data_19532 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19532 _Entry.PDB_ID 2MEU 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 19532 _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 LYS N N 2 121.755 121.755 124.662 -2.907 19532 2 1 1 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.185 -0.214 19532 3 1 1 . 1 1 2 2 LYS C C 2 176.772 176.772 178.035 -1.263 19532 4 1 1 . 1 1 2 2 LYS CA C 2 59.061 59.061 57.907 1.153 19532 5 1 1 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.666 -0.957 19532 6 1 1 . 1 1 2 2 LYS H H 2 8.561 8.561 8.693 -0.132 19532 7 1 1 . 1 1 3 3 THR N N 3 113.102 113.102 115.762 -2.660 19532 8 1 1 . 1 1 3 3 THR HA H 3 3.992 3.992 3.889 0.103 19532 9 1 1 . 1 1 3 3 THR C C 3 174.816 174.816 176.471 -1.655 19532 10 1 1 . 1 1 3 3 THR CA C 3 64.722 64.722 67.089 -2.367 19532 11 1 1 . 1 1 3 3 THR CB C 3 68.109 68.109 68.366 -0.257 19532 12 1 1 . 1 1 3 3 THR H H 3 8.021 8.021 8.270 -0.249 19532 13 1 1 . 1 1 4 4 ASN N N 4 118.987 118.987 119.295 -0.308 19532 14 1 1 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.425 0.084 19532 15 1 1 . 1 1 4 4 ASN C C 4 176.357 176.357 177.509 -1.152 19532 16 1 1 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.044 -0.899 19532 17 1 1 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.069 -0.619 19532 18 1 1 . 1 1 4 4 ASN H H 4 7.658 7.658 7.851 -0.193 19532 19 1 1 . 1 1 5 5 LEU N N 5 118.509 118.509 120.281 -1.772 19532 20 1 1 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.863 0.173 19532 21 1 1 . 1 1 5 5 LEU C C 5 177.875 177.875 178.776 -0.901 19532 22 1 1 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.384 -0.982 19532 23 1 1 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.402 -0.302 19532 24 1 1 . 1 1 5 5 LEU H H 5 7.795 7.795 7.889 -0.094 19532 25 1 1 . 1 1 6 6 GLU N N 6 116.513 116.513 118.652 -2.139 19532 26 1 1 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.895 -0.067 19532 27 1 1 . 1 1 6 6 GLU C C 6 176.892 176.892 179.568 -2.676 19532 28 1 1 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.691 -0.478 19532 29 1 1 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.337 -2.272 19532 30 1 1 . 1 1 6 6 GLU H H 6 8.053 8.053 8.194 -0.141 19532 31 1 1 . 1 1 7 7 ILE N N 7 118.435 118.435 119.798 -1.363 19532 32 1 1 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.828 -0.154 19532 33 1 1 . 1 1 7 7 ILE C C 7 176.630 176.630 177.840 -1.210 19532 34 1 1 . 1 1 7 7 ILE CA C 7 64.697 64.697 65.122 -0.425 19532 35 1 1 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.145 -1.333 19532 36 1 1 . 1 1 7 7 ILE H H 7 7.854 7.854 7.868 -0.014 19532 37 1 1 . 1 1 8 8 ILE N N 8 119.327 119.327 121.422 -2.095 19532 38 1 1 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.580 -0.059 19532 39 1 1 . 1 1 8 8 ILE C C 8 176.772 176.772 178.250 -1.478 19532 40 1 1 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.974 -0.645 19532 41 1 1 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.684 -0.877 19532 42 1 1 . 1 1 8 8 ILE H H 8 7.727 7.727 8.108 -0.381 19532 43 1 1 . 1 1 9 9 ILE N N 9 119.384 119.384 120.294 -0.910 19532 44 1 1 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.704 0.185 19532 45 1 1 . 1 1 9 9 ILE C C 9 179.110 179.110 177.862 1.248 19532 46 1 1 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.652 -1.329 19532 47 1 1 . 