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.195 0.250 18080 2155 1 12 . 1 1 8 8 PHE CA C 8 57.437 57.437 60.916 -3.479 18080 2156 1 12 . 1 1 8 8 PHE CB C 8 36.634 36.634 39.080 -2.446 18080 2157 1 12 . 1 1 8 8 PHE H H 8 8.031 8.031 7.844 0.187 18080 2158 1 12 . 1 1 9 9 ALA N N 9 120.899 120.899 123.004 -2.105 18080 2159 1 12 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.979 0.087 18080 2160 1 12 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.239 -3.212 18080 2161 1 12 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.325 -2.135 18080 2162 1 12 . 1 1 9 9 ALA H H 9 8.246 8.246 8.419 -0.173 18080 2163 1 12 . 1 1 10 10 GLU N N 10 115.098 115.098 116.268 -1.170 18080 2164 1 12 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.140 0.099 18080 2165 1 12 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.179 -3.147 18080 2166 1 12 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.691 -3.658 18080 2167 1 12 . 1 1 10 10 GLU H H 10 8.167 8.167 7.973 0.194 18080 2168 1 12 . 1 1 11 11 ASP N N 11 118.059 118.059 119.771 -1.712 18080 2169 1 12 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.453 0.258 18080 2170 1 12 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.399 -4.366 18080 2171 1 12 . 1 1 11 11 ASP H H 11 8.174 8.174 7.923 0.251 18080 2172 1 12 . 1 1 12 12 VAL N N 12 116.474 116.474 113.732 2.742 18080 2173 1 12 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.355 -0.296 18080 2174 1 12 . 1 1 12 12 VAL CA C 12 61.057 61.057 60.602 0.455 18080 2175 1 12 . 1 1 12 12 VAL CB C 12 29.513 29.513 32.183 -2.670 18080 2176 1 12 . 1 1 12 12 VAL H H 12 7.846 7.846 7.482 0.364 18080 2177 1 12 . 1 1 13 13 GLY N N 13 107.383 107.383 112.115 -4.732 18080 2178 1 12 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.275 -1.730 18080 2179 1 12 . 1 1 13 13 GLY H H 13 8.163 8.163 8.230 -0.067 18080 2180 1 12 . 1 1 14 14 SER N N 14 113.723 113.723 114.092 -0.369 18080 2181 1 12 . 1 1 14 14 SER HA H 14 4.567 4.567 4.412 0.155 18080 2182 1 12 . 1 1 14 14 SER CA C 14 56.065 56.065 58.001 -1.936 18080 2183 1 12 . 1 1 14 14 SER CB C 14 61.566 61.566 63.388 -1.822 18080 2184 1 12 . 1 1 14 14 SER H H 14 8.031 8.031 8.149 -0.118 18080 2185 1 12 . 1 1 15 15 ASN N N 15 120.384 120.384 121.284 -0.900 18080 2186 1 12 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.614 0.275 18080 2187 1 12 . 1 1 15 15 ASN CA C 15 51.205 51.205 54.876 -3.671 18080 2188 1 12 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.556 -1.876 18080 2189 1 12 . 1 1 15 15 ASN H H 15 8.334 8.334 8.545 -0.211 18080 2190 1 12 . 1 1 16 16 LYS N N 16 121.348 121.348 116.008 5.340 18080 2191 1 12 . 1 1 16 16 LYS HA H 16 4.159 4.159 3.791 0.368 18080 2192 1 12 . 1 1 16 16 LYS CA C 16 56.438 56.438 58.978 -2.540 18080 2193 1 12 . 1 1 16 16 LYS CB C 16 30.170 30.170 30.357 -0.187 18080 2194 1 12 . 1 1 16 16 LYS H H 16 8.610 8.610 8.084 0.526 18080 2195 1 12 . 1 1 17 17 GLY N N 17 106.755 106.755 107.633 -0.878 18080 2196 1 12 . 1 1 17 17 GLY CA C 17 44.775 44.775 47.066 -2.291 18080 2197 1 12 . 1 1 17 17 GLY H H 17 8.620 8.620 8.457 0.163 18080 2198 1 12 . 1 1 18 18 ALA N N 18 122.574 122.574 124.624 -2.050 18080 2199 1 12 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.042 0.158 18080 2200 1 12 . 1 1 18 18 ALA CA C 18 52.412 52.412 55.442 -3.030 18080 2201 1 12 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.348 -2.135 18080 2202 1 12 . 1 1 18 18 ALA H H 18 8.099 8.099 7.817 0.282 18080 2203 1 12 . 1 1 19 19 ILE N N 19 116.264 116.264 119.376 -3.112 18080 2204 1 12 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.697 0.201 18080 2205 1 12 . 1 1 19 19 ILE CA C 19 61.770 61.770 63.305 -1.535 18080 2206 1 12 . 1 1 19 19 ILE CB C 19 35.134 35.134 36.834 -1.700 18080 2207 1 12 . 1 1 19 19 ILE H H 19 7.899 7.899 8.018 -0.119 18080 2208 1 12 . 1 1 20 20 ILE N N 20 119.344 119.344 119.951 -0.607 18080 2209 1 12 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.602 0.237 18080 2210 1 12 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.148 -3.533 18080 2211 1 12 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.397 -2.425 18080 2212 1 12 . 1 1 20 20 ILE H H 20 8.210 8.210 8.427 -0.217 18080 2213 1 12 . 1 1 21 21 GLY N N 21 106.546 106.546 107.314 -0.768 18080 2214 1 12 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.025 -1.726 18080 2215 1 12 . 1 1 21 21 GLY H H 21 8.531 8.531 8.237 0.294 18080 2216 1 12 . 1 1 22 22 LEU N N 22 120.869 120.869 123.250 -2.381 18080 2217 1 12 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.125 -0.003 18080 2218 1 12 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.856 -1.962 18080 2219 1 12 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.898 -2.190 18080 2220 1 12 . 1 1 22 22 LEU H H 22 8.310 8.310 8.280 0.030 18080 2221 1 12 . 1 1 23 23 MET N N 23 117.191 117.191 118.235 -1.044 18080 2222 1 12 . 1 1 23 23 MET HA H 23 4.167 4.167 4.126 0.041 18080 2223 1 12 . 1 1 23 23 MET CA C 23 56.961 56.961 58.403 -1.442 18080 2224 1 12 . 1 1 23 23 MET CB C 23 30.421 30.421 31.849 -1.428 18080 2225 1 12 . 1 1 23 23 MET H H 23 8.263 8.263 8.068 0.195 18080 2226 1 12 . 1 1 24 24 VAL N N 24 117.660 117.660 118.166 -0.506 18080 2227 1 12 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.606 -0.005 18080 2228 1 12 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.494 -1.813 18080 2229 1 12 . 1 1 24 24 VAL CB C 24 28.867 28.867 31.188 -2.321 18080 2230 1 12 . 1 1 24 24 VAL H H 24 8.682 8.682 8.654 0.028 18080 2231 1 12 . 1 1 25 25 GLY N N 25 106.038 106.038 107.247 -1.209 18080 2232 1 12 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.037 -1.974 18080 2233 1 12 . 1 1 25 25 GLY H H 25 8.774 8.774 8.163 0.611 18080 2234 1 12 . 1 1 26 26 GLY N N 26 108.191 108.191 110.451 -2.260 18080 2235 1 12 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.814 -1.846 18080 2236 1 12 . 1 1 26 26 GLY H H 26 8.806 8.806 8.062 0.744 18080 2237 1 12 . 1 1 27 27 VAL N N 27 120.729 120.729 123.080 -2.351 18080 2238 1 12 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.633 0.064 18080 2239 1 12 . 1 1 27 27 VAL CA C 27 64.557 64.557 67.341 -2.784 18080 2240 1 12 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.855 -3.019 18080 2241 1 12 . 1 1 27 27 VAL H H 27 8.280 8.280 8.024 0.256 18080 2242 1 12 . 1 1 28 28 VAL N N 28 122.275 122.275 119.965 2.310 18080 2243 1 12 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.550 0.013 18080 2244 1 12 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.843 -1.563 18080 2245 1 12 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.541 -2.702 18080 2246 1 12 . 1 1 28 28 VAL H H 28 8.577 8.577 7.727 0.850 18080 2247 1 12 . 1 1 29 29 ILE N N 29 118.627 118.627 119.164 -0.537 18080 2248 1 12 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.647 0.014 18080 2249 1 12 . 1 1 29 29 ILE CA C 29 63.131 63.131 63.858 -0.727 18080 2250 1 12 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.341 -1.572 18080 2251 1 12 . 1 1 29 29 ILE H H 29 8.527 8.527 8.141 0.386 18080 2252 1 12 . 1 1 30 30 ALA N N 30 120.541 120.541 121.938 -1.397 18080 2253 1 12 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.900 0.073 18080 2254 1 12 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.537 -2.155 18080 2255 1 12 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.083 -2.529 18080 2256 1 12 . 1 1 30 30 ALA H H 30 8.645 8.645 8.116 0.529 18080 2257 1 12 . 1 1 31 31 THR N N 31 113.932 113.932 116.343 -2.411 18080 2258 1 12 . 1 1 31 31 THR HA H 31 3.775 3.775 3.833 -0.058 18080 2259 1 12 . 1 1 31 31 THR CA C 31 66.027 66.027 67.741 -1.714 18080 2260 1 12 . 1 1 31 31 THR CB C 31 65.255 65.255 68.696 -3.441 18080 2261 1 12 . 1 1 31 31 THR H H 31 8.238 8.238 8.185 0.053 18080 2262 1 12 . 1 1 32 32 VAL N N 32 120.206 120.206 121.701 -1.495 18080 2263 1 12 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.527 0.082 18080 2264 1 12 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.884 -2.215 18080 2265 1 12 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.389 -2.494 18080 2266 1 12 . 1 1 32 32 VAL H H 32 8.324 8.324 8.024 0.300 18080 2267 1 12 . 1 1 33 33 ILE N N 33 121.976 121.976 119.811 2.165 18080 2268 1 12 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.875 -0.218 18080 2269 1 12 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.405 0.436 18080 2270 1 12 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.299 -1.384 18080 2271 1 12 . 1 1 33 33 ILE H H 33 8.520 8.520 8.084 0.436 18080 2272 1 12 . 1 1 34 34 VAL N N 34 119.099 119.099 120.882 -1.783 18080 2273 1 12 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.698 -0.060 18080 2274 1 12 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.838 -1.160 18080 2275 1 12 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.133 -2.317 18080 2276 1 12 . 1 1 34 34 VAL H H 34 8.539 8.539 8.151 0.388 18080 2277 1 12 . 1 1 35 35 ILE N N 35 117.727 117.727 119.873 -2.146 18080 2278 1 12 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.702 -0.036 18080 2279 1 12 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.317 -0.981 18080 2280 1 12 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.415 -1.355 18080 2281 1 12 . 1 1 35 35 ILE H H 35 8.690 8.690 8.584 0.106 18080 2282 1 12 . 1 1 36 36 THR N N 36 116.743 116.743 115.310 1.433 18080 2283 1 12 . 1 1 36 36 THR HA H 36 3.776 3.776 3.955 -0.179 18080 2284 1 12 . 1 1 36 36 THR CA C 36 66.196 66.196 66.035 0.161 18080 2285 1 12 . 1 1 36 36 THR CB C 36 65.191 65.191 68.648 -3.457 18080 2286 1 12 . 1 1 36 36 THR H H 36 8.267 8.267 8.215 0.052 18080 2287 1 12 . 1 1 37 37 LEU N N 37 120.103 120.103 122.496 -2.393 18080 2288 1 12 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.036 0.086 18080 2289 1 12 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.933 -1.864 18080 2290 1 12 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.507 -1.832 18080 2291 1 12 . 1 1 37 37 LEU H H 37 8.439 8.439 7.998 0.441 18080 2292 1 12 . 1 1 38 38 VAL N N 38 117.700 117.700 118.359 -0.659 18080 2293 1 12 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.511 0.211 18080 2294 1 12 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.927 -2.660 18080 2295 1 12 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.424 -2.482 18080 2296 1 12 . 1 1 38 38 VAL H H 38 8.470 8.470 8.227 0.243 18080 2297 1 12 . 1 1 39 39 MET N N 39 117.431 117.431 116.303 1.128 18080 2298 1 12 . 1 1 39 39 MET HA H 39 4.351 4.351 4.218 0.133 18080 2299 1 12 . 1 1 39 39 MET CA C 39 55.609 55.609 58.437 -2.828 18080 2300 1 12 . 1 1 39 39 MET CB C 39 29.560 29.560 32.619 -3.059 18080 2301 1 12 . 1 1 39 39 MET H H 39 8.513 8.513 7.901 0.612 18080 2302 1 12 . 1 1 40 40 LEU N N 40 117.760 117.760 121.433 -3.673 18080 2303 1 12 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.009 0.320 18080 2304 1 12 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.550 -3.241 18080 2305 1 12 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.559 -1.865 18080 2306 1 12 . 1 1 40 40 LEU H H 40 8.399 8.399 8.263 0.136 18080 2307 1 12 . 1 1 41 41 LYS N N 41 117.042 117.042 117.070 -0.028 18080 2308 1 12 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.090 0.253 18080 2309 1 12 . 1 1 41 41 LYS CA C 41 54.375 54.375 58.729 -4.354 18080 2310 1 12 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.770 -2.620 18080 2311 1 12 . 1 1 41 41 LYS H H 41 7.928 7.928 7.475 0.453 18080 2312 1 12 . 1 1 42 42 LYS N N 42 119.285 119.285 120.479 -1.194 18080 2313 1 12 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.307 0.104 18080 2314 1 12 . 1 1 42 42 LYS CA C 42 53.997 53.997 56.605 -2.608 18080 2315 1 12 . 1 1 42 42 LYS CB C 42 30.417 30.417 31.559 -1.142 18080 2316 1 12 . 1 1 42 42 LYS H H 42 8.056 8.056 7.634 0.422 18080 2317 1 13 . 1 1 2 2 SER N N 2 116.055 116.055 118.322 -2.267 18080 2318 1 13 . 1 1 2 2 SER HA H 2 4.722 4.722 4.661 0.061 18080 2319 1 13 . 1 1 2 2 SER CA C 2 56.168 56.168 58.146 -1.978 18080 2320 1 13 . 1 1 2 2 SER H H 2 8.902 8.902 8.288 0.614 18080 2321 1 13 . 1 1 3 3 GLN N N 3 123.740 123.740 125.064 -1.324 18080 2322 1 13 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.432 -0.103 18080 2323 1 13 . 1 1 3 3 GLN CA C 3 54.674 54.674 56.282 -1.608 18080 2324 1 13 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.737 -3.458 18080 2325 1 13 . 1 1 3 3 GLN H H 3 8.817 8.817 8.506 0.311 18080 2326 1 13 . 1 1 4 4 LYS N N 4 120.182 120.182 120.487 -0.305 18080 2327 1 13 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.492 -0.206 18080 2328 1 13 . 1 1 4 4 LYS CA C 4 55.656 55.656 58.388 -2.732 18080 2329 1 13 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.160 -1.733 18080 2330 1 13 . 1 1 4 4 LYS H H 4 8.442 8.442 8.368 0.074 18080 2331 1 13 . 1 1 5 5 LEU N N 5 119.225 119.225 121.258 -2.033 18080 2332 1 13 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.266 0.067 18080 2333 1 13 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.300 -2.821 18080 2334 1 13 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.958 -2.501 18080 2335 1 13 . 1 1 5 5 LEU H H 5 8.181 8.181 8.188 -0.007 18080 2336 1 13 . 1 1 6 6 VAL N N 6 118.118 118.118 118.806 -0.688 18080 2337 1 13 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.523 0.336 18080 2338 1 13 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.382 -3.899 18080 2339 1 13 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.456 -1.838 18080 2340 1 13 . 1 1 6 6 VAL H H 6 7.749 7.749 7.913 -0.164 18080 2341 1 13 . 1 1 7 7 PHE N N 7 119.494 119.494 119.029 0.465 18080 2342 1 13 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.156 0.355 18080 2343 1 13 . 1 1 7 7 PHE CA C 7 57.016 57.016 62.059 -5.043 18080 2344 1 13 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.707 -2.524 18080 2345 1 13 . 1 1 7 7 PHE H H 7 7.989 7.989 7.556 0.433 18080 2346 1 13 . 1 1 8 8 PHE N N 8 118.388 118.388 119.969 -1.581 18080 2347 1 13 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.251 0.194 18080 2348 1 13 . 1 1 8 8 PHE CA C 8 57.437 57.437 59.505 -2.068 18080 2349 1 13 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.605 -1.971 18080 2350 1 13 . 1 1 8 8 PHE H H 8 8.031 8.031 8.016 0.015 18080 2351 1 13 . 1 1 9 9 ALA N N 9 120.899 120.899 123.079 -2.180 18080 2352 1 13 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.723 0.343 18080 2353 1 13 . 1 1 9 9 ALA CA C 9 52.027 52.027 54.798 -2.771 18080 2354 1 13 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.102 -1.912 18080 2355 1 13 . 1 1 9 9 ALA H H 9 8.246 8.246 8.097 0.149 18080 2356 1 13 . 1 1 10 10 GLU N N 10 115.098 115.098 116.758 -1.660 18080 2357 1 13 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.126 0.113 18080 2358 1 13 . 1 1 10 10 GLU CA C 10 55.032 55.032 57.855 -2.823 18080 2359 1 13 . 1 1 10 10 GLU CB C 10 26.033 26.033 30.023 -3.990 18080 2360 1 13 . 1 1 10 10 GLU H H 10 8.167 8.167 8.023 0.144 18080 2361 1 13 . 1 1 11 11 ASP N N 11 118.059 118.059 118.096 -0.037 18080 2362 1 13 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.554 0.157 18080 2363 1 13 . 1 1 11 11 ASP CA C 11 52.033 52.033 55.776 -3.743 18080 2364 1 13 . 1 1 11 11 ASP H H 11 8.174 8.174 8.208 -0.034 18080 2365 1 13 . 1 1 12 12 VAL N N 12 116.474 116.474 116.131 0.343 18080 2366 1 13 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.534 0.525 18080 2367 1 13 . 1 1 12 12 VAL CA C 12 61.057 61.057 63.591 -2.534 18080 2368 1 13 . 1 1 12 12 VAL CB C 12 29.513 29.513 28.748 0.765 18080 2369 1 13 . 1 1 12 12 VAL H H 12 7.846 7.846 8.234 -0.388 18080 2370 1 13 . 1 1 13 13 GLY N N 13 107.383 107.383 106.318 1.065 18080 2371 1 13 . 1 1 13 13 GLY CA C 13 43.545 43.545 44.583 -1.038 18080 2372 1 13 . 1 1 13 13 GLY H H 13 8.163 8.163 7.617 0.546 18080 2373 1 13 . 1 1 14 14 SER N N 14 113.723 113.723 114.286 -0.563 18080 2374 1 13 . 1 1 14 14 SER HA H 14 4.567 4.567 4.444 0.123 18080 2375 1 13 . 1 1 14 14 SER CA C 14 56.065 56.065 59.527 -3.462 18080 2376 1 13 . 1 1 14 14 SER CB C 14 61.566 61.566 64.206 -2.640 18080 2377 1 13 . 1 1 14 14 SER H H 14 8.031 8.031 8.390 -0.359 18080 2378 1 13 . 1 1 15 15 ASN N N 15 120.384 120.384 117.890 2.494 18080 2379 1 13 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.881 0.008 18080 2380 1 13 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.270 -2.065 18080 2381 1 13 . 1 1 15 15 ASN CB C 15 36.680 36.680 39.261 -2.581 18080 2382 1 13 . 1 1 15 15 ASN H H 15 8.334 8.334 8.222 0.112 18080 2383 1 13 . 1 1 16 16 LYS N N 16 121.348 121.348 118.369 2.979 18080 2384 1 13 . 1 1 16 16 LYS HA H 16 4.159 4.159 3.843 0.316 18080 2385 1 13 . 1 1 16 16 LYS CA C 16 56.438 56.438 59.011 -2.573 18080 2386 1 13 . 1 1 16 16 LYS CB C 16 30.170 30.170 31.228 -1.058 18080 2387 1 13 . 1 1 16 16 LYS H H 16 8.610 8.610 8.296 0.314 18080 2388 1 13 . 1 1 17 17 GLY N N 17 106.755 106.755 106.898 -0.143 18080 2389 1 13 . 1 1 17 17 GLY CA C 17 44.775 44.775 47.130 -2.355 18080 2390 1 13 . 1 1 17 17 GLY H H 17 8.620 8.620 8.435 0.185 18080 2391 1 13 . 1 1 18 18 ALA N N 18 122.574 122.574 124.771 -2.197 18080 2392 1 13 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.064 0.136 18080 2393 1 13 . 1 1 18 18 ALA CA C 18 52.412 52.412 55.403 -2.991 18080 2394 1 13 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.334 -2.122 18080 2395 1 13 . 1 1 18 18 ALA H H 18 8.099 8.099 8.219 -0.120 18080 2396 1 13 . 1 1 19 19 ILE N N 19 116.264 116.264 119.320 -3.056 18080 2397 1 13 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.698 0.200 18080 2398 1 13 . 1 1 19 19 ILE CA C 19 61.770 61.770 63.304 -1.534 18080 2399 1 13 . 1 1 19 19 ILE CB C 19 35.134 35.134 36.834 -1.700 18080 2400 1 13 . 1 1 19 19 ILE H H 19 7.899 7.899 8.023 -0.124 18080 2401 1 13 . 1 1 20 20 ILE N N 20 119.344 119.344 119.962 -0.618 18080 2402 1 13 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.617 0.222 18080 2403 1 13 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.139 -3.524 18080 2404 1 13 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.413 -2.441 18080 2405 1 13 . 1 1 20 20 ILE H H 20 8.210 8.210 8.212 -0.002 18080 2406 1 13 . 1 1 21 21 GLY N N 21 106.546 106.546 107.313 -0.767 18080 2407 1 13 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.032 -1.733 18080 2408 1 13 . 1 1 21 21 GLY H H 21 8.531 8.531 8.242 0.289 18080 2409 1 13 . 1 1 22 22 LEU N N 22 120.869 120.869 123.235 -2.366 18080 2410 1 13 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.113 0.009 18080 2411 1 13 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.880 -1.986 18080 2412 1 13 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.911 -2.204 18080 2413 1 13 . 1 1 22 22 LEU H H 22 8.310 8.310 8.274 0.036 18080 2414 1 13 . 1 1 23 23 MET N N 23 117.191 117.191 117.992 -0.801 18080 2415 1 13 . 1 1 23 23 MET HA H 23 4.167 4.167 4.134 0.033 18080 2416 1 13 . 1 1 23 23 MET CA C 23 56.961 56.961 58.358 -1.397 18080 2417 1 13 . 1 1 23 23 MET CB C 23 30.421 30.421 31.726 -1.305 18080 2418 1 13 . 1 1 23 23 MET H H 23 8.263 8.263 8.084 0.179 18080 2419 1 13 . 1 1 24 24 VAL N N 24 117.660 117.660 118.328 -0.668 18080 2420 1 13 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.619 -0.018 18080 2421 1 13 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.522 -1.841 18080 2422 1 13 . 1 1 24 24 VAL CB C 24 28.867 28.867 31.159 -2.292 18080 2423 1 13 . 1 1 24 24 VAL H H 24 8.682 8.682 8.673 0.009 18080 2424 1 13 . 1 1 25 25 GLY N N 25 106.038 106.038 107.271 -1.233 18080 2425 1 13 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.047 -1.984 18080 2426 1 13 . 1 1 25 25 GLY H H 25 8.774 8.774 8.162 0.612 18080 2427 1 13 . 1 1 26 26 GLY N N 26 108.191 108.191 110.352 -2.161 18080 2428 1 13 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.830 -1.862 18080 2429 1 13 . 1 1 26 26 GLY H H 26 8.806 8.806 8.043 0.763 18080 2430 1 13 . 1 1 27 27 VAL N N 27 120.729 120.729 122.758 -2.029 18080 2431 1 13 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.600 0.097 18080 2432 1 13 . 1 1 27 27 VAL CA C 27 64.557 64.557 66.865 -2.308 18080 2433 1 13 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.657 -2.821 18080 2434 1 13 . 1 1 27 27 VAL H H 27 8.280 8.280 8.086 0.194 18080 2435 1 13 . 1 1 28 28 VAL N N 28 122.275 122.275 120.157 2.118 18080 2436 1 13 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.543 0.020 18080 2437 1 13 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.983 -1.703 18080 2438 1 13 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.676 -2.837 18080 2439 1 13 . 1 1 28 28 VAL H H 28 8.577 8.577 7.713 0.864 18080 2440 1 13 . 1 1 29 29 ILE N N 29 118.627 118.627 119.191 -0.564 18080 2441 1 13 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.555 0.106 18080 2442 1 13 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.366 -2.235 18080 2443 1 13 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.446 -2.677 18080 2444 1 13 . 1 1 29 29 ILE H H 29 8.527 8.527 8.139 0.388 18080 2445 1 13 . 1 1 30 30 ALA N N 30 120.541 120.541 121.722 -1.181 18080 2446 1 13 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.891 0.082 18080 2447 1 13 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.510 -2.128 18080 2448 1 13 . 1 1 30 30 ALA CB C 30 15.554 15.554 17.975 -2.421 18080 2449 1 13 . 1 1 30 30 ALA H H 30 8.645 8.645 8.087 0.558 18080 2450 1 13 . 1 1 31 31 THR N N 31 113.932 113.932 116.127 -2.195 18080 2451 1 13 . 1 1 31 31 THR HA H 31 3.775 3.775 3.877 -0.102 18080 2452 1 13 . 1 1 31 31 THR CA C 31 66.027 66.027 67.385 -1.358 18080 2453 1 13 . 1 1 31 31 THR CB C 31 65.255 65.255 68.739 -3.484 18080 2454 1 13 . 1 1 31 31 THR H H 31 8.238 8.238 8.180 0.058 18080 2455 1 13 . 1 1 32 32 VAL N N 32 120.206 120.206 121.937 -1.731 18080 2456 1 13 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.647 -0.038 18080 2457 1 13 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.999 -2.330 18080 2458 1 13 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.228 -2.333 18080 2459 1 13 . 1 1 32 32 VAL H H 32 8.324 8.324 8.125 0.199 18080 2460 1 13 . 1 1 33 33 ILE N N 33 121.976 121.976 120.028 1.948 18080 2461 1 13 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.862 -0.205 18080 2462 1 13 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.819 0.022 18080 2463 1 13 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.388 -1.473 18080 2464 1 13 . 1 1 33 33 ILE H H 33 8.520 8.520 8.066 0.454 18080 2465 1 13 . 1 1 34 34 VAL N N 34 119.099 119.099 120.529 -1.430 18080 2466 1 13 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.652 -0.014 18080 2467 1 13 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.894 -1.216 18080 2468 1 13 . 1 1 34 34 VAL CB C 34 28.816 28.816 30.966 -2.150 18080 2469 1 13 . 1 1 34 34 VAL H H 34 8.539 8.539 8.189 0.350 18080 2470 1 13 . 1 1 35 35 ILE N N 35 117.727 117.727 119.930 -2.203 18080 2471 1 13 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.616 0.050 18080 2472 1 13 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.633 -2.297 18080 2473 1 13 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.559 -2.499 18080 2474 1 13 . 1 1 35 35 ILE H H 35 8.690 8.690 8.583 0.107 18080 2475 1 13 . 1 1 36 36 THR N N 36 116.743 116.743 115.063 1.680 18080 2476 1 13 . 1 1 36 36 THR HA H 36 3.776 3.776 3.932 -0.156 18080 2477 1 13 . 1 1 36 36 THR CA C 36 66.196 66.196 66.015 0.181 18080 2478 1 13 . 1 1 36 36 THR CB C 36 65.191 65.191 68.628 -3.437 18080 2479 1 13 . 1 1 36 36 THR H H 36 8.267 8.267 8.206 0.061 18080 2480 1 13 . 1 1 37 37 LEU N N 37 120.103 120.103 122.445 -2.342 18080 2481 1 13 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.006 0.116 18080 2482 1 13 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.970 -1.901 18080 2483 1 13 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.482 -1.807 18080 2484 1 13 . 1 1 37 37 LEU H H 37 8.439 8.439 7.964 0.475 18080 2485 1 13 . 1 1 38 38 VAL N N 38 117.700 117.700 118.996 -1.296 18080 2486 1 13 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.550 0.172 18080 2487 1 13 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.432 -2.165 18080 2488 1 13 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.261 -2.319 18080 2489 1 13 . 1 1 38 38 VAL H H 38 8.470 8.470 8.211 0.259 18080 2490 1 13 . 1 1 39 39 MET N N 39 117.431 117.431 116.773 0.658 18080 2491 1 13 . 1 1 39 39 MET HA H 39 4.351 4.351 4.202 0.149 18080 2492 1 13 . 1 1 39 39 MET CA C 39 55.609 55.609 58.464 -2.855 18080 2493 1 13 . 1 1 39 39 MET CB C 39 29.560 29.560 32.316 -2.756 18080 2494 1 13 . 1 1 39 39 MET H H 39 8.513 8.513 7.912 0.601 18080 2495 1 13 . 1 1 40 40 LEU N N 40 117.760 117.760 121.044 -3.284 18080 2496 1 13 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.011 0.318 18080 2497 1 13 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.725 -3.416 18080 2498 1 13 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.226 -1.532 18080 2499 1 13 . 1 1 40 40 LEU H H 40 8.399 8.399 8.229 0.170 18080 2500 1 13 . 1 1 41 41 LYS N N 41 117.042 117.042 118.105 -1.063 18080 2501 1 13 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.122 0.221 18080 2502 1 13 . 1 1 41 41 LYS CA C 41 54.375 54.375 56.769 -2.394 18080 2503 1 13 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.743 -2.594 18080 2504 1 13 . 1 1 41 41 LYS H H 41 7.928 7.928 7.538 0.390 18080 2505 1 13 . 1 1 42 42 LYS N N 42 119.285 119.285 117.188 2.097 18080 2506 1 13 . 1 1 42 42 LYS HA H 42 4.411 4.411 3.952 0.459 18080 2507 1 13 . 1 1 42 42 LYS CA C 42 53.997 53.997 57.161 -3.164 18080 2508 1 13 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.657 -2.240 18080 2509 1 13 . 1 1 42 42 LYS H H 42 8.056 8.056 7.856 0.200 18080 2510 1 14 . 1 1 2 2 SER N N 2 116.055 116.055 115.923 0.132 18080 2511 1 14 . 1 1 2 2 SER HA H 2 4.722 4.722 4.456 0.266 18080 2512 1 14 . 1 1 2 2 SER CA C 2 56.168 56.168 59.761 -3.593 18080 2513 1 14 . 1 1 2 2 SER H H 2 8.902 8.902 8.050 0.852 18080 2514 1 14 . 1 1 3 3 GLN N N 3 123.740 123.740 116.756 6.984 18080 2515 1 14 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.571 -0.242 18080 2516 1 14 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.568 -0.894 18080 2517 1 14 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.640 -3.361 18080 2518 1 14 . 1 1 3 3 GLN H H 3 8.817 8.817 8.058 0.759 18080 2519 1 14 . 1 1 4 4 LYS N N 4 120.182 120.182 120.230 -0.048 18080 2520 1 14 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.111 0.175 18080 2521 1 14 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.569 -1.913 18080 2522 1 14 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.205 -1.778 18080 2523 1 14 . 1 1 4 4 LYS H H 4 8.442 8.442 8.290 0.152 18080 2524 1 14 . 1 1 5 5 LEU N N 5 119.225 119.225 121.530 -2.305 18080 2525 1 14 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.407 -0.074 18080 2526 1 14 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.161 -2.682 18080 2527 1 14 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.769 -2.312 18080 2528 1 14 . 1 1 5 5 LEU H H 5 8.181 8.181 7.945 0.236 18080 2529 1 14 . 1 1 6 6 VAL N N 6 118.118 118.118 118.609 -0.491 18080 2530 1 14 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.628 0.231 18080 2531 1 14 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.067 -3.584 18080 2532 1 14 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.495 -1.877 18080 2533 1 14 . 1 1 6 6 VAL H H 6 7.749 7.749 8.102 -0.353 18080 2534 1 14 . 1 1 7 7 PHE N N 7 119.494 119.494 118.919 0.575 18080 2535 1 14 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.198 0.313 18080 2536 1 14 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.243 -4.227 18080 2537 1 14 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.456 -2.273 18080 2538 1 14 . 1 1 7 7 PHE H H 7 7.989 7.989 8.005 -0.016 18080 2539 1 14 . 1 1 8 8 PHE N N 8 118.388 118.388 119.918 -1.530 18080 2540 1 14 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.160 0.285 18080 2541 1 14 . 1 1 8 8 PHE CA C 8 57.437 57.437 60.759 -3.322 18080 2542 1 14 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.884 -2.250 18080 2543 1 14 . 1 1 8 8 PHE H H 8 8.031 8.031 7.849 0.182 18080 2544 1 14 . 1 1 9 9 ALA N N 9 120.899 120.899 122.170 -1.271 18080 2545 1 14 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.958 0.108 18080 2546 1 14 . 1 1 9 9 ALA CA C 9 52.027 52.027 54.693 -2.666 18080 2547 1 14 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.091 -1.901 18080 2548 1 14 . 1 1 9 9 ALA H H 9 8.246 8.246 8.253 -0.007 18080 2549 1 14 . 1 1 10 10 GLU N N 10 115.098 115.098 117.823 -2.725 18080 2550 1 14 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.105 0.134 18080 2551 1 14 . 1 1 10 10 GLU CA C 10 55.032 55.032 57.696 -2.664 18080 2552 1 14 . 1 1 10 10 GLU CB C 10 26.033 26.033 30.090 -4.057 18080 2553 1 14 . 1 1 10 10 GLU H H 10 8.167 8.167 8.050 0.117 18080 2554 1 14 . 1 1 11 11 ASP N N 11 118.059 118.059 119.692 -1.633 18080 2555 1 14 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.472 0.239 18080 2556 1 14 . 1 1 11 11 ASP CA C 11 52.033 52.033 55.525 -3.492 18080 2557 1 14 . 1 1 11 11 ASP H H 11 8.174 8.174 7.923 0.251 18080 2558 1 14 . 1 1 12 12 VAL N N 12 116.474 116.474 116.497 -0.023 18080 2559 1 14 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.317 0.742 18080 2560 1 14 . 1 1 12 12 VAL CA C 12 61.057 61.057 62.651 -1.594 18080 2561 1 14 . 1 1 12 12 VAL CB C 12 29.513 29.513 28.878 0.635 18080 2562 1 14 . 1 1 12 12 VAL H H 12 7.846 7.846 7.890 -0.044 18080 2563 1 14 . 1 1 13 13 GLY N N 13 107.383 107.383 105.816 1.567 18080 2564 1 14 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.069 -1.524 18080 2565 1 14 . 1 1 13 13 GLY H H 13 8.163 8.163 7.861 0.302 18080 2566 1 14 . 1 1 14 14 SER N N 14 113.723 113.723 115.844 -2.121 18080 2567 1 14 . 1 1 14 14 SER HA H 14 4.567 4.567 4.656 -0.089 18080 2568 1 14 . 1 1 14 14 SER CA C 14 56.065 56.065 58.097 -2.032 18080 2569 1 14 . 1 1 14 14 SER CB C 14 61.566 61.566 64.032 -2.466 18080 2570 1 14 . 1 1 14 14 SER H H 14 8.031 8.031 8.490 -0.459 18080 2571 1 14 . 1 1 15 15 ASN N N 15 120.384 120.384 121.410 -1.026 18080 2572 1 14 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.964 -0.075 18080 2573 1 14 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.893 -2.688 18080 2574 1 14 . 1 1 15 15 ASN CB C 15 36.680 36.680 39.491 -2.811 18080 2575 1 14 . 1 1 15 15 ASN H H 15 8.334 8.334 8.608 -0.274 18080 2576 1 14 . 1 1 16 16 LYS N N 16 121.348 121.348 118.921 2.427 18080 2577 1 14 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.477 -0.318 18080 2578 1 14 . 1 1 16 16 LYS CA C 16 56.438 56.438 56.753 -0.315 18080 2579 1 14 . 1 1 16 16 LYS CB C 16 30.170 30.170 33.257 -3.087 18080 2580 1 14 . 1 1 16 16 LYS H H 16 8.610 8.610 8.010 0.600 18080 2581 1 14 . 1 1 17 17 GLY N N 17 106.755 106.755 109.444 -2.689 18080 2582 1 14 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.456 -1.681 18080 2583 1 14 . 1 1 17 17 GLY H H 17 8.620 8.620 8.685 -0.065 18080 2584 1 14 . 1 1 18 18 ALA N N 18 122.574 122.574 125.550 -2.976 18080 2585 1 14 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.070 0.130 18080 2586 1 14 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.758 -2.346 18080 2587 1 14 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.581 -2.369 18080 2588 1 14 . 1 1 18 18 ALA H H 18 8.099 8.099 8.375 -0.276 18080 2589 1 14 . 1 1 19 19 ILE N N 19 116.264 116.264 119.209 -2.945 18080 2590 1 14 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.610 0.288 18080 2591 1 14 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.310 -3.540 18080 2592 1 14 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.639 -2.505 18080 2593 1 14 . 1 1 19 19 ILE H H 19 7.899 7.899 8.054 -0.155 18080 2594 1 14 . 1 1 20 20 ILE N N 20 119.344 119.344 120.069 -0.725 18080 2595 1 14 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.588 0.251 18080 2596 1 14 . 1 1 20 20 ILE CA C 20 62.615 62.615 65.881 -3.266 18080 2597 1 14 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.528 -2.556 18080 2598 1 14 . 1 1 20 20 ILE H H 20 8.210 8.210 7.349 0.861 18080 2599 1 14 . 1 1 21 21 GLY N N 21 106.546 106.546 107.331 -0.785 18080 2600 1 14 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.044 -1.745 18080 2601 1 14 . 1 1 21 21 GLY H H 21 8.531 8.531 8.227 0.304 18080 2602 1 14 . 1 1 22 22 LEU N N 22 120.869 120.869 123.384 -2.515 18080 2603 1 14 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.056 0.066 18080 2604 1 14 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.666 -1.772 18080 2605 1 14 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.795 -2.087 18080 2606 1 14 . 1 1 22 22 LEU H H 22 8.310 8.310 8.335 -0.025 18080 2607 1 14 . 1 1 23 23 MET N N 23 117.191 117.191 118.446 -1.255 18080 2608 1 14 . 1 1 23 23 MET HA H 23 4.167 4.167 4.033 0.134 18080 2609 1 14 . 1 1 23 23 MET CA C 23 56.961 56.961 59.889 -2.928 18080 2610 1 14 . 1 1 23 23 MET CB C 23 30.421 30.421 32.671 -2.250 18080 2611 1 14 . 1 1 23 23 MET H H 23 8.263 8.263 8.059 0.204 18080 2612 1 14 . 1 1 24 24 VAL N N 24 117.660 117.660 118.276 -0.616 18080 2613 1 14 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.661 -0.060 18080 2614 1 14 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.325 -1.644 18080 2615 1 14 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.566 -1.699 18080 2616 1 14 . 1 1 24 24 VAL H H 24 8.682 8.682 8.603 0.079 18080 2617 1 14 . 1 1 25 25 GLY N N 25 106.038 106.038 107.390 -1.352 18080 2618 1 14 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.075 -2.011 18080 2619 1 14 . 1 1 25 25 GLY H H 25 8.774 8.774 8.206 0.568 18080 2620 1 14 . 1 1 26 26 GLY N N 26 108.191 108.191 110.163 -1.972 18080 2621 1 14 . 1 1 26 26 GLY CA C 26 44.968 44.968 47.034 -2.066 18080 2622 1 14 . 1 1 26 26 GLY H H 26 8.806 8.806 8.095 0.711 18080 2623 1 14 . 1 1 27 27 VAL N N 27 120.729 120.729 122.845 -2.116 18080 2624 1 14 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.772 -0.075 18080 2625 1 14 . 1 1 27 27 VAL CA C 27 64.557 64.557 64.618 -0.061 18080 2626 1 14 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.060 -2.224 18080 2627 1 14 . 1 1 27 27 VAL H H 27 8.280 8.280 8.083 0.197 18080 2628 1 14 . 1 1 28 28 VAL N N 28 122.275 122.275 120.952 1.323 18080 2629 1 14 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.650 -0.087 18080 2630 1 14 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.439 -1.159 18080 2631 1 14 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.709 -2.870 18080 2632 1 14 . 1 1 28 28 VAL H H 28 8.577 8.577 7.802 0.775 18080 2633 1 14 . 1 1 29 29 ILE N N 29 118.627 118.627 119.295 -0.668 18080 2634 1 14 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.675 -0.014 18080 2635 1 14 . 1 1 29 29 ILE CA C 29 63.131 63.131 63.794 -0.663 18080 2636 1 14 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.361 -1.591 18080 2637 1 14 . 1 1 29 29 ILE H H 29 8.527 8.527 8.237 0.290 18080 2638 1 14 . 1 1 30 30 ALA N N 30 120.541 120.541 121.715 -1.174 18080 2639 1 14 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.925 0.048 18080 2640 1 14 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.653 -2.271 18080 2641 1 14 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.207 -2.653 18080 2642 1 14 . 1 1 30 30 ALA H H 30 8.645 8.645 8.041 0.604 18080 2643 1 14 . 1 1 31 31 THR N N 31 113.932 113.932 113.309 0.623 18080 2644 1 14 . 1 1 31 31 THR HA H 31 3.775 3.775 3.843 -0.068 18080 2645 1 14 . 1 1 31 31 THR CA C 31 66.027 66.027 66.224 -0.197 18080 2646 1 14 . 1 1 31 31 THR CB C 31 65.255 65.255 68.644 -3.389 18080 2647 1 14 . 