1 1 9 9 ILE CB C 9 36.928 36.928 38.263 -1.335 19532 48 1 1 . 1 1 9 9 ILE H H 9 7.843 7.843 8.352 -0.509 19532 49 1 1 . 1 1 10 10 LEU N N 10 124.980 124.980 120.293 4.687 19532 50 1 1 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.857 0.114 19532 51 1 1 . 1 1 10 10 LEU C C 10 177.121 177.121 179.178 -2.057 19532 52 1 1 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.265 0.617 19532 53 1 1 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.316 -0.247 19532 54 1 1 . 1 1 10 10 LEU H H 10 8.333 8.333 7.629 0.704 19532 55 1 1 . 1 1 11 11 VAL N N 11 117.153 117.153 117.898 -0.745 19532 56 1 1 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.532 -0.033 19532 57 1 1 . 1 1 11 11 VAL C C 11 177.471 177.471 178.236 -0.765 19532 58 1 1 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.375 0.132 19532 59 1 1 . 1 1 11 11 VAL CB C 11 30.824 30.824 30.669 0.155 19532 60 1 1 . 1 1 11 11 VAL H H 11 8.270 8.270 8.687 -0.417 19532 61 1 1 . 1 1 12 12 GLU N N 12 116.588 116.588 119.659 -3.071 19532 62 1 1 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.918 -0.186 19532 63 1 1 . 1 1 12 12 GLU C C 12 177.471 177.471 179.177 -1.706 19532 64 1 1 . 1 1 12 12 GLU CA C 12 61.018 61.018 59.973 1.045 19532 65 1 1 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.303 -2.366 19532 66 1 1 . 1 1 12 12 GLU H H 12 9.137 9.137 7.797 1.340 19532 67 1 1 . 1 1 13 13 THR N N 13 116.250 116.250 115.619 0.631 19532 68 1 1 . 1 1 13 13 THR HA H 13 3.732 3.732 3.989 -0.257 19532 69 1 1 . 1 1 13 13 THR C C 13 174.597 174.597 176.419 -1.822 19532 70 1 1 . 1 1 13 13 THR CA C 13 67.291 67.291 67.046 0.245 19532 71 1 1 . 1 1 13 13 THR CB C 13 68.249 68.249 68.743 -0.494 19532 72 1 1 . 1 1 13 13 THR H H 13 8.527 8.527 7.918 0.609 19532 73 1 1 . 1 1 14 14 ALA N N 14 122.920 122.920 123.883 -0.963 19532 74 1 1 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.058 -0.115 19532 75 1 1 . 1 1 14 14 ALA C C 14 178.455 178.455 179.957 -1.502 19532 76 1 1 . 1 1 14 14 ALA CA C 14 54.946 54.946 54.931 0.015 19532 77 1 1 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.027 -0.921 19532 78 1 1 . 1 1 14 14 ALA H H 14 7.810 7.810 7.745 0.065 19532 79 1 1 . 1 1 15 15 VAL N N 15 118.461 118.461 120.287 -1.826 19532 80 1 1 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.669 -0.147 19532 81 1 1 . 1 1 15 15 VAL C C 15 177.318 177.318 178.248 -0.930 19532 82 1 1 . 1 1 15 15 VAL CA C 15 66.820 66.820 66.432 0.388 19532 83 1 1 . 1 1 15 15 VAL CB C 15 30.969 30.969 32.005 -1.036 19532 84 1 1 . 1 1 15 15 VAL H H 15 8.279 8.279 8.270 0.009 19532 85 1 1 . 1 1 16 16 ILE N N 16 120.977 120.977 119.899 1.078 19532 86 1 1 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.649 0.310 19532 87 1 1 . 1 1 16 16 ILE C C 16 179.667 179.667 178.016 1.651 19532 88 1 1 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.388 0.125 19532 89 1 1 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.858 -0.227 19532 90 1 1 . 1 1 16 16 ILE H H 16 8.513 8.513 8.110 0.403 19532 91 1 1 . 1 1 17 17 ALA N N 17 122.195 122.195 121.165 1.030 19532 92 1 1 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.132 -0.047 19532 93 1 1 . 