1 1 31 31 THR H H 31 8.238 8.238 8.254 -0.016 18080 2648 1 14 . 1 1 32 32 VAL N N 32 120.206 120.206 122.453 -2.247 18080 2649 1 14 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.604 0.005 18080 2650 1 14 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.800 -2.131 18080 2651 1 14 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.092 -2.197 18080 2652 1 14 . 1 1 32 32 VAL H H 32 8.324 8.324 7.972 0.352 18080 2653 1 14 . 1 1 33 33 ILE N N 33 121.976 121.976 120.366 1.610 18080 2654 1 14 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.835 -0.178 18080 2655 1 14 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.973 -0.132 18080 2656 1 14 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.575 -1.660 18080 2657 1 14 . 1 1 33 33 ILE H H 33 8.520 8.520 8.070 0.450 18080 2658 1 14 . 1 1 34 34 VAL N N 34 119.099 119.099 120.433 -1.334 18080 2659 1 14 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.612 0.026 18080 2660 1 14 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.000 -1.322 18080 2661 1 14 . 1 1 34 34 VAL CB C 34 28.816 28.816 30.952 -2.136 18080 2662 1 14 . 1 1 34 34 VAL H H 34 8.539 8.539 8.376 0.163 18080 2663 1 14 . 1 1 35 35 ILE N N 35 117.727 117.727 119.665 -1.938 18080 2664 1 14 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.611 0.054 18080 2665 1 14 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.846 -2.510 18080 2666 1 14 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.591 -2.531 18080 2667 1 14 . 1 1 35 35 ILE H H 35 8.690 8.690 8.845 -0.155 18080 2668 1 14 . 1 1 36 36 THR N N 36 116.743 116.743 115.659 1.084 18080 2669 1 14 . 1 1 36 36 THR HA H 36 3.776 3.776 3.971 -0.195 18080 2670 1 14 . 1 1 36 36 THR CA C 36 66.196 66.196 65.873 0.323 18080 2671 1 14 . 1 1 36 36 THR CB C 36 65.191 65.191 68.602 -3.411 18080 2672 1 14 . 1 1 36 36 THR H H 36 8.267 8.267 8.212 0.055 18080 2673 1 14 . 1 1 37 37 LEU N N 37 120.103 120.103 122.821 -2.718 18080 2674 1 14 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.029 0.093 18080 2675 1 14 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.927 -1.858 18080 2676 1 14 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.637 -1.962 18080 2677 1 14 . 1 1 37 37 LEU H H 37 8.439 8.439 8.312 0.127 18080 2678 1 14 . 1 1 38 38 VAL N N 38 117.700 117.700 118.179 -0.479 18080 2679 1 14 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.627 0.095 18080 2680 1 14 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.567 -2.300 18080 2681 1 14 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.677 -2.735 18080 2682 1 14 . 1 1 38 38 VAL H H 38 8.470 8.470 8.064 0.406 18080 2683 1 14 . 1 1 39 39 MET N N 39 117.431 117.431 118.488 -1.057 18080 2684 1 14 . 1 1 39 39 MET HA H 39 4.351 4.351 4.431 -0.080 18080 2685 1 14 . 1 1 39 39 MET CA C 39 55.609 55.609 58.034 -2.425 18080 2686 1 14 . 1 1 39 39 MET CB C 39 29.560 29.560 32.424 -2.864 18080 2687 1 14 . 1 1 39 39 MET H H 39 8.513 8.513 8.113 0.400 18080 2688 1 14 . 1 1 40 40 LEU N N 40 117.760 117.760 119.704 -1.944 18080 2689 1 14 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.009 0.320 18080 2690 1 14 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.586 -3.277 18080 2691 1 14 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.455 -1.760 18080 2692 1 14 . 1 1 40 40 LEU H H 40 8.399 8.399 8.324 0.075 18080 2693 1 14 . 1 1 41 41 LYS N N 41 117.042 117.042 117.081 -0.039 18080 2694 1 14 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.132 0.211 18080 2695 1 14 . 1 1 41 41 LYS CA C 41 54.375 54.375 58.351 -3.976 18080 2696 1 14 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.857 -2.708 18080 2697 1 14 . 1 1 41 41 LYS H H 41 7.928 7.928 7.619 0.309 18080 2698 1 14 . 1 1 42 42 LYS N N 42 119.285 119.285 120.409 -1.124 18080 2699 1 14 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.572 -0.161 18080 2700 1 14 . 1 1 42 42 LYS CA C 42 53.997 53.997 55.635 -1.638 18080 2701 1 14 . 1 1 42 42 LYS CB C 42 30.417 30.417 33.098 -2.681 18080 2702 1 14 . 1 1 42 42 LYS H H 42 8.056 8.056 7.684 0.372 18080 2703 1 15 . 1 1 2 2 SER N N 2 116.055 116.055 116.218 -0.163 18080 2704 1 15 . 1 1 2 2 SER HA H 2 4.722 4.722 4.633 0.089 18080 2705 1 15 . 1 1 2 2 SER CA C 2 56.168 56.168 58.840 -2.672 18080 2706 1 15 . 1 1 2 2 SER H H 2 8.902 8.902 8.694 0.208 18080 2707 1 15 . 1 1 3 3 GLN N N 3 123.740 123.740 120.516 3.224 18080 2708 1 15 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.417 -0.088 18080 2709 1 15 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.725 -1.051 18080 2710 1 15 . 1 1 3 3 GLN CB C 3 26.279 26.279 28.798 -2.519 18080 2711 1 15 . 1 1 3 3 GLN H H 3 8.817 8.817 8.525 0.292 18080 2712 1 15 . 1 1 4 4 LYS N N 4 120.182 120.182 119.161 1.021 18080 2713 1 15 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.398 -0.112 18080 2714 1 15 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.130 -1.474 18080 2715 1 15 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.524 -2.097 18080 2716 1 15 . 1 1 4 4 LYS H H 4 8.442 8.442 8.263 0.179 18080 2717 1 15 . 1 1 5 5 LEU N N 5 119.225 119.225 121.139 -1.914 18080 2718 1 15 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.453 -0.120 18080 2719 1 15 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.371 -2.892 18080 2720 1 15 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.852 -2.395 18080 2721 1 15 . 1 1 5 5 LEU H H 5 8.181 8.181 7.987 0.194 18080 2722 1 15 . 1 1 6 6 VAL N N 6 118.118 118.118 118.466 -0.348 18080 2723 1 15 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.770 0.089 18080 2724 1 15 . 1 1 6 6 VAL CA C 6 62.483 62.483 65.595 -3.112 18080 2725 1 15 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.007 -1.389 18080 2726 1 15 . 1 1 6 6 VAL H H 6 7.749 7.749 8.218 -0.469 18080 2727 1 15 . 1 1 7 7 PHE N N 7 119.494 119.494 120.567 -1.073 18080 2728 1 15 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.046 0.465 18080 2729 1 15 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.839 -4.823 18080 2730 1 15 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.933 -2.750 18080 2731 1 15 . 1 1 7 7 PHE H H 7 7.989 7.989 7.826 0.163 18080 2732 1 15 . 1 1 8 8 PHE N N 8 118.388 118.388 117.695 0.693 18080 2733 1 15 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.009 0.436 18080 2734 1 15 . 1 1 8 8 PHE CA C 8 57.437 57.437 62.075 -4.638 18080 2735 1 15 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.391 -1.757 18080 2736 1 15 . 1 1 8 8 PHE H H 8 8.031 8.031 7.730 0.301 18080 2737 1 15 . 1 1 9 9 ALA N N 9 120.899 120.899 122.106 -1.207 18080 2738 1 15 . 1 1 9 9 ALA HA H 9 4.066 4.066 4.018 0.048 18080 2739 1 15 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.459 -3.432 18080 2740 1 15 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.095 -1.905 18080 2741 1 15 . 1 1 9 9 ALA H H 9 8.246 8.246 8.602 -0.356 18080 2742 1 15 . 1 1 10 10 GLU N N 10 115.098 115.098 117.700 -2.602 18080 2743 1 15 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.254 -0.015 18080 2744 1 15 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.227 -3.195 18080 2745 1 15 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.385 -3.352 18080 2746 1 15 . 1 1 10 10 GLU H H 10 8.167 8.167 8.230 -0.063 18080 2747 1 15 . 1 1 11 11 ASP N N 11 118.059 118.059 118.743 -0.684 18080 2748 1 15 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.361 0.350 18080 2749 1 15 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.425 -4.392 18080 2750 1 15 . 1 1 11 11 ASP H H 11 8.174 8.174 7.783 0.391 18080 2751 1 15 . 1 1 12 12 VAL N N 12 116.474 116.474 118.950 -2.476 18080 2752 1 15 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.132 -0.073 18080 2753 1 15 . 1 1 12 12 VAL CA C 12 61.057 61.057 64.397 -3.340 18080 2754 1 15 . 1 1 12 12 VAL CB C 12 29.513 29.513 32.718 -3.205 18080 2755 1 15 . 1 1 12 12 VAL H H 12 7.846 7.846 7.947 -0.101 18080 2756 1 15 . 1 1 13 13 GLY N N 13 107.383 107.383 105.084 2.299 18080 2757 1 15 . 1 1 13 13 GLY CA C 13 43.545 43.545 44.136 -0.592 18080 2758 1 15 . 1 1 13 13 GLY H H 13 8.163 8.163 7.785 0.378 18080 2759 1 15 . 1 1 14 14 SER N N 14 113.723 113.723 112.397 1.326 18080 2760 1 15 . 1 1 14 14 SER HA H 14 4.567 4.567 4.070 0.497 18080 2761 1 15 . 1 1 14 14 SER CA C 14 56.065 56.065 58.778 -2.713 18080 2762 1 15 . 1 1 14 14 SER CB C 14 61.566 61.566 62.459 -0.893 18080 2763 1 15 . 1 1 14 14 SER H H 14 8.031 8.031 8.491 -0.460 18080 2764 1 15 . 1 1 15 15 ASN N N 15 120.384 120.384 117.287 3.097 18080 2765 1 15 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.807 0.082 18080 2766 1 15 . 1 1 15 15 ASN CA C 15 51.205 51.205 52.731 -1.526 18080 2767 1 15 . 1 1 15 15 ASN CB C 15 36.680 36.680 39.484 -2.804 18080 2768 1 15 . 1 1 15 15 ASN H H 15 8.334 8.334 8.112 0.222 18080 2769 1 15 . 1 1 16 16 LYS N N 16 121.348 121.348 123.563 -2.215 18080 2770 1 15 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.344 -0.185 18080 2771 1 15 . 1 1 16 16 LYS CA C 16 56.438 56.438 57.300 -0.862 18080 2772 1 15 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.320 -2.150 18080 2773 1 15 . 1 1 16 16 LYS H H 16 8.610 8.610 8.392 0.218 18080 2774 1 15 . 1 1 17 17 GLY N N 17 106.755 106.755 108.341 -1.586 18080 2775 1 15 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.789 -2.014 18080 2776 1 15 . 1 1 17 17 GLY H H 17 8.620 8.620 8.372 0.248 18080 2777 1 15 . 1 1 18 18 ALA N N 18 122.574 122.574 125.175 -2.601 18080 2778 1 15 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.047 0.153 18080 2779 1 15 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.721 -2.309 18080 2780 1 15 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.402 -2.190 18080 2781 1 15 . 1 1 18 18 ALA H H 18 8.099 8.099 8.358 -0.259 18080 2782 1 15 . 1 1 19 19 ILE N N 19 116.264 116.264 119.159 -2.895 18080 2783 1 15 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.544 0.354 18080 2784 1 15 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.250 -3.480 18080 2785 1 15 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.787 -2.653 18080 2786 1 15 . 1 1 19 19 ILE H H 19 7.899 7.899 7.521 0.378 18080 2787 1 15 . 1 1 20 20 ILE N N 20 119.344 119.344 119.591 -0.247 18080 2788 1 15 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.583 0.256 18080 2789 1 15 . 1 1 20 20 ILE CA C 20 62.615 62.615 65.974 -3.359 18080 2790 1 15 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.462 -2.490 18080 2791 1 15 . 1 1 20 20 ILE H H 20 8.210 8.210 7.327 0.883 18080 2792 1 15 . 1 1 21 21 GLY N N 21 106.546 106.546 107.543 -0.997 18080 2793 1 15 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.019 -1.720 18080 2794 1 15 . 1 1 21 21 GLY H H 21 8.531 8.531 8.261 0.270 18080 2795 1 15 . 1 1 22 22 LEU N N 22 120.869 120.869 123.554 -2.685 18080 2796 1 15 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.120 0.002 18080 2797 1 15 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.950 -2.056 18080 2798 1 15 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.484 -1.776 18080 2799 1 15 . 1 1 22 22 LEU H H 22 8.310 8.310 8.392 -0.082 18080 2800 1 15 . 1 1 23 23 MET N N 23 117.191 117.191 118.358 -1.167 18080 2801 1 15 . 1 1 23 23 MET HA H 23 4.167 4.167 4.132 0.035 18080 2802 1 15 . 1 1 23 23 MET CA C 23 56.961 56.961 58.636 -1.675 18080 2803 1 15 . 1 1 23 23 MET CB C 23 30.421 30.421 32.011 -1.590 18080 2804 1 15 . 1 1 23 23 MET H H 23 8.263 8.263 8.103 0.160 18080 2805 1 15 . 1 1 24 24 VAL N N 24 117.660 117.660 118.237 -0.577 18080 2806 1 15 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.614 -0.013 18080 2807 1 15 . 1 1 24 24 VAL CA C 24 64.681 64.681 67.079 -2.398 18080 2808 1 15 . 1 1 24 24 VAL CB C 24 28.867 28.867 31.219 -2.352 18080 2809 1 15 . 1 1 24 24 VAL H H 24 8.682 8.682 8.711 -0.029 18080 2810 1 15 . 1 1 25 25 GLY N N 25 106.038 106.038 107.214 -1.176 18080 2811 1 15 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.027 -1.964 18080 2812 1 15 . 1 1 25 25 GLY H H 25 8.774 8.774 8.152 0.622 18080 2813 1 15 . 1 1 26 26 GLY N N 26 108.191 108.191 110.376 -2.185 18080 2814 1 15 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.836 -1.868 18080 2815 1 15 . 1 1 26 26 GLY H H 26 8.806 8.806 8.038 0.768 18080 2816 1 15 . 1 1 27 27 VAL N N 27 120.729 120.729 122.396 -1.667 18080 2817 1 15 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.623 0.074 18080 2818 1 15 . 1 1 27 27 VAL CA C 27 64.557 64.557 66.699 -2.142 18080 2819 1 15 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.565 -2.729 18080 2820 1 15 . 1 1 27 27 VAL H H 27 8.280 8.280 8.117 0.163 18080 2821 1 15 . 1 1 28 28 VAL N N 28 122.275 122.275 120.465 1.810 18080 2822 1 15 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.621 -0.058 18080 2823 1 15 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.691 -1.411 18080 2824 1 15 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.123 -2.284 18080 2825 1 15 . 1 1 28 28 VAL H H 28 8.577 8.577 7.806 0.771 18080 2826 1 15 . 1 1 29 29 ILE N N 29 118.627 118.627 119.771 -1.144 18080 2827 1 15 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.675 -0.014 18080 2828 1 15 . 1 1 29 29 ILE CA C 29 63.131 63.131 64.185 -1.054 18080 2829 1 15 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.175 -1.406 18080 2830 1 15 . 1 1 29 29 ILE H H 29 8.527 8.527 8.338 0.189 18080 2831 1 15 . 1 1 30 30 ALA N N 30 120.541 120.541 121.960 -1.419 18080 2832 1 15 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.903 0.070 18080 2833 1 15 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.547 -2.165 18080 2834 1 15 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.085 -2.531 18080 2835 1 15 . 1 1 30 30 ALA H H 30 8.645 8.645 8.110 0.535 18080 2836 1 15 . 1 1 31 31 THR N N 31 113.932 113.932 116.259 -2.327 18080 2837 1 15 . 1 1 31 31 THR HA H 31 3.775 3.775 3.857 -0.082 18080 2838 1 15 . 1 1 31 31 THR CA C 31 66.027 66.027 67.442 -1.415 18080 2839 1 15 . 1 1 31 31 THR CB C 31 65.255 65.255 68.720 -3.465 18080 2840 1 15 . 1 1 31 31 THR H H 31 8.238 8.238 8.223 0.015 18080 2841 1 15 . 1 1 32 32 VAL N N 32 120.206 120.206 121.292 -1.086 18080 2842 1 15 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.644 -0.035 18080 2843 1 15 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.413 -1.744 18080 2844 1 15 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.031 -2.136 18080 2845 1 15 . 1 1 32 32 VAL H H 32 8.324 8.324 8.003 0.321 18080 2846 1 15 . 1 1 33 33 ILE N N 33 121.976 121.976 119.826 2.150 18080 2847 1 15 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.742 -0.085 18080 2848 1 15 . 1 1 33 33 ILE CA C 33 63.841 63.841 65.218 -1.377 18080 2849 1 15 . 1 1 33 33 ILE CB C 33 34.915 34.915 37.502 -2.587 18080 2850 1 15 . 1 1 33 33 ILE H H 33 8.520 8.520 8.104 0.416 18080 2851 1 15 . 1 1 34 34 VAL N N 34 119.099 119.099 120.309 -1.210 18080 2852 1 15 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.637 0.001 18080 2853 1 15 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.882 -1.204 18080 2854 1 15 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.087 -2.271 18080 2855 1 15 . 1 1 34 34 VAL H H 34 8.539 8.539 8.024 0.515 18080 2856 1 15 . 1 1 35 35 ILE N N 35 117.727 117.727 120.021 -2.294 18080 2857 1 15 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.618 0.048 18080 2858 1 15 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.683 -2.347 18080 2859 1 15 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.542 -2.482 18080 2860 1 15 . 1 1 35 35 ILE H H 35 8.690 8.690 8.632 0.058 18080 2861 1 15 . 1 1 36 36 THR N N 36 116.743 116.743 115.096 1.647 18080 2862 1 15 . 1 1 36 36 THR HA H 36 3.776 3.776 4.009 -0.233 18080 2863 1 15 . 1 1 36 36 THR CA C 36 66.196 66.196 65.735 0.461 18080 2864 1 15 . 1 1 36 36 THR CB C 36 65.191 65.191 68.550 -3.359 18080 2865 1 15 . 1 1 36 36 THR H H 36 8.267 8.267 8.211 0.056 18080 2866 1 15 . 1 1 37 37 LEU N N 37 120.103 120.103 123.196 -3.093 18080 2867 1 15 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.052 0.070 18080 2868 1 15 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.837 -1.768 18080 2869 1 15 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.597 -1.922 18080 2870 1 15 . 1 1 37 37 LEU H H 37 8.439 8.439 8.024 0.415 18080 2871 1 15 . 1 1 38 38 VAL N N 38 117.700 117.700 119.590 -1.890 18080 2872 1 15 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.577 0.145 18080 2873 1 15 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.771 -2.504 18080 2874 1 15 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.839 -2.897 18080 2875 1 15 . 1 1 38 38 VAL H H 38 8.470 8.470 8.283 0.187 18080 2876 1 15 . 1 1 39 39 MET N N 39 117.431 117.431 118.234 -0.803 18080 2877 1 15 . 1 1 39 39 MET HA H 39 4.351 4.351 4.184 0.167 18080 2878 1 15 . 1 1 39 39 MET CA C 39 55.609 55.609 58.337 -2.728 18080 2879 1 15 . 1 1 39 39 MET CB C 39 29.560 29.560 32.756 -3.196 18080 2880 1 15 . 1 1 39 39 MET H H 39 8.513 8.513 8.188 0.325 18080 2881 1 15 . 1 1 40 40 LEU N N 40 117.760 117.760 120.100 -2.340 18080 2882 1 15 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.234 0.095 18080 2883 1 15 . 1 1 40 40 LEU CA C 40 54.309 54.309 56.062 -1.753 18080 2884 1 15 . 1 1 40 40 LEU CB C 40 39.694 39.694 42.894 -3.200 18080 2885 1 15 . 1 1 40 40 LEU H H 40 8.399 8.399 7.710 0.689 18080 2886 1 15 . 1 1 41 41 LYS N N 41 117.042 117.042 117.864 -0.822 18080 2887 1 15 . 1 1 41 41 LYS HA H 41 4.343 4.343 3.972 0.371 18080 2888 1 15 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.098 -2.723 18080 2889 1 15 . 1 1 41 41 LYS CB C 41 30.149 30.149 31.083 -0.934 18080 2890 1 15 . 1 1 41 41 LYS H H 41 7.928 7.928 8.093 -0.165 18080 2891 1 15 . 1 1 42 42 LYS N N 42 119.285 119.285 125.254 -5.969 18080 2892 1 15 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.241 0.170 18080 2893 1 15 . 1 1 42 42 LYS CA C 42 53.997 53.997 57.183 -3.186 18080 2894 1 15 . 1 1 42 42 LYS CB C 42 30.417 30.417 33.135 -2.718 18080 2895 1 15 . 1 1 42 42 LYS H H 42 8.056 8.056 8.561 -0.505 18080 2896 1 16 . 1 1 2 2 SER N N 2 116.055 116.055 114.739 1.316 18080 2897 1 16 . 1 1 2 2 SER HA H 2 4.722 4.722 4.670 0.052 18080 2898 1 16 . 1 1 2 2 SER CA C 2 56.168 56.168 57.755 -1.587 18080 2899 1 16 . 1 1 2 2 SER H H 2 8.902 8.902 8.272 0.630 18080 2900 1 16 . 1 1 3 3 GLN N N 3 123.740 123.740 119.692 4.048 18080 2901 1 16 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.171 0.158 18080 2902 1 16 . 1 1 3 3 GLN CA C 3 54.674 54.674 56.734 -2.060 18080 2903 1 16 . 1 1 3 3 GLN CB C 3 26.279 26.279 27.654 -1.375 18080 2904 1 16 . 1 1 3 3 GLN H H 3 8.817 8.817 8.662 0.155 18080 2905 1 16 . 1 1 4 4 LYS N N 4 120.182 120.182 118.824 1.358 18080 2906 1 16 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.365 -0.079 18080 2907 1 16 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.596 -1.940 18080 2908 1 16 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.999 -2.572 18080 2909 1 16 . 1 1 4 4 LYS H H 4 8.442 8.442 8.328 0.114 18080 2910 1 16 . 1 1 5 5 LEU N N 5 119.225 119.225 121.556 -2.331 18080 2911 1 16 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.408 -0.075 18080 2912 1 16 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.359 -2.880 18080 2913 1 16 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.845 -2.388 18080 2914 1 16 . 1 1 5 5 LEU H H 5 8.181 8.181 7.875 0.306 18080 2915 1 16 . 1 1 6 6 VAL N N 6 118.118 118.118 119.123 -1.005 18080 2916 1 16 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.712 0.147 18080 2917 1 16 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.485 -4.002 18080 2918 1 16 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.417 -1.799 18080 2919 1 16 . 1 1 6 6 VAL H H 6 7.749 7.749 7.927 -0.178 18080 2920 1 16 . 1 1 7 7 PHE N N 7 119.494 119.494 119.881 -0.387 18080 2921 1 16 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.154 0.357 18080 2922 1 16 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.305 -4.289 18080 2923 1 16 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.739 -2.556 18080 2924 1 16 . 1 1 7 7 PHE H H 7 7.989 7.989 8.072 -0.083 18080 2925 1 16 . 1 1 8 8 PHE N N 8 118.388 118.388 119.906 -1.518 18080 2926 1 16 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.374 0.071 18080 2927 1 16 . 1 1 8 8 PHE CA C 8 57.437 57.437 60.725 -3.288 18080 2928 1 16 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.929 -2.295 18080 2929 1 16 . 1 1 8 8 PHE H H 8 8.031 8.031 7.739 0.292 18080 2930 1 16 . 1 1 9 9 ALA N N 9 120.899 120.899 120.936 -0.037 18080 2931 1 16 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.916 0.150 18080 2932 1 16 . 1 1 9 9 ALA CA C 9 52.027 52.027 54.786 -2.759 18080 2933 1 16 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.014 -1.824 18080 2934 1 16 . 1 1 9 9 ALA H H 9 8.246 8.246 8.356 -0.110 18080 2935 1 16 . 1 1 10 10 GLU N N 10 115.098 115.098 118.043 -2.945 18080 2936 1 16 . 1 1 10 10 GLU HA H 10 4.239 4.239 3.956 0.283 18080 2937 1 16 . 1 1 10 10 GLU CA C 10 55.032 55.032 59.074 -4.042 18080 2938 1 16 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.703 -3.670 18080 2939 1 16 . 1 1 10 10 GLU H H 10 8.167 8.167 7.877 0.290 18080 2940 1 16 . 1 1 11 11 ASP N N 11 118.059 118.059 117.139 0.920 18080 2941 1 16 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.234 0.477 18080 2942 1 16 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.303 -4.270 18080 2943 1 16 . 1 1 11 11 ASP H H 11 8.174 8.174 7.750 0.424 18080 2944 1 16 . 1 1 12 12 VAL N N 12 116.474 116.474 117.949 -1.475 18080 2945 1 16 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.737 0.322 18080 2946 1 16 . 1 1 12 12 VAL CA C 12 61.057 61.057 63.448 -2.391 18080 2947 1 16 . 1 1 12 12 VAL CB C 12 29.513 29.513 31.512 -1.999 18080 2948 1 16 . 1 1 12 12 VAL H H 12 7.846 7.846 7.561 0.285 18080 2949 1 16 . 1 1 13 13 GLY N N 13 107.383 107.383 109.619 -2.236 18080 2950 1 16 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.228 -1.683 18080 2951 1 16 . 1 1 13 13 GLY H H 13 8.163 8.163 7.436 0.727 18080 2952 1 16 . 1 1 14 14 SER N N 14 113.723 113.723 114.360 -0.637 18080 2953 1 16 . 1 1 14 14 SER HA H 14 4.567 4.567 4.491 0.076 18080 2954 1 16 . 1 1 14 14 SER CA C 14 56.065 56.065 57.918 -1.853 18080 2955 1 16 . 1 1 14 14 SER CB C 14 61.566 61.566 63.214 -1.648 18080 2956 1 16 . 1 1 14 14 SER H H 14 8.031 8.031 8.222 -0.191 18080 2957 1 16 . 1 1 15 15 ASN N N 15 120.384 120.384 123.301 -2.917 18080 2958 1 16 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.726 0.163 18080 2959 1 16 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.706 -2.501 18080 2960 1 16 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.922 -2.241 18080 2961 1 16 . 1 1 15 15 ASN H H 15 8.334 8.334 8.701 -0.367 18080 2962 1 16 . 1 1 16 16 LYS N N 16 121.348 121.348 119.592 1.756 18080 2963 1 16 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.419 -0.260 18080 2964 1 16 . 1 1 16 16 LYS CA C 16 56.438 56.438 56.965 -0.527 18080 2965 1 16 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.864 -2.694 18080 2966 1 16 . 1 1 16 16 LYS H H 16 8.610 8.610 7.843 0.767 18080 2967 1 16 . 1 1 17 17 GLY N N 17 106.755 106.755 109.037 -2.282 18080 2968 1 16 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.033 -1.258 18080 2969 1 16 . 1 1 17 17 GLY H H 17 8.620 8.620 8.644 -0.024 18080 2970 1 16 . 1 1 18 18 ALA N N 18 122.574 122.574 124.827 -2.253 18080 2971 1 16 . 1 1 18 18 ALA HA H 18 4.200 4.200 3.963 0.237 18080 2972 1 16 . 1 1 18 18 ALA CA C 18 52.412 52.412 55.422 -3.010 18080 2973 1 16 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.232 -2.020 18080 2974 1 16 . 1 1 18 18 ALA H H 18 8.099 8.099 7.960 0.139 18080 2975 1 16 . 1 1 19 19 ILE N N 19 116.264 116.264 117.925 -1.661 18080 2976 1 16 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.706 0.192 18080 2977 1 16 . 1 1 19 19 ILE CA C 19 61.770 61.770 63.732 -1.962 18080 2978 1 16 . 1 1 19 19 ILE CB C 19 35.134 35.134 36.826 -1.692 18080 2979 1 16 . 1 1 19 19 ILE H H 19 7.899 7.899 7.889 0.010 18080 2980 1 16 . 1 1 20 20 ILE N N 20 119.344 119.344 119.686 -0.342 18080 2981 1 16 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.603 0.236 18080 2982 1 16 . 1 1 20 20 ILE CA C 20 62.615 62.615 65.945 -3.330 18080 2983 1 16 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.490 -2.518 18080 2984 1 16 . 1 1 20 20 ILE H H 20 8.210 8.210 7.472 0.738 18080 2985 1 16 . 1 1 21 21 GLY N N 21 106.546 106.546 107.365 -0.819 18080 2986 1 16 . 1 1 21 21 GLY CA C 21 45.299 45.299 46.942 -1.643 18080 2987 1 16 . 1 1 21 21 GLY H H 21 8.531 8.531 8.267 0.264 18080 2988 1 16 . 1 1 22 22 LEU N N 22 120.869 120.869 124.167 -3.298 18080 2989 1 16 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.041 0.081 18080 2990 1 16 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.971 -2.077 18080 2991 1 16 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.510 -1.802 18080 2992 1 16 . 1 1 22 22 LEU H H 22 8.310 8.310 8.340 -0.030 18080 2993 1 16 . 1 1 23 23 MET N N 23 117.191 117.191 118.498 -1.307 18080 2994 1 16 . 1 1 23 23 MET HA H 23 4.167 4.167 4.144 0.023 18080 2995 1 16 . 1 1 23 23 MET CA C 23 56.961 56.961 58.353 -1.392 18080 2996 1 16 . 1 1 23 23 MET CB C 23 30.421 30.421 31.871 -1.450 18080 2997 1 16 . 1 1 23 23 MET H H 23 8.263 8.263 8.107 0.156 18080 2998 1 16 . 1 1 24 24 VAL N N 24 117.660 117.660 117.848 -0.188 18080 2999 1 16 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.670 -0.069 18080 3000 1 16 . 1 1 24 24 VAL CA C 24 64.681 64.681 67.210 -2.529 18080 3001 1 16 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.743 -1.876 18080 3002 1 16 . 1 1 24 24 VAL H H 24 8.682 8.682 8.635 0.047 18080 3003 1 16 . 1 1 25 25 GLY N N 25 106.038 106.038 107.491 -1.453 18080 3004 1 16 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.076 -2.013 18080 3005 1 16 . 1 1 25 25 GLY H H 25 8.774 8.774 8.239 0.535 18080 3006 1 16 . 1 1 26 26 GLY N N 26 108.191 108.191 110.352 -2.161 18080 3007 1 16 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.811 -1.843 18080 3008 1 16 . 1 1 26 26 GLY H H 26 8.806 8.806 8.031 0.775 18080 3009 1 16 . 1 1 27 27 VAL N N 27 120.729 120.729 122.420 -1.691 18080 3010 1 16 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.621 0.076 18080 3011 1 16 . 1 1 27 27 VAL CA C 27 64.557 64.557 66.706 -2.149 18080 3012 1 16 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.559 -2.723 18080 3013 1 16 . 1 1 27 27 VAL H H 27 8.280 8.280 8.116 0.164 18080 3014 1 16 . 1 1 28 28 VAL N N 28 122.275 122.275 120.434 1.841 18080 3015 1 16 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.626 -0.063 18080 3016 1 16 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.670 -1.390 18080 3017 1 16 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.084 -2.245 18080 3018 1 16 . 1 1 28 28 VAL H H 28 8.577 8.577 7.816 0.761 18080 3019 1 16 . 1 1 29 29 ILE N N 29 118.627 118.627 119.756 -1.129 18080 3020 1 16 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.682 -0.021 18080 3021 1 16 . 1 1 29 29 ILE CA C 29 63.131 63.131 64.175 -1.044 18080 3022 1 16 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.180 -1.411 18080 3023 1 16 . 1 1 29 29 ILE H H 29 8.527 8.527 8.251 0.276 18080 3024 1 16 . 1 1 30 30 ALA N N 30 120.541 120.541 121.948 -1.407 18080 3025 1 16 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.904 0.069 18080 3026 1 16 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.535 -2.153 18080 3027 1 16 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.088 -2.534 18080 3028 1 16 . 1 1 30 30 ALA H H 30 8.645 8.645 8.118 0.527 18080 3029 1 16 . 1 1 31 31 THR N N 31 113.932 113.932 116.326 -2.394 18080 3030 1 16 . 1 1 31 31 THR HA H 31 3.775 3.775 3.838 -0.063 18080 3031 1 16 . 1 1 31 31 THR CA C 31 66.027 66.027 67.686 -1.659 18080 3032 1 16 . 1 1 31 31 THR CB C 31 65.255 65.255 68.726 -3.471 18080 3033 1 16 . 1 1 31 31 THR H H 31 8.238 8.238 8.176 0.062 18080 3034 1 16 . 1 1 32 32 VAL N N 32 120.206 120.206 121.749 -1.543 18080 3035 1 16 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.534 0.075 18080 3036 1 16 . 1 1 32 32 VAL CA C 32 64.669 64.669 67.103 -2.434 18080 3037 1 16 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.423 -2.528 18080 3038 1 16 . 1 1 32 32 VAL H H 32 8.324 8.324 8.020 0.304 18080 3039 1 16 . 1 1 33 33 ILE N N 33 121.976 121.976 119.746 2.230 18080 3040 1 16 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.873 -0.216 18080 3041 1 16 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.457 0.384 18080 3042 1 16 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.363 -1.448 18080 3043 1 16 . 1 1 33 33 ILE H H 33 8.520 8.520 8.075 0.445 18080 3044 1 16 . 1 1 34 34 VAL N N 34 119.099 119.099 120.877 -1.778 18080 3045 1 16 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.694 -0.056 18080 3046 1 16 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.144 -1.466 18080 3047 1 16 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.346 -2.530 18080 3048 1 16 . 1 1 34 34 VAL H H 34 8.539 8.539 8.098 0.441 18080 3049 1 16 . 1 1 35 35 ILE N N 35 117.727 117.727 119.911 -2.184 18080 3050 1 16 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.716 -0.050 18080 3051 1 16 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.540 -1.204 18080 3052 1 16 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.301 -1.241 18080 3053 1 16 . 1 1 35 35 ILE H H 35 8.690 8.690 8.670 0.020 18080 3054 1 16 . 1 1 36 36 THR N N 36 116.743 116.743 115.145 1.598 18080 3055 1 16 . 1 1 36 36 THR HA H 36 3.776 3.776 4.019 -0.243 18080 3056 1 16 . 1 1 36 36 THR CA C 36 66.196 66.196 65.780 0.416 18080 3057 1 16 . 1 1 36 36 THR CB C 36 65.191 65.191 68.616 -3.425 18080 3058 1 16 . 1 1 36 36 THR H H 36 8.267 8.267 8.251 0.016 18080 3059 1 16 . 1 1 37 37 LEU N N 37 120.103 120.103 123.205 -3.102 18080 3060 1 16 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.055 0.067 18080 3061 1 16 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.824 -1.755 18080 3062 1 16 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.621 -1.946 18080 3063 1 16 . 1 1 37 37 LEU H H 37 8.439 8.439 7.992 0.447 18080 3064 1 16 . 1 1 38 38 VAL N N 38 117.700 117.700 119.089 -1.389 18080 3065 1 16 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.484 0.238 18080 3066 1 16 . 1 1 38 38 VAL CA C 38 64.267 64.267 67.445 -3.178 18080 3067 1 16 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.857 -2.915 18080 3068 1 16 . 1 1 38 38 VAL H H 38 8.470 8.470 8.399 0.071 18080 3069 1 16 . 1 1 39 39 MET N N 39 117.431 117.431 117.277 0.154 18080 3070 1 16 . 1 1 39 39 MET HA H 39 4.351 4.351 4.113 0.238 18080 3071 1 16 . 1 1 39 39 MET CA C 39 55.609 55.609 58.612 -3.003 18080 3072 1 16 . 1 1 39 39 MET CB C 39 29.560 29.560 32.620 -3.060 18080 3073 1 16 . 1 1 39 39 MET H H 39 8.513 8.513 8.021 0.492 18080 3074 1 16 . 1 1 40 40 LEU N N 40 117.760 117.760 120.519 -2.759 18080 3075 1 16 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.140 0.189 18080 3076 1 16 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.617 -3.308 18080 3077 1 16 . 1 1 40 40 LEU CB C 40 39.694 39.694 42.548 -2.854 18080 3078 1 16 . 1 1 40 40 LEU H H 40 8.399 8.399 7.999 0.400 18080 3079 1 16 . 1 1 41 41 LYS N N 41 117.042 117.042 117.260 -0.218 18080 3080 1 16 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.181 0.162 18080 3081 1 16 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.183 -2.808 18080 3082 1 16 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.651 -2.502 18080 3083 1 16 . 1 1 41 41 LYS H H 41 7.928 7.928 7.642 0.286 18080 3084 1 16 . 1 1 42 42 LYS N N 42 119.285 119.285 121.787 -2.502 18080 3085 1 16 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.114 0.297 18080 3086 1 16 . 1 1 42 42 LYS CA C 42 53.997 53.997 56.996 -2.999 18080 3087 1 16 . 1 1 42 42 LYS CB C 42 30.417 30.417 31.714 -1.297 18080 3088 1 16 . 1 1 42 42 LYS H H 42 8.056 8.056 7.856 0.200 18080 3089 1 17 . 1 1 2 2 SER N N 2 116.055 116.055 116.173 -0.118 18080 3090 1 17 . 1 1 2 2 SER HA H 2 4.722 4.722 4.484 0.238 18080 3091 1 17 . 1 1 2 2 SER CA C 2 56.168 56.168 58.090 -1.922 18080 3092 1 17 . 1 1 2 2 SER H H 2 8.902 8.902 8.193 0.709 18080 3093 1 17 . 1 1 3 3 GLN N N 3 123.740 123.740 122.214 1.526 18080 3094 1 17 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.419 -0.090 18080 3095 1 17 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.733 -1.059 18080 3096 1 17 . 1 1 3 3 GLN CB C 3 26.279 26.279 28.133 -1.854 18080 3097 1 17 . 1 1 3 3 GLN H H 3 8.817 8.817 8.495 0.322 18080 3098 1 17 . 1 1 4 4 LYS N N 4 120.182 120.182 120.119 0.063 18080 3099 1 17 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.411 -0.125 18080 3100 1 17 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.048 -1.392 18080 3101 1 17 . 1 1 4 4 LYS CB C 4 30.427 30.427 33.275 -2.848 18080 3102 1 17 . 1 1 4 4 LYS H H 4 8.442 8.442 8.037 0.405 18080 3103 1 17 . 1 1 5 5 LEU N N 5 119.225 119.225 121.863 -2.638 18080 3104 1 17 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.271 0.062 18080 3105 1 17 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.661 -3.182 18080 3106 1 17 . 1 1 5 5 LEU CB C 5 39.457 39.457 42.223 -2.766 18080 3107 1 17 . 1 1 5 5 LEU H H 5 8.181 8.181 8.147 0.034 18080 3108 1 17 . 1 1 6 6 VAL N N 6 118.118 118.118 119.713 -1.595 18080 3109 1 17 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.696 0.163 18080 3110 1 17 . 1 1 6 6 VAL CA C 6 62.483 62.483 65.995 -3.511 18080 3111 1 17 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.020 -1.402 18080 3112 1 17 . 1 1 6 6 VAL H H 6 7.749 7.749 8.203 -0.454 18080 3113 1 17 . 1 1 7 7 PHE N N 7 119.494 119.494 120.404 -0.910 18080 3114 1 17 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.138 0.373 18080 3115 1 17 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.948 -4.932 18080 3116 1 17 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.892 -2.709 18080 3117 1 17 . 1 1 7 7 PHE H H 7 7.989 7.989 7.991 -0.002 18080 3118 1 17 . 1 1 8 8 PHE N N 8 118.388 118.388 120.017 -1.629 18080 3119 1 17 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.094 0.351 18080 3120 1 17 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.656 -4.219 18080 3121 1 17 . 1 1 8 8 PHE CB C 8 36.634 36.634 39.047 -2.413 18080 3122 1 17 . 1 1 8 8 PHE H H 8 8.031 8.031 7.863 0.168 18080 3123 1 17 . 1 1 9 9 ALA N N 9 120.899 120.899 120.872 0.027 18080 3124 1 17 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.913 0.153 18080 3125 1 17 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.319 -3.292 18080 3126 1 17 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.184 -1.994 18080 3127 1 17 . 1 1 9 9 ALA H H 9 8.246 8.246 8.531 -0.285 18080 3128 1 17 . 1 1 10 10 GLU N N 10 115.098 115.098 118.345 -3.247 18080 3129 1 17 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.034 0.205 18080 3130 1 17 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.438 -3.406 18080 3131 1 17 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.233 -3.200 18080 3132 1 17 . 1 1 10 10 GLU H H 10 8.167 8.167 8.038 0.129 18080 3133 1 17 . 1 1 11 11 ASP N N 11 118.059 118.059 120.428 -2.369 18080 3134 1 17 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.291 0.420 18080 3135 1 17 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.639 -4.606 18080 3136 1 17 . 1 1 11 11 ASP H H 11 8.174 8.174 8.178 -0.004 18080 3137 1 17 . 1 1 12 12 VAL N N 12 116.474 116.474 118.226 -1.752 18080 3138 1 17 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.166 -0.107 18080 3139 1 17 . 1 1 12 12 VAL CA C 12 61.057 61.057 61.148 -0.091 18080 3140 1 17 . 