1 1 17 17 ALA C C 17 177.701 177.701 179.961 -2.260 19532 94 1 1 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.268 -0.378 19532 95 1 1 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.262 -0.911 19532 96 1 1 . 1 1 17 17 ALA H H 17 8.041 8.041 7.873 0.168 19532 97 1 1 . 1 1 18 18 MET N N 18 117.769 117.769 118.433 -0.664 19532 98 1 1 . 1 1 18 18 MET HA H 18 4.240 4.240 4.395 -0.155 19532 99 1 1 . 1 1 18 18 MET C C 18 177.864 177.864 178.783 -0.919 19532 100 1 1 . 1 1 18 18 MET CA C 18 58.887 58.887 59.661 -0.774 19532 101 1 1 . 1 1 18 18 MET CB C 18 32.366 32.366 32.550 -0.183 19532 102 1 1 . 1 1 18 18 MET H H 18 8.631 8.631 8.331 0.300 19532 103 1 1 . 1 1 19 19 GLU N N 19 115.854 115.854 119.893 -4.039 19532 104 1 1 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.964 -0.059 19532 105 1 1 . 1 1 19 19 GLU C C 19 176.531 176.531 179.235 -2.704 19532 106 1 1 . 1 1 19 19 GLU CA C 19 59.333 59.333 60.045 -0.712 19532 107 1 1 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.426 -2.269 19532 108 1 1 . 1 1 19 19 GLU H H 19 8.925 8.925 8.285 0.640 19532 109 1 1 . 1 1 20 20 PHE N N 20 119.967 119.967 119.069 0.898 19532 110 1 1 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.315 -0.137 19532 111 1 1 . 1 1 20 20 PHE C C 20 176.051 176.051 177.227 -1.176 19532 112 1 1 . 1 1 20 20 PHE CA C 20 61.141 61.141 60.563 0.578 19532 113 1 1 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.116 -0.885 19532 114 1 1 . 1 1 20 20 PHE H H 20 8.114 8.114 8.107 0.007 19532 115 1 1 . 1 1 21 21 TRP N N 21 119.487 119.487 121.668 -2.181 19532 116 1 1 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.191 -0.002 19532 117 1 1 . 1 1 21 21 TRP C C 21 176.652 176.652 177.300 -0.648 19532 118 1 1 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.645 -0.272 19532 119 1 1 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.322 -1.101 19532 120 1 1 . 1 1 21 21 TRP H H 21 8.581 8.581 8.290 0.291 19532 121 1 1 . 1 1 22 22 LEU N N 22 116.968 116.968 120.633 -3.665 19532 122 1 1 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.830 0.919 19532 123 1 1 . 1 1 22 22 LEU C C 22 177.548 177.548 178.632 -1.084 19532 124 1 1 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.843 -0.337 19532 125 1 1 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.126 0.203 19532 126 1 1 . 1 1 22 22 LEU H H 22 8.140 8.140 8.456 -0.316 19532 127 1 1 . 1 1 23 23 LEU N N 23 118.881 118.881 118.729 0.152 19532 128 1 1 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.750 0.012 19532 129 1 1 . 1 1 23 23 LEU C C 23 177.559 177.559 179.272 -1.713 19532 130 1 1 . 1 1 23 23 LEU CA C 23 57.922 57.922 58.010 -0.088 19532 131 1 1 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.742 -0.391 19532 132 1 1 . 1 1 23 23 LEU H H 23 8.109 8.109 7.658 0.451 19532 133 1 1 . 1 1 24 24 LEU N N 24 118.480 118.480 118.921 -0.441 19532 134 1 1 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.679 0.028 19532 135 1 1 . 1 1 24 24 LEU C C 24 178.138 178.138 178.683 -0.545 19532 136 1 1 . 1 1 24 24 LEU CA C 24 57.727 57.727 57.853 -0.126 19532 137 1 1 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.441 -0.737 19532 138 1 1 . 1 1 24 24 LEU H H 24 8.175 8.175 7.667 0.508 19532 139 1 1 . 1 1 25 25 VAL N N 25 117.639 117.639 119.708 -2.069 19532 140 1 1 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.494 -0.069 19532 141 1 1 . 