1 1 12 12 VAL CB C 12 29.513 29.513 31.535 -2.022 18080 3141 1 17 . 1 1 12 12 VAL H H 12 7.846 7.846 7.423 0.423 18080 3142 1 17 . 1 1 13 13 GLY N N 13 107.383 107.383 108.799 -1.416 18080 3143 1 17 . 1 1 13 13 GLY CA C 13 43.545 43.545 44.154 -0.609 18080 3144 1 17 . 1 1 13 13 GLY H H 13 8.163 8.163 7.324 0.839 18080 3145 1 17 . 1 1 14 14 SER N N 14 113.723 113.723 116.710 -2.987 18080 3146 1 17 . 1 1 14 14 SER HA H 14 4.567 4.567 4.553 0.014 18080 3147 1 17 . 1 1 14 14 SER CA C 14 56.065 56.065 57.938 -1.873 18080 3148 1 17 . 1 1 14 14 SER CB C 14 61.566 61.566 62.518 -0.952 18080 3149 1 17 . 1 1 14 14 SER H H 14 8.031 8.031 8.436 -0.405 18080 3150 1 17 . 1 1 15 15 ASN N N 15 120.384 120.384 122.568 -2.184 18080 3151 1 17 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.766 0.123 18080 3152 1 17 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.874 -2.669 18080 3153 1 17 . 1 1 15 15 ASN CB C 15 36.680 36.680 39.135 -2.455 18080 3154 1 17 . 1 1 15 15 ASN H H 15 8.334 8.334 7.957 0.377 18080 3155 1 17 . 1 1 16 16 LYS N N 16 121.348 121.348 126.280 -4.932 18080 3156 1 17 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.021 0.138 18080 3157 1 17 . 1 1 16 16 LYS CA C 16 56.438 56.438 58.711 -2.273 18080 3158 1 17 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.632 -2.462 18080 3159 1 17 . 1 1 16 16 LYS H H 16 8.610 8.610 8.586 0.024 18080 3160 1 17 . 1 1 17 17 GLY N N 17 106.755 106.755 106.112 0.643 18080 3161 1 17 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.996 -2.221 18080 3162 1 17 . 1 1 17 17 GLY H H 17 8.620 8.620 8.128 0.492 18080 3163 1 17 . 1 1 18 18 ALA N N 18 122.574 122.574 124.694 -2.120 18080 3164 1 17 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.033 0.167 18080 3165 1 17 . 1 1 18 18 ALA CA C 18 52.412 52.412 55.083 -2.671 18080 3166 1 17 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.326 -2.114 18080 3167 1 17 . 1 1 18 18 ALA H H 18 8.099 8.099 7.614 0.485 18080 3168 1 17 . 1 1 19 19 ILE N N 19 116.264 116.264 119.063 -2.799 18080 3169 1 17 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.654 0.244 18080 3170 1 17 . 1 1 19 19 ILE CA C 19 61.770 61.770 63.639 -1.869 18080 3171 1 17 . 1 1 19 19 ILE CB C 19 35.134 35.134 36.738 -1.604 18080 3172 1 17 . 1 1 19 19 ILE H H 19 7.899 7.899 7.510 0.389 18080 3173 1 17 . 1 1 20 20 ILE N N 20 119.344 119.344 119.764 -0.420 18080 3174 1 17 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.629 0.210 18080 3175 1 17 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.028 -3.413 18080 3176 1 17 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.270 -2.298 18080 3177 1 17 . 1 1 20 20 ILE H H 20 8.210 8.210 7.484 0.726 18080 3178 1 17 . 1 1 21 21 GLY N N 21 106.546 106.546 107.362 -0.816 18080 3179 1 17 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.022 -1.722 18080 3180 1 17 . 1 1 21 21 GLY H H 21 8.531 8.531 8.170 0.361 18080 3181 1 17 . 1 1 22 22 LEU N N 22 120.869 120.869 122.991 -2.122 18080 3182 1 17 . 1 1 22 22 LEU HA H 22 4.122 4.122 3.982 0.140 18080 3183 1 17 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.918 -2.024 18080 3184 1 17 . 1 1 22 22 LEU CB C 22 39.708 39.708 42.150 -2.442 18080 3185 1 17 . 1 1 22 22 LEU H H 22 8.310 8.310 8.347 -0.037 18080 3186 1 17 . 1 1 23 23 MET N N 23 117.191 117.191 118.034 -0.843 18080 3187 1 17 . 1 1 23 23 MET HA H 23 4.167 4.167 4.137 0.030 18080 3188 1 17 . 1 1 23 23 MET CA C 23 56.961 56.961 58.364 -1.403 18080 3189 1 17 . 1 1 23 23 MET CB C 23 30.421 30.421 31.952 -1.531 18080 3190 1 17 . 1 1 23 23 MET H H 23 8.263 8.263 8.108 0.155 18080 3191 1 17 . 1 1 24 24 VAL N N 24 117.660 117.660 118.313 -0.653 18080 3192 1 17 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.618 -0.017 18080 3193 1 17 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.506 -1.825 18080 3194 1 17 . 1 1 24 24 VAL CB C 24 28.867 28.867 31.160 -2.293 18080 3195 1 17 . 1 1 24 24 VAL H H 24 8.682 8.682 8.790 -0.108 18080 3196 1 17 . 1 1 25 25 GLY N N 25 106.038 106.038 107.276 -1.238 18080 3197 1 17 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.051 -1.988 18080 3198 1 17 . 1 1 25 25 GLY H H 25 8.774 8.774 8.157 0.617 18080 3199 1 17 . 1 1 26 26 GLY N N 26 108.191 108.191 110.154 -1.963 18080 3200 1 17 . 1 1 26 26 GLY CA C 26 44.968 44.968 47.032 -2.064 18080 3201 1 17 . 1 1 26 26 GLY H H 26 8.806 8.806 8.102 0.704 18080 3202 1 17 . 1 1 27 27 VAL N N 27 120.729 120.729 122.675 -1.946 18080 3203 1 17 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.767 -0.070 18080 3204 1 17 . 1 1 27 27 VAL CA C 27 64.557 64.557 65.071 -0.514 18080 3205 1 17 . 1 1 27 27 VAL CB C 27 28.836 28.836 30.782 -1.946 18080 3206 1 17 . 1 1 27 27 VAL H H 27 8.280 8.280 8.143 0.137 18080 3207 1 17 . 1 1 28 28 VAL N N 28 122.275 122.275 120.254 2.021 18080 3208 1 17 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.644 -0.081 18080 3209 1 17 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.676 -1.396 18080 3210 1 17 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.190 -2.351 18080 3211 1 17 . 1 1 28 28 VAL H H 28 8.577 8.577 7.755 0.822 18080 3212 1 17 . 1 1 29 29 ILE N N 29 118.627 118.627 119.432 -0.805 18080 3213 1 17 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.543 0.118 18080 3214 1 17 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.644 -2.513 18080 3215 1 17 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.303 -2.534 18080 3216 1 17 . 1 1 29 29 ILE H H 29 8.527 8.527 8.154 0.373 18080 3217 1 17 . 1 1 30 30 ALA N N 30 120.541 120.541 121.866 -1.325 18080 3218 1 17 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.911 0.062 18080 3219 1 17 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.594 -2.212 18080 3220 1 17 . 1 1 30 30 ALA CB C 30 15.554 15.554 17.995 -2.441 18080 3221 1 17 . 1 1 30 30 ALA H H 30 8.645 8.645 8.117 0.528 18080 3222 1 17 . 1 1 31 31 THR N N 31 113.932 113.932 115.904 -1.972 18080 3223 1 17 . 1 1 31 31 THR HA H 31 3.775 3.775 3.919 -0.144 18080 3224 1 17 . 1 1 31 31 THR CA C 31 66.027 66.027 66.705 -0.678 18080 3225 1 17 . 1 1 31 31 THR CB C 31 65.255 65.255 68.289 -3.034 18080 3226 1 17 . 1 1 31 31 THR H H 31 8.238 8.238 8.229 0.009 18080 3227 1 17 . 1 1 32 32 VAL N N 32 120.206 120.206 121.562 -1.356 18080 3228 1 17 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.573 0.036 18080 3229 1 17 . 1 1 32 32 VAL CA C 32 64.669 64.669 67.032 -2.363 18080 3230 1 17 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.490 -2.595 18080 3231 1 17 . 1 1 32 32 VAL H H 32 8.324 8.324 8.048 0.276 18080 3232 1 17 . 1 1 33 33 ILE N N 33 121.976 121.976 119.703 2.273 18080 3233 1 17 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.872 -0.215 18080 3234 1 17 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.625 0.216 18080 3235 1 17 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.235 -1.320 18080 3236 1 17 . 1 1 33 33 ILE H H 33 8.520 8.520 8.091 0.429 18080 3237 1 17 . 1 1 34 34 VAL N N 34 119.099 119.099 120.661 -1.562 18080 3238 1 17 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.663 -0.025 18080 3239 1 17 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.933 -1.256 18080 3240 1 17 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.009 -2.193 18080 3241 1 17 . 1 1 34 34 VAL H H 34 8.539 8.539 8.037 0.502 18080 3242 1 17 . 1 1 35 35 ILE N N 35 117.727 117.727 119.612 -1.885 18080 3243 1 17 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.621 0.045 18080 3244 1 17 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.549 -2.213 18080 3245 1 17 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.582 -2.522 18080 3246 1 17 . 1 1 35 35 ILE H H 35 8.690 8.690 8.374 0.316 18080 3247 1 17 . 1 1 36 36 THR N N 36 116.743 116.743 114.662 2.081 18080 3248 1 17 . 1 1 36 36 THR HA H 36 3.776 3.776 3.967 -0.191 18080 3249 1 17 . 1 1 36 36 THR CA C 36 66.196 66.196 65.715 0.481 18080 3250 1 17 . 1 1 36 36 THR CB C 36 65.191 65.191 68.838 -3.647 18080 3251 1 17 . 1 1 36 36 THR H H 36 8.267 8.267 8.148 0.119 18080 3252 1 17 . 1 1 37 37 LEU N N 37 120.103 120.103 122.836 -2.733 18080 3253 1 17 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.042 0.080 18080 3254 1 17 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.895 -1.826 18080 3255 1 17 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.549 -1.874 18080 3256 1 17 . 1 1 37 37 LEU H H 37 8.439 8.439 8.055 0.384 18080 3257 1 17 . 1 1 38 38 VAL N N 38 117.700 117.700 119.274 -1.574 18080 3258 1 17 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.592 0.130 18080 3259 1 17 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.681 -2.414 18080 3260 1 17 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.211 -2.269 18080 3261 1 17 . 1 1 38 38 VAL H H 38 8.470 8.470 8.413 0.057 18080 3262 1 17 . 1 1 39 39 MET N N 39 117.431 117.431 117.932 -0.501 18080 3263 1 17 . 1 1 39 39 MET HA H 39 4.351 4.351 4.161 0.190 18080 3264 1 17 . 1 1 39 39 MET CA C 39 55.609 55.609 58.764 -3.155 18080 3265 1 17 . 1 1 39 39 MET CB C 39 29.560 29.560 32.293 -2.733 18080 3266 1 17 . 1 1 39 39 MET H H 39 8.513 8.513 8.190 0.323 18080 3267 1 17 . 1 1 40 40 LEU N N 40 117.760 117.760 119.088 -1.328 18080 3268 1 17 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.118 0.211 18080 3269 1 17 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.273 -2.964 18080 3270 1 17 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.954 -2.260 18080 3271 1 17 . 1 1 40 40 LEU H H 40 8.399 8.399 7.974 0.425 18080 3272 1 17 . 1 1 41 41 LYS N N 41 117.042 117.042 117.615 -0.573 18080 3273 1 17 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.279 0.064 18080 3274 1 17 . 1 1 41 41 LYS CA C 41 54.375 54.375 58.072 -3.697 18080 3275 1 17 . 1 1 41 41 LYS CB C 41 30.149 30.149 33.456 -3.307 18080 3276 1 17 . 1 1 41 41 LYS H H 41 7.928 7.928 7.562 0.366 18080 3277 1 17 . 1 1 42 42 LYS N N 42 119.285 119.285 119.557 -0.272 18080 3278 1 17 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.411 0.000 18080 3279 1 17 . 1 1 42 42 LYS CA C 42 53.997 53.997 55.736 -1.738 18080 3280 1 17 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.990 -2.573 18080 3281 1 17 . 1 1 42 42 LYS H H 42 8.056 8.056 8.149 -0.093 18080 3282 1 18 . 1 1 2 2 SER N N 2 116.055 116.055 115.936 0.119 18080 3283 1 18 . 1 1 2 2 SER HA H 2 4.722 4.722 4.852 -0.130 18080 3284 1 18 . 1 1 2 2 SER CA C 2 56.168 56.168 57.465 -1.297 18080 3285 1 18 . 1 1 2 2 SER H H 2 8.902 8.902 8.633 0.269 18080 3286 1 18 . 1 1 3 3 GLN N N 3 123.740 123.740 119.710 4.030 18080 3287 1 18 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.162 0.167 18080 3288 1 18 . 1 1 3 3 GLN CA C 3 54.674 54.674 57.212 -2.538 18080 3289 1 18 . 1 1 3 3 GLN CB C 3 26.279 26.279 27.982 -1.703 18080 3290 1 18 . 1 1 3 3 GLN H H 3 8.817 8.817 8.656 0.161 18080 3291 1 18 . 1 1 4 4 LYS N N 4 120.182 120.182 118.557 1.625 18080 3292 1 18 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.403 -0.117 18080 3293 1 18 . 1 1 4 4 LYS CA C 4 55.656 55.656 56.533 -0.877 18080 3294 1 18 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.931 -2.504 18080 3295 1 18 . 1 1 4 4 LYS H H 4 8.442 8.442 8.125 0.317 18080 3296 1 18 . 1 1 5 5 LEU N N 5 119.225 119.225 122.509 -3.284 18080 3297 1 18 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.418 -0.085 18080 3298 1 18 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.328 -2.849 18080 3299 1 18 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.185 -1.728 18080 3300 1 18 . 1 1 5 5 LEU H H 5 8.181 8.181 8.072 0.109 18080 3301 1 18 . 1 1 6 6 VAL N N 6 118.118 118.118 118.333 -0.215 18080 3302 1 18 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.622 0.237 18080 3303 1 18 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.588 -4.105 18080 3304 1 18 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.141 -1.523 18080 3305 1 18 . 1 1 6 6 VAL H H 6 7.749 7.749 8.138 -0.389 18080 3306 1 18 . 1 1 7 7 PHE N N 7 119.494 119.494 120.620 -1.126 18080 3307 1 18 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.173 0.338 18080 3308 1 18 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.235 -4.219 18080 3309 1 18 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.799 -2.616 18080 3310 1 18 . 1 1 7 7 PHE H H 7 7.989 7.989 8.070 -0.081 18080 3311 1 18 . 1 1 8 8 PHE N N 8 118.388 118.388 119.270 -0.882 18080 3312 1 18 . 1 1 8 8 PHE HA H 8 4.445 4.445 3.928 0.517 18080 3313 1 18 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.110 -3.673 18080 3314 1 18 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.988 -2.354 18080 3315 1 18 . 1 1 8 8 PHE H H 8 8.031 8.031 7.826 0.205 18080 3316 1 18 . 1 1 9 9 ALA N N 9 120.899 120.899 122.568 -1.669 18080 3317 1 18 . 1 1 9 9 ALA HA H 9 4.066 4.066 4.077 -0.011 18080 3318 1 18 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.379 -3.352 18080 3319 1 18 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.212 -2.022 18080 3320 1 18 . 1 1 9 9 ALA H H 9 8.246 8.246 8.495 -0.249 18080 3321 1 18 . 1 1 10 10 GLU N N 10 115.098 115.098 116.083 -0.985 18080 3322 1 18 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.112 0.127 18080 3323 1 18 . 1 1 10 10 GLU CA C 10 55.032 55.032 57.603 -2.571 18080 3324 1 18 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.593 -3.560 18080 3325 1 18 . 1 1 10 10 GLU H H 10 8.167 8.167 8.129 0.038 18080 3326 1 18 . 1 1 11 11 ASP N N 11 118.059 118.059 118.721 -0.662 18080 3327 1 18 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.295 0.416 18080 3328 1 18 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.295 -4.262 18080 3329 1 18 . 1 1 11 11 ASP H H 11 8.174 8.174 7.868 0.306 18080 3330 1 18 . 1 1 12 12 VAL N N 12 116.474 116.474 117.914 -1.440 18080 3331 1 18 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.867 0.192 18080 3332 1 18 . 1 1 12 12 VAL CA C 12 61.057 61.057 63.362 -2.305 18080 3333 1 18 . 1 1 12 12 VAL CB C 12 29.513 29.513 32.438 -2.925 18080 3334 1 18 . 1 1 12 12 VAL H H 12 7.846 7.846 7.158 0.688 18080 3335 1 18 . 1 1 13 13 GLY N N 13 107.383 107.383 107.258 0.125 18080 3336 1 18 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.432 -1.887 18080 3337 1 18 . 1 1 13 13 GLY H H 13 8.163 8.163 7.439 0.724 18080 3338 1 18 . 1 1 14 14 SER N N 14 113.723 113.723 117.099 -3.376 18080 3339 1 18 . 1 1 14 14 SER HA H 14 4.567 4.567 4.208 0.359 18080 3340 1 18 . 1 1 14 14 SER CA C 14 56.065 56.065 60.243 -4.178 18080 3341 1 18 . 1 1 14 14 SER CB C 14 61.566 61.566 63.662 -2.096 18080 3342 1 18 . 1 1 14 14 SER H H 14 8.031 8.031 8.387 -0.356 18080 3343 1 18 . 1 1 15 15 ASN N N 15 120.384 120.384 116.235 4.149 18080 3344 1 18 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.768 0.121 18080 3345 1 18 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.297 -2.092 18080 3346 1 18 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.079 -1.399 18080 3347 1 18 . 1 1 15 15 ASN H H 15 8.334 8.334 8.054 0.280 18080 3348 1 18 . 1 1 16 16 LYS N N 16 121.348 121.348 123.526 -2.178 18080 3349 1 18 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.214 -0.055 18080 3350 1 18 . 1 1 16 16 LYS CA C 16 56.438 56.438 58.158 -1.720 18080 3351 1 18 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.352 -2.182 18080 3352 1 18 . 1 1 16 16 LYS H H 16 8.610 8.610 8.557 0.053 18080 3353 1 18 . 1 1 17 17 GLY N N 17 106.755 106.755 108.114 -1.359 18080 3354 1 18 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.838 -2.063 18080 3355 1 18 . 1 1 17 17 GLY H H 17 8.620 8.620 8.430 0.190 18080 3356 1 18 . 1 1 18 18 ALA N N 18 122.574 122.574 124.793 -2.219 18080 3357 1 18 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.008 0.192 18080 3358 1 18 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.964 -2.552 18080 3359 1 18 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.333 -2.121 18080 3360 1 18 . 1 1 18 18 ALA H H 18 8.099 8.099 7.904 0.195 18080 3361 1 18 . 1 1 19 19 ILE N N 19 116.264 116.264 119.177 -2.913 18080 3362 1 18 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.542 0.356 18080 3363 1 18 . 1 1 19 19 ILE CA C 19 61.770 61.770 65.568 -3.798 18080 3364 1 18 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.849 -2.715 18080 3365 1 18 . 1 1 19 19 ILE H H 19 7.899 7.899 7.304 0.595 18080 3366 1 18 . 1 1 20 20 ILE N N 20 119.344 119.344 120.090 -0.746 18080 3367 1 18 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.567 0.272 18080 3368 1 18 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.002 -3.387 18080 3369 1 18 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.520 -2.548 18080 3370 1 18 . 1 1 20 20 ILE H H 20 8.210 8.210 7.905 0.305 18080 3371 1 18 . 1 1 21 21 GLY N N 21 106.546 106.546 107.422 -0.876 18080 3372 1 18 . 1 1 21 21 GLY CA C 21 45.299 45.299 46.957 -1.658 18080 3373 1 18 . 1 1 21 21 GLY H H 21 8.531 8.531 8.151 0.380 18080 3374 1 18 . 1 1 22 22 LEU N N 22 120.869 120.869 123.152 -2.283 18080 3375 1 18 . 1 1 22 22 LEU HA H 22 4.122 4.122 3.955 0.167 18080 3376 1 18 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.958 -2.063 18080 3377 1 18 . 1 1 22 22 LEU CB C 22 39.708 39.708 42.114 -2.406 18080 3378 1 18 . 1 1 22 22 LEU H H 22 8.310 8.310 8.403 -0.093 18080 3379 1 18 . 1 1 23 23 MET N N 23 117.191 117.191 118.242 -1.051 18080 3380 1 18 . 1 1 23 23 MET HA H 23 4.167 4.167 4.037 0.130 18080 3381 1 18 . 1 1 23 23 MET CA C 23 56.961 56.961 59.938 -2.977 18080 3382 1 18 . 1 1 23 23 MET CB C 23 30.421 30.421 32.799 -2.378 18080 3383 1 18 . 1 1 23 23 MET H H 23 8.263 8.263 8.043 0.220 18080 3384 1 18 . 1 1 24 24 VAL N N 24 117.660 117.660 118.366 -0.706 18080 3385 1 18 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.593 0.008 18080 3386 1 18 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.470 -1.789 18080 3387 1 18 . 