1 1 25 25 VAL C C 25 177.919 177.919 177.932 -0.013 19532 142 1 1 . 1 1 25 25 VAL CA C 25 66.412 66.412 67.076 -0.664 19532 143 1 1 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.282 -0.684 19532 144 1 1 . 1 1 25 25 VAL H H 25 8.247 8.247 8.132 0.115 19532 145 1 1 . 1 1 26 26 ILE N N 26 119.157 119.157 118.593 0.564 19532 146 1 1 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.627 -0.035 19532 147 1 1 . 1 1 26 26 ILE C C 26 178.973 178.973 178.922 0.051 19532 148 1 1 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.221 -0.511 19532 149 1 1 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.106 -0.163 19532 150 1 1 . 1 1 26 26 ILE H H 26 8.202 8.202 8.214 -0.012 19532 151 1 1 . 1 1 27 27 ILE N N 27 123.208 123.208 120.557 2.651 19532 152 1 1 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.691 -0.145 19532 153 1 1 . 1 1 27 27 ILE C C 27 177.416 177.416 177.543 -0.127 19532 154 1 1 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.320 0.041 19532 155 1 1 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.986 -1.125 19532 156 1 1 . 1 1 27 27 ILE H H 27 8.744 8.744 7.804 0.940 19532 157 1 1 . 1 1 28 28 LEU N N 28 120.044 120.044 121.123 -1.079 19532 158 1 1 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.901 0.072 19532 159 1 1 . 1 1 28 28 LEU C C 28 178.771 178.771 178.886 -0.115 19532 160 1 1 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.519 -0.944 19532 161 1 1 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.704 -1.055 19532 162 1 1 . 1 1 28 28 LEU H H 28 8.752 8.752 8.318 0.434 19532 163 1 1 . 1 1 29 29 ARG N N 29 116.435 116.435 118.066 -1.631 19532 164 1 1 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.953 0.093 19532 165 1 1 . 1 1 29 29 ARG C C 29 177.555 177.555 178.830 -1.275 19532 166 1 1 . 1 1 29 29 ARG CA C 29 57.662 57.662 60.067 -2.405 19532 167 1 1 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.968 -0.436 19532 168 1 1 . 1 1 29 29 ARG H H 29 8.085 8.085 8.725 -0.640 19532 169 1 1 . 1 1 30 30 THR N N 30 113.598 113.598 116.758 -3.160 19532 170 1 1 . 1 1 30 30 THR HA H 30 4.078 4.078 3.961 0.117 19532 171 1 1 . 1 1 30 30 THR C C 30 175.493 175.493 176.479 -0.986 19532 172 1 1 . 1 1 30 30 THR CA C 30 64.777 64.777 66.683 -1.906 19532 173 1 1 . 1 1 30 30 THR CB C 30 68.437 68.437 68.645 -0.208 19532 174 1 1 . 1 1 30 30 THR H H 30 7.874 7.874 7.520 0.354 19532 175 1 1 . 1 1 31 31 VAL N N 31 120.483 120.483 121.023 -0.540 19532 176 1 1 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.546 0.320 19532 177 1 1 . 1 1 31 31 VAL C C 31 176.313 176.313 177.388 -1.075 19532 178 1 1 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.611 -2.387 19532 179 1 1 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.467 -0.186 19532 180 1 1 . 1 1 31 31 VAL H H 31 8.197 8.197 7.954 0.243 19532 181 1 1 . 1 1 32 32 LYS N N 32 120.587 120.587 118.184 2.403 19532 182 1 1 . 1 1 32 32 LYS HA H 32 4.200 4.200 3.999 0.201 19532 183 1 1 . 1 1 32 32 LYS C C 32 176.794 176.794 178.510 -1.716 19532 184 1 1 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.426 -2.463 19532 185 1 1 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.292 -0.566 19532 186 1 1 . 1 1 32 32 LYS H H 32 7.954 7.954 7.951 0.003 19532 187 1 1 . 1 1 33 33 ARG N N 33 119.980 119.980 118.385 1.595 19532 188 1 1 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.009 0.216 19532 189 1 1 . 1 1 33 33 ARG C C 33 176.313 176.313 177.387 -1.074 19532 190 1 1 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.743 -2.479 19532 191 1 1 . 1 1 33 33 ARG CB C 33 29.740 29.740 28.995 0.745 19532 192 1 1 . 1 1 33 33 ARG H H 33 7.877 7.877 7.891 -0.014 19532 193 1 1 . 1 1 34 34 ALA N N 34 123.682 123.682 121.075 2.607 19532 194 1 1 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.163 0.114 19532 195 1 1 . 1 1 34 34 ALA C C 34 177.085 177.085 179.697 -2.612 19532 196 1 1 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.331 -1.808 19532 197 1 1 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.934 -0.617 19532 198 1 1 . 1 1 34 34 ALA H H 34 8.105 8.105 7.545 0.560 19532 199 1 1 . 1 1 35 35 ASN N N 35 116.786 116.786 117.011 -0.225 19532 200 1 1 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.546 0.176 19532 201 1 1 . 1 1 35 35 ASN C C 35 174.979 174.979 177.970 -2.991 19532 202 1 1 . 1 1 35 35 ASN CA C 35 52.886 52.886 54.421 -1.535 19532 203 1 1 . 1 1 35 35 ASN CB C 35 38.625 38.625 37.970 0.655 19532 204 1 1 . 1 1 35 35 ASN H H 35 8.134 8.134 7.926 0.208 19532 205 1 1 . 1 1 36 36 GLY N N 36 108.843 108.843 107.751 1.092 19532 206 1 1 . 1 1 36 36 GLY C C 36 173.341 173.341 175.151 -1.810 19532 207 1 1 . 1 1 36 36 GLY CA C 36 44.888 44.888 45.307 -0.419 19532 208 1 1 . 1 1 36 36 GLY H H 36 8.113 8.113 8.169 -0.056 19532 209 1 2 . 1 1 2 2 LYS N N 2 121.755 121.755 124.201 -2.446 19532 210 1 2 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.216 -0.245 19532 211 1 2 . 1 1 2 2 LYS C C 2 176.772 176.772 177.760 -0.988 19532 212 1 2 . 1 1 2 2 LYS CA C 2 59.061 59.061 58.250 0.811 19532 213 1 2 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.766 -1.057 19532 214 1 2 . 1 1 2 2 LYS H H 2 8.561 8.561 8.537 0.024 19532 215 1 2 . 1 1 3 3 THR N N 3 113.102 113.102 115.846 -2.744 19532 216 1 2 . 1 1 3 3 THR HA H 3 3.992 3.992 3.965 0.027 19532 217 1 2 . 1 1 3 3 THR C C 3 174.816 174.816 176.532 -1.716 19532 218 1 2 . 1 1 3 3 THR CA C 3 64.722 64.722 65.991 -1.269 19532 219 1 2 . 1 1 3 3 THR CB C 3 68.109 68.109 68.069 0.040 19532 220 1 2 . 1 1 3 3 THR H H 3 8.021 8.021 8.315 -0.294 19532 221 1 2 . 1 1 4 4 ASN N N 4 118.987 118.987 119.818 -0.831 19532 222 1 2 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.426 0.083 19532 223 1 2 . 1 1 4 4 ASN C C 4 176.357 176.357 177.605 -1.248 19532 224 1 2 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.385 -1.240 19532 225 1 2 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.370 -0.919 19532 226 1 2 . 1 1 4 4 ASN H H 4 7.658 7.658 7.651 0.007 19532 227 1 2 . 1 1 5 5 LEU N N 5 118.509 118.509 120.487 -1.978 19532 228 1 2 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.855 0.181 19532 229 1 2 . 1 1 5 5 LEU C C 5 177.875 177.875 178.816 -0.941 19532 230 1 2 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.252 -0.850 19532 231 1 2 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.449 -0.349 19532 232 1 2 . 1 1 5 5 LEU H H 5 7.795 7.795 7.914 -0.119 19532 233 1 2 . 1 1 6 6 GLU N N 6 116.513 116.513 118.520 -2.007 19532 234 1 2 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.885 -0.057 19532 235 1 2 . 