1 1 24 24 VAL CB C 24 28.867 28.867 31.201 -2.334 18080 3388 1 18 . 1 1 24 24 VAL H H 24 8.682 8.682 8.629 0.053 18080 3389 1 18 . 1 1 25 25 GLY N N 25 106.038 106.038 107.260 -1.222 18080 3390 1 18 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.035 -1.972 18080 3391 1 18 . 1 1 25 25 GLY H H 25 8.774 8.774 8.171 0.603 18080 3392 1 18 . 1 1 26 26 GLY N N 26 108.191 108.191 110.173 -1.982 18080 3393 1 18 . 1 1 26 26 GLY CA C 26 44.968 44.968 47.031 -2.063 18080 3394 1 18 . 1 1 26 26 GLY H H 26 8.806 8.806 8.097 0.709 18080 3395 1 18 . 1 1 27 27 VAL N N 27 120.729 120.729 122.524 -1.795 18080 3396 1 18 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.764 -0.067 18080 3397 1 18 . 1 1 27 27 VAL CA C 27 64.557 64.557 65.025 -0.468 18080 3398 1 18 . 1 1 27 27 VAL CB C 27 28.836 28.836 30.809 -1.973 18080 3399 1 18 . 1 1 27 27 VAL H H 27 8.280 8.280 8.123 0.157 18080 3400 1 18 . 1 1 28 28 VAL N N 28 122.275 122.275 120.485 1.790 18080 3401 1 18 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.631 -0.068 18080 3402 1 18 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.673 -1.393 18080 3403 1 18 . 1 1 28 28 VAL CB C 28 28.839 28.839 30.959 -2.120 18080 3404 1 18 . 1 1 28 28 VAL H H 28 8.577 8.577 7.803 0.774 18080 3405 1 18 . 1 1 29 29 ILE N N 29 118.627 118.627 119.805 -1.178 18080 3406 1 18 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.673 -0.012 18080 3407 1 18 . 1 1 29 29 ILE CA C 29 63.131 63.131 64.208 -1.077 18080 3408 1 18 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.165 -1.396 18080 3409 1 18 . 1 1 29 29 ILE H H 29 8.527 8.527 8.324 0.203 18080 3410 1 18 . 1 1 30 30 ALA N N 30 120.541 120.541 121.953 -1.412 18080 3411 1 18 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.901 0.072 18080 3412 1 18 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.568 -2.186 18080 3413 1 18 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.068 -2.514 18080 3414 1 18 . 1 1 30 30 ALA H H 30 8.645 8.645 8.123 0.522 18080 3415 1 18 . 1 1 31 31 THR N N 31 113.932 113.932 116.358 -2.426 18080 3416 1 18 . 1 1 31 31 THR HA H 31 3.775 3.775 3.838 -0.063 18080 3417 1 18 . 1 1 31 31 THR CA C 31 66.027 66.027 67.759 -1.732 18080 3418 1 18 . 1 1 31 31 THR CB C 31 65.255 65.255 68.719 -3.464 18080 3419 1 18 . 1 1 31 31 THR H H 31 8.238 8.238 8.184 0.054 18080 3420 1 18 . 1 1 32 32 VAL N N 32 120.206 120.206 121.500 -1.294 18080 3421 1 18 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.526 0.083 18080 3422 1 18 . 1 1 32 32 VAL CA C 32 64.669 64.669 67.108 -2.439 18080 3423 1 18 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.521 -2.626 18080 3424 1 18 . 1 1 32 32 VAL H H 32 8.324 8.324 7.948 0.376 18080 3425 1 18 . 1 1 33 33 ILE N N 33 121.976 121.976 120.097 1.879 18080 3426 1 18 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.732 -0.075 18080 3427 1 18 . 1 1 33 33 ILE CA C 33 63.841 63.841 65.294 -1.453 18080 3428 1 18 . 1 1 33 33 ILE CB C 33 34.915 34.915 37.534 -2.619 18080 3429 1 18 . 1 1 33 33 ILE H H 33 8.520 8.520 8.101 0.419 18080 3430 1 18 . 1 1 34 34 VAL N N 34 119.099 119.099 120.561 -1.462 18080 3431 1 18 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.603 0.035 18080 3432 1 18 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.955 -1.277 18080 3433 1 18 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.100 -2.284 18080 3434 1 18 . 1 1 34 34 VAL H H 34 8.539 8.539 8.167 0.372 18080 3435 1 18 . 1 1 35 35 ILE N N 35 117.727 117.727 119.706 -1.979 18080 3436 1 18 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.728 -0.062 18080 3437 1 18 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.448 -1.112 18080 3438 1 18 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.434 -1.374 18080 3439 1 18 . 1 1 35 35 ILE H H 35 8.690 8.690 8.471 0.219 18080 3440 1 18 . 1 1 36 36 THR N N 36 116.743 116.743 115.544 1.199 18080 3441 1 18 . 1 1 36 36 THR HA H 36 3.776 3.776 3.986 -0.210 18080 3442 1 18 . 1 1 36 36 THR CA C 36 66.196 66.196 66.067 0.129 18080 3443 1 18 . 1 1 36 36 THR CB C 36 65.191 65.191 68.664 -3.473 18080 3444 1 18 . 1 1 36 36 THR H H 36 8.267 8.267 8.254 0.013 18080 3445 1 18 . 1 1 37 37 LEU N N 37 120.103 120.103 122.510 -2.407 18080 3446 1 18 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.005 0.117 18080 3447 1 18 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.933 -1.864 18080 3448 1 18 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.639 -1.964 18080 3449 1 18 . 1 1 37 37 LEU H H 37 8.439 8.439 8.236 0.203 18080 3450 1 18 . 1 1 38 38 VAL N N 38 117.700 117.700 118.559 -0.859 18080 3451 1 18 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.554 0.168 18080 3452 1 18 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.917 -2.650 18080 3453 1 18 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.974 -3.032 18080 3454 1 18 . 1 1 38 38 VAL H H 38 8.470 8.470 8.015 0.455 18080 3455 1 18 . 1 1 39 39 MET N N 39 117.431 117.431 118.696 -1.265 18080 3456 1 18 . 1 1 39 39 MET HA H 39 4.351 4.351 4.170 0.181 18080 3457 1 18 . 1 1 39 39 MET CA C 39 55.609 55.609 58.149 -2.540 18080 3458 1 18 . 1 1 39 39 MET CB C 39 29.560 29.560 32.289 -2.729 18080 3459 1 18 . 1 1 39 39 MET H H 39 8.513 8.513 8.204 0.309 18080 3460 1 18 . 1 1 40 40 LEU N N 40 117.760 117.760 118.945 -1.185 18080 3461 1 18 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.021 0.308 18080 3462 1 18 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.804 -3.495 18080 3463 1 18 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.222 -1.528 18080 3464 1 18 . 1 1 40 40 LEU H H 40 8.399 8.399 8.378 0.021 18080 3465 1 18 . 1 1 41 41 LYS N N 41 117.042 117.042 118.098 -1.056 18080 3466 1 18 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.278 0.065 18080 3467 1 18 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.080 -2.705 18080 3468 1 18 . 1 1 41 41 LYS CB C 41 30.149 30.149 33.082 -2.933 18080 3469 1 18 . 1 1 41 41 LYS H H 41 7.928 7.928 7.737 0.191 18080 3470 1 18 . 1 1 42 42 LYS N N 42 119.285 119.285 120.282 -0.997 18080 3471 1 18 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.242 0.169 18080 3472 1 18 . 1 1 42 42 LYS CA C 42 53.997 53.997 56.536 -2.539 18080 3473 1 18 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.925 -2.508 18080 3474 1 18 . 1 1 42 42 LYS H H 42 8.056 8.056 7.634 0.422 18080 3475 1 19 . 1 1 2 2 SER N N 2 116.055 116.055 115.157 0.898 18080 3476 1 19 . 1 1 2 2 SER HA H 2 4.722 4.722 4.514 0.207 18080 3477 1 19 . 1 1 2 2 SER CA C 2 56.168 56.168 58.205 -2.037 18080 3478 1 19 . 1 1 2 2 SER H H 2 8.902 8.902 8.181 0.721 18080 3479 1 19 . 1 1 3 3 GLN N N 3 123.740 123.740 123.524 0.216 18080 3480 1 19 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.540 -0.211 18080 3481 1 19 . 1 1 3 3 GLN CA C 3 54.674 54.674 56.000 -1.326 18080 3482 1 19 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.496 -3.217 18080 3483 1 19 . 1 1 3 3 GLN H H 3 8.817 8.817 8.765 0.052 18080 3484 1 19 . 1 1 4 4 LYS N N 4 120.182 120.182 119.971 0.211 18080 3485 1 19 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.591 -0.305 18080 3486 1 19 . 1 1 4 4 LYS CA C 4 55.656 55.656 56.870 -1.214 18080 3487 1 19 . 1 1 4 4 LYS CB C 4 30.427 30.427 33.403 -2.976 18080 3488 1 19 . 1 1 4 4 LYS H H 4 8.442 8.442 7.803 0.639 18080 3489 1 19 . 1 1 5 5 LEU N N 5 119.225 119.225 121.645 -2.420 18080 3490 1 19 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.136 0.197 18080 3491 1 19 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.689 -3.210 18080 3492 1 19 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.378 -1.921 18080 3493 1 19 . 1 1 5 5 LEU H H 5 8.181 8.181 7.996 0.185 18080 3494 1 19 . 1 1 6 6 VAL N N 6 118.118 118.118 118.213 -0.095 18080 3495 1 19 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.670 0.189 18080 3496 1 19 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.670 -4.187 18080 3497 1 19 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.230 -1.613 18080 3498 1 19 . 1 1 6 6 VAL H H 6 7.749 7.749 8.036 -0.287 18080 3499 1 19 . 1 1 7 7 PHE N N 7 119.494 119.494 120.437 -0.943 18080 3500 1 19 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.186 0.325 18080 3501 1 19 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.737 -4.721 18080 3502 1 19 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.802 -2.619 18080 3503 1 19 . 1 1 7 7 PHE H H 7 7.989 7.989 8.062 -0.073 18080 3504 1 19 . 1 1 8 8 PHE N N 8 118.388 118.388 118.287 0.101 18080 3505 1 19 . 1 1 8 8 PHE HA H 8 4.445 4.445 3.920 0.525 18080 3506 1 19 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.368 -3.931 18080 3507 1 19 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.180 -1.546 18080 3508 1 19 . 1 1 8 8 PHE H H 8 8.031 8.031 7.872 0.159 18080 3509 1 19 . 1 1 9 9 ALA N N 9 120.899 120.899 120.851 0.048 18080 3510 1 19 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.960 0.106 18080 3511 1 19 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.244 -3.217 18080 3512 1 19 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.059 -1.869 18080 3513 1 19 . 1 1 9 9 ALA H H 9 8.246 8.246 8.449 -0.203 18080 3514 1 19 . 1 1 10 10 GLU N N 10 115.098 115.098 118.008 -2.910 18080 3515 1 19 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.095 0.144 18080 3516 1 19 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.650 -3.618 18080 3517 1 19 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.525 -3.492 18080 3518 1 19 . 1 1 10 10 GLU H H 10 8.167 8.167 7.988 0.179 18080 3519 1 19 . 1 1 11 11 ASP N N 11 118.059 118.059 118.694 -0.635 18080 3520 1 19 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.338 0.373 18080 3521 1 19 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.319 -4.286 18080 3522 1 19 . 1 1 11 11 ASP H H 11 8.174 8.174 7.972 0.202 18080 3523 1 19 . 1 1 12 12 VAL N N 12 116.474 116.474 114.651 1.823 18080 3524 1 19 . 1 1 12 12 VAL HA H 12 4.059 4.059 4.201 -0.142 18080 3525 1 19 . 1 1 12 12 VAL CA C 12 61.057 61.057 63.190 -2.133 18080 3526 1 19 . 1 1 12 12 VAL CB C 12 29.513 29.513 32.093 -2.580 18080 3527 1 19 . 1 1 12 12 VAL H H 12 7.846 7.846 7.939 -0.093 18080 3528 1 19 . 1 1 13 13 GLY N N 13 107.383 107.383 110.809 -3.426 18080 3529 1 19 . 1 1 13 13 GLY CA C 13 43.545 43.545 45.703 -2.158 18080 3530 1 19 . 1 1 13 13 GLY H H 13 8.163 8.163 7.660 0.503 18080 3531 1 19 . 1 1 14 14 SER N N 14 113.723 113.723 115.969 -2.246 18080 3532 1 19 . 1 1 14 14 SER HA H 14 4.567 4.567 4.402 0.165 18080 3533 1 19 . 1 1 14 14 SER CA C 14 56.065 56.065 58.607 -2.542 18080 3534 1 19 . 1 1 14 14 SER CB C 14 61.566 61.566 62.600 -1.034 18080 3535 1 19 . 1 1 14 14 SER H H 14 8.031 8.031 8.229 -0.198 18080 3536 1 19 . 1 1 15 15 ASN N N 15 120.384 120.384 125.840 -5.456 18080 3537 1 19 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.847 0.042 18080 3538 1 19 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.974 -2.769 18080 3539 1 19 . 1 1 15 15 ASN CB C 15 36.680 36.680 39.833 -3.153 18080 3540 1 19 . 1 1 15 15 ASN H H 15 8.334 8.334 8.684 -0.350 18080 3541 1 19 . 1 1 16 16 LYS N N 16 121.348 121.348 125.577 -4.229 18080 3542 1 19 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.322 -0.163 18080 3543 1 19 . 1 1 16 16 LYS CA C 16 56.438 56.438 57.857 -1.419 18080 3544 1 19 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.842 -2.672 18080 3545 1 19 . 1 1 16 16 LYS H H 16 8.610 8.610 8.551 0.059 18080 3546 1 19 . 1 1 17 17 GLY N N 17 106.755 106.755 107.370 -0.615 18080 3547 1 19 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.654 -1.879 18080 3548 1 19 . 1 1 17 17 GLY H H 17 8.620 8.620 8.148 0.472 18080 3549 1 19 . 1 1 18 18 ALA N N 18 122.574 122.574 125.044 -2.470 18080 3550 1 19 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.039 0.161 18080 3551 1 19 . 1 1 18 18 ALA CA C 18 52.412 52.412 55.470 -3.058 18080 3552 1 19 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.257 -2.045 18080 3553 1 19 . 1 1 18 18 ALA H H 18 8.099 8.099 7.846 0.253 18080 3554 1 19 . 1 1 19 19 ILE N N 19 116.264 116.264 119.120 -2.856 18080 3555 1 19 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.735 0.163 18080 3556 1 19 . 1 1 19 19 ILE CA C 19 61.770 61.770 63.636 -1.866 18080 3557 1 19 . 1 1 19 19 ILE CB C 19 35.134 35.134 36.886 -1.752 18080 3558 1 19 . 1 1 19 19 ILE H H 19 7.899 7.899 7.565 0.334 18080 3559 1 19 . 1 1 20 20 ILE N N 20 119.344 119.344 119.772 -0.428 18080 3560 1 19 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.621 0.218 18080 3561 1 19 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.051 -3.436 18080 3562 1 19 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.447 -2.475 18080 3563 1 19 . 1 1 20 20 ILE H H 20 8.210 8.210 7.435 0.775 18080 3564 1 19 . 1 1 21 21 GLY N N 21 106.546 106.546 107.342 -0.796 18080 3565 1 19 . 1 1 21 21 GLY CA C 21 45.299 45.299 46.946 -1.647 18080 3566 1 19 . 1 1 21 21 GLY H H 21 8.531 8.531 8.174 0.357 18080 3567 1 19 . 1 1 22 22 LEU N N 22 120.869 120.869 123.021 -2.152 18080 3568 1 19 . 1 1 22 22 LEU HA H 22 4.122 4.122 3.992 0.130 18080 3569 1 19 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.946 -2.052 18080 3570 1 19 . 1 1 22 22 LEU CB C 22 39.708 39.708 42.161 -2.454 18080 3571 1 19 . 1 1 22 22 LEU H H 22 8.310 8.310 8.383 -0.073 18080 3572 1 19 . 1 1 23 23 MET N N 23 117.191 117.191 118.052 -0.861 18080 3573 1 19 . 1 1 23 23 MET HA H 23 4.167 4.167 4.143 0.024 18080 3574 1 19 . 1 1 23 23 MET CA C 23 56.961 56.961 58.577 -1.616 18080 3575 1 19 . 1 1 23 23 MET CB C 23 30.421 30.421 31.820 -1.399 18080 3576 1 19 . 1 1 23 23 MET H H 23 8.263 8.263 8.135 0.128 18080 3577 1 19 . 1 1 24 24 VAL N N 24 117.660 117.660 118.192 -0.532 18080 3578 1 19 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.703 -0.102 18080 3579 1 19 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.379 -1.698 18080 3580 1 19 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.506 -1.639 18080 3581 1 19 . 1 1 24 24 VAL H H 24 8.682 8.682 8.647 0.035 18080 3582 1 19 . 1 1 25 25 GLY N N 25 106.038 106.038 107.435 -1.397 18080 3583 1 19 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.114 -2.051 18080 3584 1 19 . 1 1 25 25 GLY H H 25 8.774 8.774 8.213 0.561 18080 3585 1 19 . 1 1 26 26 GLY N N 26 108.191 108.191 110.445 -2.254 18080 3586 1 19 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.833 -1.865 18080 3587 1 19 . 1 1 26 26 GLY H H 26 8.806 8.806 8.070 0.736 18080 3588 1 19 . 1 1 27 27 VAL N N 27 120.729 120.729 122.704 -1.975 18080 3589 1 19 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.630 0.067 18080 3590 1 19 . 1 1 27 27 VAL CA C 27 64.557 64.557 67.228 -2.671 18080 3591 1 19 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.783 -2.947 18080 3592 1 19 . 1 1 27 27 VAL H H 27 8.280 8.280 8.029 0.251 18080 3593 1 19 . 1 1 28 28 VAL N N 28 122.275 122.275 119.876 2.399 18080 3594 1 19 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.583 -0.020 18080 3595 1 19 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.889 -1.609 18080 3596 1 19 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.221 -2.382 18080 3597 1 19 . 1 1 28 28 VAL H H 28 8.577 8.577 7.686 0.891 18080 3598 1 19 . 1 1 29 29 ILE N N 29 118.627 118.627 119.600 -0.973 18080 3599 1 19 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.573 0.088 18080 3600 1 19 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.467 -2.336 18080 3601 1 19 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.351 -2.582 18080 3602 1 19 . 1 1 29 29 ILE H H 29 8.527 8.527 8.291 0.236 18080 3603 1 19 . 1 1 30 30 ALA N N 30 120.541 120.541 121.873 -1.332 18080 3604 1 19 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.908 0.065 18080 3605 1 19 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.601 -2.219 18080 3606 1 19 . 1 1 30 30 ALA CB C 30 15.554 15.554 17.991 -2.437 18080 3607 1 19 . 1 1 30 30 ALA H H 30 8.645 8.645 8.113 0.532 18080 3608 1 19 . 1 1 31 31 THR N N 31 113.932 113.932 115.833 -1.901 18080 3609 1 19 . 1 1 31 31 THR HA H 31 3.775 3.775 3.936 -0.161 18080 3610 1 19 . 1 1 31 31 THR CA C 31 66.027 66.027 66.331 -0.303 18080 3611 1 19 . 1 1 31 31 THR CB C 31 65.255 65.255 68.251 -2.996 18080 3612 1 19 . 1 1 31 31 THR H H 31 8.238 8.238 8.240 -0.002 18080 3613 1 19 . 1 1 32 32 VAL N N 32 120.206 120.206 121.357 -1.151 18080 3614 1 19 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.649 -0.040 18080 3615 1 19 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.662 -1.993 18080 3616 1 19 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.184 -2.289 18080 3617 1 19 . 1 1 32 32 VAL H H 32 8.324 8.324 8.030 0.294 18080 3618 1 19 . 1 1 33 33 ILE N N 33 121.976 121.976 119.849 2.127 18080 3619 1 19 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.733 -0.076 18080 3620 1 19 . 1 1 33 33 ILE CA C 33 63.841 63.841 65.336 -1.495 18080 3621 1 19 . 1 1 33 33 ILE CB C 33 34.915 34.915 37.630 -2.715 18080 3622 1 19 . 1 1 33 33 ILE H H 33 8.520 8.520 8.005 0.515 18080 3623 1 19 . 1 1 34 34 VAL N N 34 119.099 119.099 120.487 -1.388 18080 3624 1 19 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.544 0.094 18080 3625 1 19 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.344 -1.666 18080 3626 1 19 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.676 -2.860 18080 3627 1 19 . 1 1 34 34 VAL H H 34 8.539 8.539 7.892 0.647 18080 3628 1 19 . 1 1 35 35 ILE N N 35 117.727 117.727 119.596 -1.869 18080 3629 1 19 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.594 0.072 18080 3630 1 19 . 1 1 35 35 ILE CA C 35 63.336 63.336 65.514 -2.178 18080 3631 1 19 . 1 1 35 35 ILE CB C 35 35.060 35.060 37.482 -2.422 18080 3632 1 19 . 1 1 35 35 ILE H H 35 8.690 8.690 8.331 0.359 18080 3633 1 19 . 1 1 36 36 THR N N 36 116.743 116.743 115.484 1.259 18080 3634 1 19 . 1 1 36 36 THR HA H 36 3.776 3.776 3.953 -0.177 18080 3635 1 19 . 1 1 36 36 THR CA C 36 66.196 66.196 65.927 0.269 18080 3636 1 19 . 1 1 36 36 THR CB C 36 65.191 65.191 68.607 -3.416 18080 3637 1 19 . 1 1 36 36 THR H H 36 8.267 8.267 8.291 -0.024 18080 3638 1 19 . 1 1 37 37 LEU N N 37 120.103 120.103 123.009 -2.906 18080 3639 1 19 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.043 0.079 18080 3640 1 19 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.816 -1.747 18080 3641 1 19 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.533 -1.858 18080 3642 1 19 . 1 1 37 37 LEU H H 37 8.439 8.439 8.006 0.433 18080 3643 1 19 . 1 1 38 38 VAL N N 38 117.700 117.700 118.306 -0.606 18080 3644 1 19 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.510 0.212 18080 3645 1 19 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.933 -2.666 18080 3646 1 19 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.425 -2.483 18080 3647 1 19 . 1 1 38 38 VAL H H 38 8.470 8.470 8.179 0.291 18080 3648 1 19 . 1 1 39 39 MET N N 39 117.431 117.431 115.522 1.909 18080 3649 1 19 . 1 1 39 39 MET HA H 39 4.351 4.351 4.302 0.049 18080 3650 1 19 . 1 1 39 39 MET CA C 39 55.609 55.609 58.147 -2.538 18080 3651 1 19 . 1 1 39 39 MET CB C 39 29.560 29.560 32.447 -2.887 18080 3652 1 19 . 1 1 39 39 MET H H 39 8.513 8.513 7.903 0.610 18080 3653 1 19 . 1 1 40 40 LEU N N 40 117.760 117.760 120.363 -2.603 18080 3654 1 19 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.019 0.310 18080 3655 1 19 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.707 -3.398 18080 3656 1 19 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.380 -1.686 18080 3657 1 19 . 1 1 40 40 LEU H H 40 8.399 8.399 8.140 0.259 18080 3658 1 19 . 1 1 41 41 LYS N N 41 117.042 117.042 116.203 0.839 18080 3659 1 19 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.089 0.254 18080 3660 1 19 . 1 1 41 41 LYS CA C 41 54.375 54.375 58.717 -4.341 18080 3661 1 19 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.965 -2.816 18080 3662 1 19 . 1 1 41 41 LYS H H 41 7.928 7.928 7.661 0.267 18080 3663 1 19 . 1 1 42 42 LYS N N 42 119.285 119.285 115.603 3.682 18080 3664 1 19 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.292 0.119 18080 3665 1 19 . 1 1 42 42 LYS CA C 42 53.997 53.997 56.691 -2.694 18080 3666 1 19 . 1 1 42 42 LYS CB C 42 30.417 30.417 33.490 -3.073 18080 3667 1 19 . 1 1 42 42 LYS H H 42 8.056 8.056 7.650 0.406 18080 3668 1 20 . 1 1 2 2 SER N N 2 116.055 116.055 114.828 1.227 18080 3669 1 20 . 1 1 2 2 SER HA H 2 4.722 4.722 4.478 0.244 18080 3670 1 20 . 1 1 2 2 SER CA C 2 56.168 56.168 58.351 -2.183 18080 3671 1 20 . 1 1 2 2 SER H H 2 8.902 8.902 8.335 0.567 18080 3672 1 20 . 1 1 3 3 GLN N N 3 123.740 123.740 119.624 4.116 18080 3673 1 20 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.547 -0.218 18080 3674 1 20 . 1 1 3 3 GLN CA C 3 54.674 54.674 55.784 -1.110 18080 3675 1 20 . 1 1 3 3 GLN CB C 3 26.279 26.279 29.633 -3.354 18080 3676 1 20 . 1 1 3 3 GLN H H 3 8.817 8.817 8.427 0.390 18080 3677 1 20 . 1 1 4 4 LYS N N 4 120.182 120.182 119.370 0.812 18080 3678 1 20 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.386 -0.100 18080 3679 1 20 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.173 -1.517 18080 3680 1 20 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.894 -2.467 18080 3681 1 20 . 1 1 4 4 LYS H H 4 8.442 8.442 8.222 0.220 18080 3682 1 20 . 1 1 5 5 LEU N N 5 119.225 119.225 121.041 -1.816 18080 3683 1 20 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.399 -0.066 18080 3684 1 20 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.681 -3.202 18080 3685 1 20 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.873 -2.416 18080 3686 1 20 . 1 1 5 5 LEU H H 5 8.181 8.181 8.113 0.068 18080 3687 1 20 . 1 1 6 6 VAL N N 6 118.118 118.118 118.343 -0.225 18080 3688 1 20 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.626 0.234 18080 3689 1 20 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.396 -3.913 18080 3690 1 20 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.596 -1.978 18080 3691 1 20 . 1 1 6 6 VAL H H 6 7.749 7.749 7.784 -0.035 18080 3692 1 20 . 1 1 7 7 PHE N N 7 119.494 119.494 120.405 -0.911 18080 3693 1 20 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.029 0.482 18080 3694 1 20 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.371 -4.356 18080 3695 1 20 . 1 1 7 7 PHE CB C 7 36.183 36.183 39.019 -2.836 18080 3696 1 20 . 1 1 7 7 PHE H H 7 7.989 7.989 7.807 0.182 18080 3697 1 20 . 1 1 8 8 PHE N N 8 118.388 118.388 117.721 0.667 18080 3698 1 20 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.027 0.418 18080 3699 1 20 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.279 -3.842 18080 3700 1 20 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.071 -1.437 18080 3701 1 20 . 1 1 8 8 PHE H H 8 8.031 8.031 7.622 0.409 18080 3702 1 20 . 1 1 9 9 ALA N N 9 120.899 120.899 122.236 -1.337 18080 3703 1 20 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.965 0.101 18080 3704 1 20 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.488 -3.461 18080 3705 1 20 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.176 -1.986 18080 3706 1 20 . 1 1 9 9 ALA H H 9 8.246 8.246 8.457 -0.211 18080 3707 1 20 . 1 1 10 10 GLU N N 10 115.098 115.098 116.913 -1.815 18080 3708 1 20 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.055 0.184 18080 3709 1 20 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.518 -3.486 18080 3710 1 20 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.475 -3.442 18080 3711 1 20 . 1 1 10 10 GLU H H 10 8.167 8.167 8.264 -0.097 18080 3712 1 20 . 1 1 11 11 ASP N N 11 118.059 118.059 120.677 -2.618 18080 3713 1 20 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.280 0.431 18080 3714 1 20 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.353 -4.320 18080 3715 1 20 . 1 1 11 11 ASP H H 11 8.174 8.174 7.815 0.359 18080 3716 1 20 . 1 1 12 12 VAL N N 12 116.474 116.474 118.901 -2.427 18080 3717 1 20 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.896 0.163 18080 3718 1 20 . 1 1 12 12 VAL CA C 12 61.057 61.057 63.518 -2.461 18080 3719 1 20 . 1 1 12 12 VAL CB C 12 29.513 29.513 32.522 -3.009 18080 3720 1 20 . 1 1 12 12 VAL H H 12 7.846 7.846 8.054 -0.208 18080 3721 1 20 . 1 1 13 13 GLY N N 13 107.383 107.383 106.521 0.862 18080 3722 1 20 . 1 1 13 13 GLY CA C 13 43.545 43.545 44.787 -1.242 18080 3723 1 20 . 1 1 13 13 GLY H H 13 8.163 8.163 7.575 0.588 18080 3724 1 20 . 1 1 14 14 SER N N 14 113.723 113.723 116.680 -2.957 18080 3725 1 20 . 1 1 14 14 SER HA H 14 4.567 4.567 4.517 0.050 18080 3726 1 20 . 1 1 14 14 SER CA C 14 56.065 56.065 58.327 -2.262 18080 3727 1 20 . 1 1 14 14 SER CB C 14 61.566 61.566 63.505 -1.939 18080 3728 1 20 . 1 1 14 14 SER H H 14 8.031 8.031 8.486 -0.455 18080 3729 1 20 . 1 1 15 15 ASN N N 15 120.384 120.384 119.687 0.697 18080 3730 1 20 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.643 0.246 18080 3731 1 20 . 1 1 15 15 ASN CA C 15 51.205 51.205 55.207 -4.002 18080 3732 1 20 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.461 -1.781 18080 3733 1 20 . 1 1 15 15 ASN H H 15 8.334 8.334 8.590 -0.256 18080 3734 1 20 . 1 1 16 16 LYS N N 16 121.348 121.348 115.503 5.845 18080 3735 1 20 . 1 1 16 16 LYS HA H 16 4.159 4.159 3.890 0.269 18080 3736 1 20 . 1 1 16 16 LYS CA C 16 56.438 56.438 58.773 -2.335 18080 3737 1 20 . 1 1 16 16 LYS CB C 16 30.170 30.170 30.181 -0.011 18080 3738 1 20 . 1 1 16 16 LYS H H 16 8.610 8.610 8.282 0.328 18080 3739 1 20 . 1 1 17 17 GLY N N 17 106.755 106.755 107.924 -1.169 18080 3740 1 20 . 1 1 17 17 GLY CA C 17 44.775 44.775 47.050 -2.275 18080 3741 1 20 . 1 1 17 17 GLY H H 17 8.620 8.620 8.487 0.133 18080 3742 1 20 . 1 1 18 18 ALA N N 18 122.574 122.574 124.925 -2.351 18080 3743 1 20 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.045 0.155 18080 3744 1 20 . 1 1 18 18 ALA CA C 18 52.412 52.412 55.084 -2.671 18080 3745 1 20 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.416 -2.204 18080 3746 1 20 . 1 1 18 18 ALA H H 18 8.099 8.099 7.720 0.379 18080 3747 1 20 . 1 1 19 19 ILE N N 19 116.264 116.264 119.980 -3.716 18080 3748 1 20 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.602 0.296 18080 3749 1 20 . 1 1 19 19 ILE CA C 19 61.770 61.770 64.956 -3.186 18080 3750 1 20 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.571 -2.437 18080 3751 1 20 . 1 1 19 19 ILE H H 19 7.899 7.899 7.997 -0.098 18080 3752 1 20 . 1 1 20 20 ILE N N 20 119.344 119.344 119.673 -0.329 18080 3753 1 20 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.570 0.269 18080 3754 1 20 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.095 -3.480 18080 3755 1 20 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.424 -2.452 18080 3756 1 20 . 1 1 20 20 ILE H H 20 8.210 8.210 7.948 0.262 18080 3757 1 20 . 1 1 21 21 GLY N N 21 106.546 106.546 107.639 -1.093 18080 3758 1 20 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.020 -1.721 18080 3759 1 20 . 1 1 21 21 GLY H H 21 8.531 8.531 8.241 0.290 18080 3760 1 20 . 1 1 22 22 LEU N N 22 120.869 120.869 123.517 -2.648 18080 3761 1 20 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.110 0.012 18080 3762 1 20 . 1 1 22 22 LEU CA C 22 55.894 55.894 58.067 -2.173 18080 3763 1 20 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.550 -1.842 18080 3764 1 20 . 1 1 22 22 LEU H H 22 8.310 8.310 8.449 -0.139 18080 3765 1 20 . 1 1 23 23 MET N N 23 117.191 117.191 118.431 -1.240 18080 3766 1 20 . 1 1 23 23 MET HA H 23 4.167 4.167 4.159 0.008 18080 3767 1 20 . 1 1 23 23 MET CA C 23 56.961 56.961 58.223 -1.262 18080 3768 1 20 . 1 1 23 23 MET CB C 23 30.421 30.421 31.654 -1.233 18080 3769 1 20 . 1 1 23 23 MET H H 23 8.263 8.263 8.159 0.104 18080 3770 1 20 . 1 1 24 24 VAL N N 24 117.660 117.660 117.985 -0.325 18080 3771 1 20 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.705 -0.104 18080 3772 1 20 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.755 -2.074 18080 3773 1 20 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.419 -1.552 18080 3774 1 20 . 1 1 24 24 VAL H H 24 8.682 8.682 8.744 -0.062 18080 3775 1 20 . 1 1 25 25 GLY N N 25 106.038 106.038 107.612 -1.574 18080 3776 1 20 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.109 -2.046 18080 3777 1 20 . 1 1 25 25 GLY H H 25 8.774 8.774 8.257 0.517 18080 3778 1 20 . 1 1 26 26 GLY N N 26 108.191 108.191 110.346 -2.155 18080 3779 1 20 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.827 -1.859 18080 3780 1 20 . 1 1 26 26 GLY H H 26 8.806 8.806 8.038 0.768 18080 3781 1 20 . 1 1 27 27 VAL N N 27 120.729 120.729 122.742 -2.013 18080 3782 1 20 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.600 0.097 18080 3783 1 20 . 1 1 27 27 VAL CA C 27 64.557 64.557 66.871 -2.314 18080 3784 1 20 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.654 -2.818 18080 3785 1 20 . 1 1 27 27 VAL H H 27 8.280 8.280 8.085 0.195 18080 3786 1 20 . 1 1 28 28 VAL N N 28 122.275 122.275 120.158 2.117 18080 3787 1 20 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.539 0.024 18080 3788 1 20 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.904 -1.624 18080 3789 1 20 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.649 -2.811 18080 3790 1 20 . 1 1 28 28 VAL H H 28 8.577 8.577 7.711 0.866 18080 3791 1 20 . 1 1 29 29 ILE N N 29 118.627 118.627 119.214 -0.587 18080 3792 1 20 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.558 0.103 18080 3793 1 20 . 1 1 29 29 ILE CA C 29 63.131 63.131 65.350 -2.219 18080 3794 1 20 . 1 1 29 29 ILE CB C 29 34.769 34.769 37.449 -2.680 18080 3795 1 20 . 1 1 29 29 ILE H H 29 8.527 8.527 8.143 0.384 18080 3796 1 20 . 1 1 30 30 ALA N N 30 120.541 120.541 121.788 -1.247 18080 3797 1 20 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.894 0.079 18080 3798 1 20 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.567 -2.185 18080 3799 1 20 . 1 1 30 30 ALA CB C 30 15.554 15.554 17.955 -2.401 18080 3800 1 20 . 1 1 30 30 ALA H H 30 8.645 8.645 8.040 0.605 18080 3801 1 20 . 1 1 31 31 THR N N 31 113.932 113.932 116.193 -2.261 18080 3802 1 20 . 1 1 31 31 THR HA H 31 3.775 3.775 3.857 -0.082 18080 3803 1 20 . 1 1 31 31 THR CA C 31 66.027 66.027 67.615 -1.587 18080 3804 1 20 . 1 1 31 31 THR CB C 31 65.255 65.255 68.665 -3.410 18080 3805 1 20 . 1 1 31 31 THR H H 31 8.238 8.238 8.257 -0.019 18080 3806 1 20 . 1 1 32 32 VAL N N 32 120.206 120.206 121.274 -1.068 18080 3807 1 20 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.643 -0.034 18080 3808 1 20 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.667 -1.998 18080 3809 1 20 . 1 1 32 32 VAL CB C 32 28.895 28.895 30.860 -1.965 18080 3810 1 20 . 1 1 32 32 VAL H H 32 8.324 8.324 8.057 0.267 18080 3811 1 20 . 1 1 33 33 ILE N N 33 121.976 121.976 120.715 1.261 18080 3812 1 20 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.844 -0.187 18080 3813 1 20 . 1 1 33 33 ILE CA C 33 63.841 63.841 63.775 0.066 18080 3814 1 20 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.474 -1.559 18080 3815 1 20 . 1 1 33 33 ILE H H 33 8.520 8.520 8.129 0.391 18080 3816 1 20 . 1 1 34 34 VAL N N 34 119.099 119.099 120.787 -1.688 18080 3817 1 20 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.588 0.050 18080 3818 1 20 . 1 1 34 34 VAL CA C 34 65.678 65.678 67.242 -1.564 18080 3819 1 20 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.665 -2.849 18080 3820 1 20 . 1 1 34 34 VAL H H 34 8.539 8.539 8.197 0.342 18080 3821 1 20 . 1 1 35 35 ILE N N 35 117.727 117.727 119.727 -2.000 18080 3822 1 20 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.724 -0.058 18080 3823 1 20 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.247 -0.911 18080 3824 1 20 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.482 -1.422 18080 3825 1 20 . 1 1 35 35 ILE H H 35 8.690 8.690 8.584 0.106 18080 3826 1 20 . 1 1 36 36 THR N N 36 116.743 116.743 115.574 1.169 18080 3827 1 20 . 1 1 36 36 THR HA H 36 3.776 3.776 4.010 -0.234 18080 3828 1 20 . 1 1 36 36 THR CA C 36 66.196 66.196 66.058 0.138 18080 3829 1 20 . 1 1 36 36 THR CB C 36 65.191 65.191 68.668 -3.477 18080 3830 1 20 . 1 1 36 36 THR H H 36 8.267 8.267 8.267 -0.000 18080 3831 1 20 . 1 1 37 37 LEU N N 37 120.103 120.103 122.710 -2.607 18080 3832 1 20 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.059 0.063 18080 3833 1 20 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.926 -1.857 18080 3834 1 20 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.623 -1.948 18080 3835 1 20 . 1 1 37 37 LEU H H 37 8.439 8.439 8.253 0.186 18080 3836 1 20 . 1 1 38 38 VAL N N 38 117.700 117.700 118.900 -1.200 18080 3837 1 20 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.548 0.174 18080 3838 1 20 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.688 -2.421 18080 3839 1 20 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.862 -2.920 18080 3840 1 20 . 1 1 38 38 VAL H H 38 8.470 8.470 8.232 0.238 18080 3841 1 20 . 1 1 39 39 MET N N 39 117.431 117.431 118.382 -0.951 18080 3842 1 20 . 1 1 39 39 MET HA H 39 4.351 4.351 4.023 0.328 18080 3843 1 20 . 1 1 39 39 MET CA C 39 55.609 55.609 58.221 -2.612 18080 3844 1 20 . 1 1 39 39 MET CB C 39 29.560 29.560 32.179 -2.619 18080 3845 1 20 . 1 1 39 39 MET H H 39 8.513 8.513 8.200 0.313 18080 3846 1 20 . 1 1 40 40 LEU N N 40 117.760 117.760 120.150 -2.390 18080 3847 1 20 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.064 0.265 18080 3848 1 20 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.569 -3.260 18080 3849 1 20 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.930 -2.236 18080 3850 1 20 . 1 1 40 40 LEU H H 40 8.399 8.399 8.147 0.252 18080 3851 1 20 . 1 1 41 41 LYS N N 41 117.042 117.042 118.381 -1.339 18080 3852 1 20 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.061 0.282 18080 3853 1 20 . 1 1 41 41 LYS CA C 41 54.375 54.375 58.647 -4.272 18080 3854 1 20 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.755 -2.606 18080 3855 1 20 . 1 1 41 41 LYS H H 41 7.928 7.928 7.568 0.360 18080 3856 1 20 . 1 1 42 42 LYS N N 42 119.285 119.285 113.414 5.871 18080 3857 1 20 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.451 -0.040 18080 3858 1 20 . 1 1 42 42 LYS CA C 42 53.997 53.997 56.344 -2.347 18080 3859 1 20 . 1 1 42 42 LYS CB C 42 30.417 30.417 34.600 -4.184 18080 3860 1 20 . 