1 1 6 6 GLU C C 6 176.892 176.892 179.472 -2.580 19532 236 1 2 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.683 -0.470 19532 237 1 2 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.361 -2.296 19532 238 1 2 . 1 1 6 6 GLU H H 6 8.053 8.053 7.897 0.156 19532 239 1 2 . 1 1 7 7 ILE N N 7 118.435 118.435 119.936 -1.501 19532 240 1 2 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.772 -0.098 19532 241 1 2 . 1 1 7 7 ILE C C 7 176.630 176.630 177.900 -1.270 19532 242 1 2 . 1 1 7 7 ILE CA C 7 64.697 64.697 65.302 -0.605 19532 243 1 2 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.058 -1.246 19532 244 1 2 . 1 1 7 7 ILE H H 7 7.854 7.854 7.784 0.070 19532 245 1 2 . 1 1 8 8 ILE N N 8 119.327 119.327 120.970 -1.643 19532 246 1 2 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.568 -0.047 19532 247 1 2 . 1 1 8 8 ILE C C 8 176.772 176.772 178.303 -1.531 19532 248 1 2 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.819 -0.490 19532 249 1 2 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.578 -0.772 19532 250 1 2 . 1 1 8 8 ILE H H 8 7.727 7.727 8.199 -0.472 19532 251 1 2 . 1 1 9 9 ILE N N 9 119.384 119.384 120.463 -1.079 19532 252 1 2 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.681 0.208 19532 253 1 2 . 1 1 9 9 ILE C C 9 179.110 179.110 177.823 1.287 19532 254 1 2 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.726 -1.403 19532 255 1 2 . 1 1 9 9 ILE CB C 9 36.928 36.928 38.215 -1.287 19532 256 1 2 . 1 1 9 9 ILE H H 9 7.843 7.843 8.024 -0.181 19532 257 1 2 . 1 1 10 10 LEU N N 10 124.980 124.980 120.201 4.779 19532 258 1 2 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.840 0.131 19532 259 1 2 . 1 1 10 10 LEU C C 10 177.121 177.121 179.070 -1.949 19532 260 1 2 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.400 0.482 19532 261 1 2 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.442 -0.373 19532 262 1 2 . 1 1 10 10 LEU H H 10 8.333 8.333 7.627 0.706 19532 263 1 2 . 1 1 11 11 VAL N N 11 117.153 117.153 118.134 -0.981 19532 264 1 2 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.447 0.052 19532 265 1 2 . 1 1 11 11 VAL C C 11 177.471 177.471 178.025 -0.554 19532 266 1 2 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.892 -0.385 19532 267 1 2 . 1 1 11 11 VAL CB C 11 30.824 30.824 31.380 -0.556 19532 268 1 2 . 1 1 11 11 VAL H H 11 8.270 8.270 8.733 -0.463 19532 269 1 2 . 1 1 12 12 GLU N N 12 116.588 116.588 119.786 -3.198 19532 270 1 2 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.870 -0.138 19532 271 1 2 . 1 1 12 12 GLU C C 12 177.471 177.471 179.045 -1.574 19532 272 1 2 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.192 0.826 19532 273 1 2 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.254 -2.317 19532 274 1 2 . 1 1 12 12 GLU H H 12 9.137 9.137 7.785 1.352 19532 275 1 2 . 1 1 13 13 THR N N 13 116.250 116.250 115.752 0.498 19532 276 1 2 . 1 1 13 13 THR HA H 13 3.732 3.732 3.990 -0.258 19532 277 1 2 . 1 1 13 13 THR C C 13 174.597 174.597 176.421 -1.824 19532 278 1 2 . 1 1 13 13 THR CA C 13 67.291 67.291 66.289 1.002 19532 279 1 2 . 1 1 13 13 THR CB C 13 68.249 68.249 68.290 -0.041 19532 280 1 2 . 1 1 13 13 THR H H 13 8.527 8.527 7.947 0.580 19532 281 1 2 . 