1 1 42 42 LYS H H 42 8.056 8.056 7.805 0.251 18080 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 41 2.116 0.711 2.017 18080 2 1 1 "Average Difference" HA 46 0.270 -0.144 0.230 18080 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18080 4 1 1 "Average Difference" CA 41 2.515 2.296 1.039 18080 5 1 1 "Average Difference" CB 34 2.295 2.128 0.872 18080 6 1 1 "Average Difference" HN 41 0.417 -0.264 0.326 18080 7 1 2 "Average Difference" N 41 1.866 1.045 1.566 18080 8 1 2 "Average Difference" HA 46 0.188 -0.075 0.174 18080 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18080 10 1 2 "Average Difference" CA 41 2.498 2.266 1.063 18080 11 1 2 "Average Difference" CB 34 2.482 2.397 0.654 18080 12 1 2 "Average Difference" HN 41 0.443 -0.311 0.319 18080 13 1 3 "Average Difference" N 41 1.839 0.594 1.762 18080 14 1 3 "Average Difference" HA 46 0.191 -0.090 0.171 18080 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18080 16 1 3 "Average Difference" CA 41 2.520 2.265 1.119 18080 17 1 3 "Average Difference" CB 34 2.679 2.622 0.559 18080 18 1 3 "Average Difference" HN 41 0.438 -0.304 0.319 18080 19 1 4 "Average Difference" N 41 1.928 0.888 1.732 18080 20 1 4 "Average Difference" HA 46 0.164 -0.046 0.159 18080 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18080 22 1 4 "Average Difference" CA 41 2.558 2.297 1.141 18080 23 1 4 "Average Difference" CB 34 2.429 2.339 0.665 18080 24 1 4 "Average Difference" HN 41 0.366 -0.233 0.286 18080 25 1 5 "Average Difference" N 41 2.066 1.038 1.808 18080 26 1 5 "Average Difference" HA 46 0.180 -0.063 0.171 18080 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18080 28 1 5 "Average Difference" CA 41 2.381 2.119 1.099 18080 29 1 5 "Average Difference" CB 34 2.489 2.358 0.808 18080 30 1 5 "Average Difference" HN 41 0.402 -0.220 0.341 18080 31 1 6 "Average Difference" N 41 1.965 0.822 1.806 18080 32 1 6 "Average Difference" HA 46 0.185 -0.044 0.182 18080 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18080 34 1 6 "Average Difference" CA 41 2.684 2.314 1.376 18080 35 1 6 "Average Difference" CB 34 2.339 2.261 0.609 18080 36 1 6 "Average Difference" HN 41 0.407 -0.267 0.311 18080 37 1 7 "Average Difference" N 41 1.708 0.901 1.469 18080 38 1 7 "Average Difference" HA 46 0.192 -0.063 0.183 18080 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18080 40 1 7 "Average Difference" CA 41 2.497 2.168 1.254 18080 41 1 7 "Average Difference" CB 34 2.519 2.442 0.628 18080 42 1 7 "Average Difference" HN 41 0.363 -0.215 0.296 18080 43 1 8 "Average Difference" N 41 1.673 0.696 1.541 18080 44 1 8 "Average Difference" HA 46 0.196 -0.116 0.159 18080 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18080 46 1 8 "Average Difference" CA 41 2.597 2.383 1.045 18080 47 1 8 "Average Difference" CB 34 2.430 2.366 0.559 18080 48 1 8 "Average Difference" HN 41 0.382 -0.262 0.281 18080 49 1 9 "Average Difference" N 41 1.768 1.119 1.386 18080 50 1 9 "Average Difference" HA 46 0.216 -0.071 0.206 18080 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18080 52 1 9 "Average Difference" CA 41 2.446 2.223 1.034 18080 53 1 9 "Average Difference" CB 34 2.512 2.398 0.758 18080 54 1 9 "Average Difference" HN 41 0.379 -0.220 0.312 18080 55 1 10 "Average Difference" N 41 1.742 0.602 1.655 18080 56 1 10 "Average Difference" HA 46 0.202 -0.096 0.180 18080 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18080 58 1 10 "Average Difference" CA 41 2.439 2.183 1.100 18080 59 1 10 "Average Difference" CB 34 2.363 2.220 0.822 18080 60 1 10 "Average Difference" HN 41 0.345 -0.205 0.281 18080 61 1 11 "Average Difference" N 41 2.193 0.824 2.058 18080 62 1 11 "Average Difference" HA 46 0.205 -0.038 0.204 18080 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18080 64 1 11 "Average Difference" CA 41 2.544 2.228 1.243 18080 65 1 11 "Average Difference" CB 34 2.407 2.329 0.619 18080 66 1 11 "Average Difference" HN 41 0.405 -0.237 0.333 18080 67 1 12 "Average Difference" N 41 2.172 0.737 2.069 18080 68 1 12 "Average Difference" HA 46 0.177 -0.079 0.160 18080 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18080 70 1 12 "Average Difference" CA 41 2.550 2.229 1.254 18080 71 1 12 "Average Difference" CB 34 2.363 2.250 0.733 18080 72 1 12 "Average Difference" HN 41 0.345 -0.222 0.268 18080 73 1 13 "Average Difference" N 41 1.725 0.735 1.581 18080 74 1 13 "Average Difference" HA 46 0.210 -0.086 0.193 18080 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18080 76 1 13 "Average Difference" CA 41 2.477 2.284 0.970 18080 77 1 13 "Average Difference" CB 34 2.405 2.261 0.832 18080 78 1 13 "Average Difference" HN 41 0.352 -0.217 0.280 18080 79 1 14 "Average Difference" N 41 1.970 0.769 1.836 18080 80 1 14 "Average Difference" HA 46 0.202 -0.068 0.192 18080 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18080 82 1 14 "Average Difference" CA 41 2.368 2.092 1.122 18080 83 1 14 "Average Difference" CB 34 2.484 2.364 0.775 18080 84 1 14 "Average Difference" HN 41 0.389 -0.217 0.327 18080 85 1 15 "Average Difference" N 41 2.052 0.917 1.858 18080 86 1 15 "Average Difference" HA 46 0.189 -0.064 0.180 18080 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18080 88 1 15 "Average Difference" CA 41 2.500 2.259 1.085 18080 89 1 15 "Average Difference" CB 34 2.452 2.364 0.660 18080 90 1 15 "Average Difference" HN 41 0.382 -0.196 0.332 18080 91 1 16 "Average Difference" N 41 1.909 0.930 1.687 18080 92 1 16 "Average Difference" HA 46 0.174 -0.069 0.161 18080 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18080 94 1 16 "Average Difference" CA 41 2.460 2.217 1.079 18080 95 1 16 "Average Difference" CB 34 2.339 2.251 0.643 18080 96 1 16 "Average Difference" HN 41 0.383 -0.258 0.287 18080 97 1 17 "Average Difference" N 41 1.868 1.169 1.475 18080 98 1 17 "Average Difference" HA 46 0.177 -0.060 0.168 18080 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18080 100 1 17 "Average Difference" CA 41 2.468 2.158 1.213 18080 101 1 17 "Average Difference" CB 34 2.390 2.322 0.572 18080 102 1 17 "Average Difference" HN 41 0.408 -0.269 0.310 18080 103 1 18 "Average Difference" N 41 1.850 0.868 1.654 18080 104 1 18 "Average Difference" HA 46 0.191 -0.098 0.165 18080 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18080 106 1 18 "Average Difference" CA 41 2.536 2.318 1.041 18080 107 1 18 "Average Difference" CB 34 2.412 2.343 0.584 18080 108 1 18 "Average Difference" HN 41 0.362 -0.243 0.272 18080 109 1 19 "Average Difference" N 41 2.065 0.925 1.869 18080 110 1 19 "Average Difference" HA 46 0.181 -0.076 0.166 18080 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18080 112 1 19 "Average Difference" CA 41 2.597 2.379 1.057 18080 113 1 19 "Average Difference" CB 34 2.495 2.421 0.615 18080 114 1 19 "Average Difference" HN 41 0.403 -0.269 0.304 18080 115 1 20 "Average Difference" N 41 2.215 0.620 2.152 18080 116 1 20 "Average Difference" HA 46 0.208 -0.108 0.180 18080 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18080 118 1 20 "Average Difference" CA 41 2.606 2.376 1.084 18080 119 1 20 "Average Difference" CB 34 2.488 2.361 0.797 18080 120 1 20 "Average Difference" HN 41 0.349 -0.213 0.280 18080 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 18080 _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 N N 2 116.055 116.055 116.167 -0.112 18080 2 1 . 1 1 2 2 SER HA H 2 4.722 4.722 4.559 0.163 18080 3 1 . 1 1 2 2 SER CA C 2 56.168 56.168 58.476 -2.308 18080 4 1 . 1 1 2 2 SER H H 2 8.902 8.902 8.323 0.579 18080 5 1 . 1 1 3 3 GLN N N 3 123.740 123.740 120.912 2.828 18080 6 1 . 1 1 3 3 GLN HA H 3 4.329 4.329 4.465 -0.136 18080 7 1 . 1 1 3 3 GLN CA C 3 54.674 54.674 56.003 -1.329 18080 8 1 . 1 1 3 3 GLN CB C 3 26.279 26.279 28.949 -2.670 18080 9 1 . 1 1 3 3 GLN H H 3 8.817 8.817 8.476 0.341 18080 10 1 . 1 1 4 4 LYS N N 4 120.182 120.182 119.431 0.751 18080 11 1 . 1 1 4 4 LYS HA H 4 4.286 4.286 4.407 -0.121 18080 12 1 . 1 1 4 4 LYS CA C 4 55.656 55.656 57.033 -1.377 18080 13 1 . 1 1 4 4 LYS CB C 4 30.427 30.427 32.911 -2.484 18080 14 1 . 1 1 4 4 LYS H H 4 8.442 8.442 8.166 0.276 18080 15 1 . 1 1 5 5 LEU N N 5 119.225 119.225 121.746 -2.521 18080 16 1 . 1 1 5 5 LEU HA H 5 4.333 4.333 4.344 -0.011 18080 17 1 . 1 1 5 5 LEU CA C 5 54.479 54.479 57.325 -2.846 18080 18 1 . 1 1 5 5 LEU CB C 5 39.457 39.457 41.790 -2.333 18080 19 1 . 1 1 5 5 LEU H H 5 8.181 8.181 8.085 0.096 18080 20 1 . 1 1 6 6 VAL N N 6 118.118 118.118 118.802 -0.684 18080 21 1 . 1 1 6 6 VAL HA H 6 3.859 3.859 3.660 0.199 18080 22 1 . 1 1 6 6 VAL CA C 6 62.483 62.483 66.413 -3.930 18080 23 1 . 1 1 6 6 VAL CB C 6 29.618 29.618 31.252 -1.634 18080 24 1 . 1 1 6 6 VAL H H 6 7.749 7.749 8.039 -0.290 18080 25 1 . 1 1 7 7 PHE N N 7 119.494 119.494 119.876 -0.382 18080 26 1 . 1 1 7 7 PHE HA H 7 4.511 4.511 4.117 0.394 18080 27 1 . 1 1 7 7 PHE CA C 7 57.016 57.016 61.660 -4.644 18080 28 1 . 1 1 7 7 PHE CB C 7 36.183 36.183 38.700 -2.517 18080 29 1 . 1 1 7 7 PHE H H 7 7.989 7.989 7.949 0.040 18080 30 1 . 1 1 8 8 PHE N N 8 118.388 118.388 118.968 -0.580 18080 31 1 . 1 1 8 8 PHE HA H 8 4.445 4.445 4.091 0.354 18080 32 1 . 1 1 8 8 PHE CA C 8 57.437 57.437 61.206 -3.769 18080 33 1 . 1 1 8 8 PHE CB C 8 36.634 36.634 38.600 -1.966 18080 34 1 . 1 1 8 8 PHE H H 8 8.031 8.031 7.803 0.229 18080 35 1 . 1 1 9 9 ALA N N 9 120.899 120.899 121.982 -1.083 18080 36 1 . 1 1 9 9 ALA HA H 9 4.066 4.066 3.968 0.098 18080 37 1 . 1 1 9 9 ALA CA C 9 52.027 52.027 55.196 -3.169 18080 38 1 . 1 1 9 9 ALA CB C 9 16.190 16.190 18.124 -1.934 18080 39 1 . 1 1 9 9 ALA H H 9 8.246 8.246 8.418 -0.172 18080 40 1 . 1 1 10 10 GLU N N 10 115.098 115.098 117.117 -2.019 18080 41 1 . 1 1 10 10 GLU HA H 10 4.239 4.239 4.095 0.144 18080 42 1 . 1 1 10 10 GLU CA C 10 55.032 55.032 58.258 -3.226 18080 43 1 . 1 1 10 10 GLU CB C 10 26.033 26.033 29.662 -3.629 18080 44 1 . 1 1 10 10 GLU H H 10 8.167 8.167 8.069 0.098 18080 45 1 . 1 1 11 11 ASP N N 11 118.059 118.059 119.023 -0.964 18080 46 1 . 1 1 11 11 ASP HA H 11 4.711 4.711 4.388 0.323 18080 47 1 . 1 1 11 11 ASP CA C 11 52.033 52.033 56.217 -4.184 18080 48 1 . 1 1 11 11 ASP H H 11 8.174 8.174 7.964 0.210 18080 49 1 . 1 1 12 12 VAL N N 12 116.474 116.474 116.463 0.011 18080 50 1 . 1 1 12 12 VAL HA H 12 4.059 4.059 3.922 0.137 18080 51 1 . 1 1 12 12 VAL CA C 12 61.057 61.057 62.771 -1.714 18080 52 1 . 1 1 12 12 VAL CB C 12 29.513 29.513 31.485 -1.972 18080 53 1 . 1 1 12 12 VAL H H 12 7.846 7.846 7.803 0.043 18080 54 1 . 1 1 13 13 GLY N N 13 107.383 107.383 108.460 -1.077 18080 55 1 . 1 1 13 13 GLY CA C 13 43.545 43.545 44.950 -1.405 18080 56 1 . 1 1 13 13 GLY H H 13 8.163 8.163 7.625 0.538 18080 57 1 . 1 1 14 14 SER N N 14 113.723 113.723 116.089 -2.366 18080 58 1 . 1 1 14 14 SER HA H 14 4.567 4.567 4.435 0.132 18080 59 1 . 1 1 14 14 SER CA C 14 56.065 56.065 58.577 -2.512 18080 60 1 . 1 1 14 14 SER CB C 14 61.566 61.566 63.603 -2.037 18080 61 1 . 1 1 14 14 SER H H 14 8.031 8.031 8.284 -0.253 18080 62 1 . 1 1 15 15 ASN N N 15 120.384 120.384 119.826 0.558 18080 63 1 . 1 1 15 15 ASN HA H 15 4.889 4.889 4.735 0.154 18080 64 1 . 1 1 15 15 ASN CA C 15 51.205 51.205 53.664 -2.459 18080 65 1 . 1 1 15 15 ASN CB C 15 36.680 36.680 38.835 -2.155 18080 66 1 . 1 1 15 15 ASN H H 15 8.334 8.334 8.332 0.002 18080 67 1 . 1 1 16 16 LYS N N 16 121.348 121.348 120.891 0.457 18080 68 1 . 1 1 16 16 LYS HA H 16 4.159 4.159 4.198 -0.039 18080 69 1 . 1 1 16 16 LYS CA C 16 56.438 56.438 58.034 -1.596 18080 70 1 . 1 1 16 16 LYS CB C 16 30.170 30.170 32.365 -2.195 18080 71 1 . 1 1 16 16 LYS H H 16 8.610 8.610 8.202 0.408 18080 72 1 . 1 1 17 17 GLY N N 17 106.755 106.755 107.728 -0.973 18080 73 1 . 1 1 17 17 GLY CA C 17 44.775 44.775 46.857 -2.082 18080 74 1 . 1 1 17 17 GLY H H 17 8.620 8.620 8.493 0.127 18080 75 1 . 1 1 18 18 ALA N N 18 122.574 122.574 124.739 -2.165 18080 76 1 . 1 1 18 18 ALA HA H 18 4.200 4.200 4.031 0.169 18080 77 1 . 1 1 18 18 ALA CA C 18 52.412 52.412 54.997 -2.585 18080 78 1 . 1 1 18 18 ALA CB C 18 16.212 16.212 18.394 -2.182 18080 79 1 . 1 1 18 18 ALA H H 18 8.099 8.099 8.038 0.061 18080 80 1 . 1 1 19 19 ILE N N 19 116.264 116.264 119.160 -2.896 18080 81 1 . 1 1 19 19 ILE HA H 19 3.898 3.898 3.628 0.270 18080 82 1 . 1 1 19 19 ILE CA C 19 61.770 61.770 64.567 -2.797 18080 83 1 . 1 1 19 19 ILE CB C 19 35.134 35.134 37.335 -2.201 18080 84 1 . 1 1 19 19 ILE H H 19 7.899 7.899 7.624 0.275 18080 85 1 . 1 1 20 20 ILE N N 20 119.344 119.344 119.762 -0.418 18080 86 1 . 1 1 20 20 ILE HA H 20 3.839 3.839 3.602 0.237 18080 87 1 . 1 1 20 20 ILE CA C 20 62.615 62.615 66.024 -3.409 18080 88 1 . 1 1 20 20 ILE CB C 20 34.972 34.972 37.415 -2.443 18080 89 1 . 1 1 20 20 ILE H H 20 8.210 8.210 7.587 0.623 18080 90 1 . 1 1 21 21 GLY N N 21 106.546 106.546 107.441 -0.895 18080 91 1 . 1 1 21 21 GLY CA C 21 45.299 45.299 47.013 -1.714 18080 92 1 . 1 1 21 21 GLY H H 21 8.531 8.531 8.238 0.293 18080 93 1 . 1 1 22 22 LEU N N 22 120.869 120.869 123.430 -2.561 18080 94 1 . 1 1 22 22 LEU HA H 22 4.122 4.122 4.080 0.042 18080 95 1 . 1 1 22 22 LEU CA C 22 55.894 55.894 57.933 -2.039 18080 96 1 . 1 1 22 22 LEU CB C 22 39.708 39.708 41.743 -2.035 18080 97 1 . 1 1 22 22 LEU H H 22 8.310 8.310 8.366 -0.056 18080 98 1 . 1 1 23 23 MET N N 23 117.191 117.191 118.357 -1.166 18080 99 1 . 1 1 23 23 MET HA H 23 4.167 4.167 4.122 0.045 18080 100 1 . 1 1 23 23 MET CA C 23 56.961 56.961 58.831 -1.870 18080 101 1 . 1 1 23 23 MET CB C 23 30.421 30.421 32.096 -1.675 18080 102 1 . 1 1 23 23 MET H H 23 8.263 8.263 8.110 0.153 18080 103 1 . 1 1 24 24 VAL N N 24 117.660 117.660 118.121 -0.461 18080 104 1 . 1 1 24 24 VAL HA H 24 3.601 3.601 3.656 -0.055 18080 105 1 . 1 1 24 24 VAL CA C 24 64.681 64.681 66.747 -2.066 18080 106 1 . 1 1 24 24 VAL CB C 24 28.867 28.867 30.833 -1.966 18080 107 1 . 1 1 24 24 VAL H H 24 8.682 8.682 8.702 -0.020 18080 108 1 . 1 1 25 25 GLY N N 25 106.038 106.038 107.409 -1.371 18080 109 1 . 1 1 25 25 GLY CA C 25 45.063 45.063 47.074 -2.011 18080 110 1 . 1 1 25 25 GLY H H 25 8.774 8.774 8.209 0.565 18080 111 1 . 1 1 26 26 GLY N N 26 108.191 108.191 110.339 -2.148 18080 112 1 . 1 1 26 26 GLY CA C 26 44.968 44.968 46.879 -1.911 18080 113 1 . 1 1 26 26 GLY H H 26 8.806 8.806 8.067 0.739 18080 114 1 . 1 1 27 27 VAL N N 27 120.729 120.729 122.722 -1.993 18080 115 1 . 1 1 27 27 VAL HA H 27 3.697 3.697 3.663 0.034 18080 116 1 . 1 1 27 27 VAL CA C 27 64.557 64.557 66.478 -1.921 18080 117 1 . 1 1 27 27 VAL CB C 27 28.836 28.836 31.483 -2.647 18080 118 1 . 1 1 27 27 VAL H H 27 8.280 8.280 8.085 0.195 18080 119 1 . 1 1 28 28 VAL N N 28 122.275 122.275 120.280 1.995 18080 120 1 . 1 1 28 28 VAL HA H 28 3.563 3.563 3.619 -0.056 18080 121 1 . 1 1 28 28 VAL CA C 28 65.280 65.280 66.733 -1.453 18080 122 1 . 1 1 28 28 VAL CB C 28 28.839 28.839 31.299 -2.460 18080 123 1 . 1 1 28 28 VAL H H 28 8.577 8.577 7.766 0.811 18080 124 1 . 1 1 29 29 ILE N N 29 118.627 118.627 119.469 -0.842 18080 125 1 . 1 1 29 29 ILE HA H 29 3.661 3.661 3.608 0.053 18080 126 1 . 1 1 29 29 ILE CA C 29 63.131 63.131 64.782 -1.651 18080 127 1 . 1 1 29 29 ILE CB C 29 34.769 34.769 36.799 -2.030 18080 128 1 . 1 1 29 29 ILE H H 29 8.527 8.527 8.220 0.307 18080 129 1 . 1 1 30 30 ALA N N 30 120.541 120.541 121.904 -1.363 18080 130 1 . 1 1 30 30 ALA HA H 30 3.973 3.973 3.908 0.065 18080 131 1 . 1 1 30 30 ALA CA C 30 53.382 53.382 55.583 -2.201 18080 132 1 . 1 1 30 30 ALA CB C 30 15.554 15.554 18.054 -2.500 18080 133 1 . 1 1 30 30 ALA H H 30 8.645 8.645 8.109 0.536 18080 134 1 . 1 1 31 31 THR N N 31 113.932 113.932 115.640 -1.708 18080 135 1 . 1 1 31 31 THR HA H 31 3.775 3.775 3.886 -0.112 18080 136 1 . 1 1 31 31 THR CA C 31 66.027 66.027 66.885 -0.858 18080 137 1 . 1 1 31 31 THR CB C 31 65.255 65.255 68.491 -3.236 18080 138 1 . 1 1 31 31 THR H H 31 8.238 8.238 8.222 0.016 18080 139 1 . 1 1 32 32 VAL N N 32 120.206 120.206 121.657 -1.451 18080 140 1 . 1 1 32 32 VAL HA H 32 3.609 3.609 3.608 0.001 18080 141 1 . 1 1 32 32 VAL CA C 32 64.669 64.669 66.812 -2.143 18080 142 1 . 1 1 32 32 VAL CB C 32 28.895 28.895 31.230 -2.335 18080 143 1 . 1 1 32 32 VAL H H 32 8.324 8.324 8.034 0.290 18080 144 1 . 1 1 33 33 ILE N N 33 121.976 121.976 119.957 2.019 18080 145 1 . 1 1 33 33 ILE HA H 33 3.657 3.657 3.819 -0.162 18080 146 1 . 1 1 33 33 ILE CA C 33 63.841 63.841 64.243 -0.402 18080 147 1 . 1 1 33 33 ILE CB C 33 34.915 34.915 36.794 -1.879 18080 148 1 . 1 1 33 33 ILE H H 33 8.520 8.520 8.081 0.439 18080 149 1 . 1 1 34 34 VAL N N 34 119.099 119.099 120.657 -1.559 18080 150 1 . 1 1 34 34 VAL HA H 34 3.638 3.638 3.637 0.001 18080 151 1 . 1 1 34 34 VAL CA C 34 65.678 65.678 66.993 -1.315 18080 152 1 . 1 1 34 34 VAL CB C 34 28.816 28.816 31.205 -2.389 18080 153 1 . 1 1 34 34 VAL H H 34 8.539 8.539 8.100 0.439 18080 154 1 . 1 1 35 35 ILE N N 35 117.727 117.727 119.679 -1.952 18080 155 1 . 1 1 35 35 ILE HA H 35 3.666 3.666 3.665 0.001 18080 156 1 . 1 1 35 35 ILE CA C 35 63.336 63.336 64.992 -1.656 18080 157 1 . 1 1 35 35 ILE CB C 35 35.060 35.060 36.988 -1.928 18080 158 1 . 1 1 35 35 ILE H H 35 8.690 8.690 8.489 0.201 18080 159 1 . 1 1 36 36 THR N N 36 116.743 116.743 115.137 1.606 18080 160 1 . 1 1 36 36 THR HA H 36 3.776 3.776 3.968 -0.192 18080 161 1 . 1 1 36 36 THR CA C 36 66.196 66.196 65.891 0.305 18080 162 1 . 1 1 36 36 THR CB C 36 65.191 65.191 68.723 -3.532 18080 163 1 . 1 1 36 36 THR H H 36 8.267 8.267 8.212 0.055 18080 164 1 . 1 1 37 37 LEU N N 37 120.103 120.103 122.849 -2.746 18080 165 1 . 1 1 37 37 LEU HA H 37 4.122 4.122 4.027 0.095 18080 166 1 . 1 1 37 37 LEU CA C 37 56.069 56.069 57.885 -1.816 18080 167 1 . 1 1 37 37 LEU CB C 37 39.675 39.675 41.577 -1.902 18080 168 1 . 1 1 37 37 LEU H H 37 8.439 8.439 8.094 0.345 18080 169 1 . 1 1 38 38 VAL N N 38 117.700 117.700 118.766 -1.066 18080 170 1 . 1 1 38 38 VAL HA H 38 3.722 3.722 3.557 0.165 18080 171 1 . 1 1 38 38 VAL CA C 38 64.267 64.267 66.774 -2.507 18080 172 1 . 1 1 38 38 VAL CB C 38 28.942 28.942 31.602 -2.660 18080 173 1 . 1 1 38 38 VAL H H 38 8.470 8.470 8.220 0.250 18080 174 1 . 1 1 39 39 MET N N 39 117.431 117.431 117.626 -0.195 18080 175 1 . 1 1 39 39 MET HA H 39 4.351 4.351 4.197 0.154 18080 176 1 . 1 1 39 39 MET CA C 39 55.609 55.609 58.427 -2.818 18080 177 1 . 1 1 39 39 MET CB C 39 29.560 29.560 32.411 -2.851 18080 178 1 . 1 1 39 39 MET H H 39 8.513 8.513 8.083 0.430 18080 179 1 . 1 1 40 40 LEU N N 40 117.760 117.760 120.105 -2.345 18080 180 1 . 1 1 40 40 LEU HA H 40 4.329 4.329 4.073 0.256 18080 181 1 . 1 1 40 40 LEU CA C 40 54.309 54.309 57.418 -3.109 18080 182 1 . 1 1 40 40 LEU CB C 40 39.694 39.694 41.821 -2.127 18080 183 1 . 1 1 40 40 LEU H H 40 8.399 8.399 8.150 0.249 18080 184 1 . 1 1 41 41 LYS N N 41 117.042 117.042 117.633 -0.591 18080 185 1 . 1 1 41 41 LYS HA H 41 4.343 4.343 4.136 0.207 18080 186 1 . 1 1 41 41 LYS CA C 41 54.375 54.375 57.704 -3.329 18080 187 1 . 1 1 41 41 LYS CB C 41 30.149 30.149 32.744 -2.595 18080 188 1 . 1 1 41 41 LYS H H 41 7.928 7.928 7.654 0.274 18080 189 1 . 1 1 42 42 LYS N N 42 119.285 119.285 119.521 -0.235 18080 190 1 . 1 1 42 42 LYS HA H 42 4.411 4.411 4.272 0.139 18080 191 1 . 1 1 42 42 LYS CA C 42 53.997 53.997 56.532 -2.535 18080 192 1 . 1 1 42 42 LYS CB C 42 30.417 30.417 32.873 -2.456 18080 193 1 . 1 1 42 42 LYS H H 42 8.056 8.056 7.867 0.189 18080 stop_ save_