1 1 14 14 ALA N N 14 122.920 122.920 123.391 -0.471 19532 282 1 2 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.062 -0.119 19532 283 1 2 . 1 1 14 14 ALA C C 14 178.455 178.455 179.996 -1.541 19532 284 1 2 . 1 1 14 14 ALA CA C 14 54.946 54.946 54.903 0.043 19532 285 1 2 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.044 -0.938 19532 286 1 2 . 1 1 14 14 ALA H H 14 7.810 7.810 7.742 0.068 19532 287 1 2 . 1 1 15 15 VAL N N 15 118.461 118.461 120.564 -2.103 19532 288 1 2 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.815 -0.293 19532 289 1 2 . 1 1 15 15 VAL C C 15 177.318 177.318 178.437 -1.119 19532 290 1 2 . 1 1 15 15 VAL CA C 15 66.820 66.820 65.797 1.023 19532 291 1 2 . 1 1 15 15 VAL CB C 15 30.969 30.969 31.440 -0.471 19532 292 1 2 . 1 1 15 15 VAL H H 15 8.279 8.279 8.263 0.016 19532 293 1 2 . 1 1 16 16 ILE N N 16 120.977 120.977 120.279 0.698 19532 294 1 2 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.784 0.175 19532 295 1 2 . 1 1 16 16 ILE C C 16 179.667 179.667 178.156 1.511 19532 296 1 2 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.566 -0.053 19532 297 1 2 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.837 -0.205 19532 298 1 2 . 1 1 16 16 ILE H H 16 8.513 8.513 8.239 0.274 19532 299 1 2 . 1 1 17 17 ALA N N 17 122.195 122.195 121.221 0.974 19532 300 1 2 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.146 -0.061 19532 301 1 2 . 1 1 17 17 ALA C C 17 177.701 177.701 179.913 -2.212 19532 302 1 2 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.234 -0.344 19532 303 1 2 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.270 -0.918 19532 304 1 2 . 1 1 17 17 ALA H H 17 8.041 8.041 7.867 0.174 19532 305 1 2 . 1 1 18 18 MET N N 18 117.769 117.769 118.621 -0.852 19532 306 1 2 . 1 1 18 18 MET HA H 18 4.240 4.240 4.381 -0.141 19532 307 1 2 . 1 1 18 18 MET C C 18 177.864 177.864 178.737 -0.873 19532 308 1 2 . 1 1 18 18 MET CA C 18 58.887 58.887 59.759 -0.872 19532 309 1 2 . 1 1 18 18 MET CB C 18 32.366 32.366 32.660 -0.294 19532 310 1 2 . 1 1 18 18 MET H H 18 8.631 8.631 8.374 0.257 19532 311 1 2 . 1 1 19 19 GLU N N 19 115.854 115.854 120.007 -4.153 19532 312 1 2 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.924 -0.019 19532 313 1 2 . 1 1 19 19 GLU C C 19 176.531 176.531 179.164 -2.633 19532 314 1 2 . 1 1 19 19 GLU CA C 19 59.333 59.333 59.435 -0.102 19532 315 1 2 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.354 -2.197 19532 316 1 2 . 1 1 19 19 GLU H H 19 8.925 8.925 8.259 0.666 19532 317 1 2 . 1 1 20 20 PHE N N 20 119.967 119.967 119.376 0.591 19532 318 1 2 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.291 -0.113 19532 319 1 2 . 1 1 20 20 PHE C C 20 176.051 176.051 177.002 -0.951 19532 320 1 2 . 1 1 20 20 PHE CA C 20 61.141 61.141 60.616 0.525 19532 321 1 2 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.317 -1.086 19532 322 1 2 . 1 1 20 20 PHE H H 20 8.114 8.114 8.087 0.027 19532 323 1 2 . 1 1 21 21 TRP N N 21 119.487 119.487 121.549 -2.062 19532 324 1 2 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.214 -0.025 19532 325 1 2 . 1 1 21 21 TRP C C 21 176.652 176.652 177.333 -0.681 19532 326 1 2 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.613 -0.240 19532 327 1 2 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.309 -1.088 19532 328 1 2 . 1 1 21 21 TRP H H 21 8.581 8.581 8.357 0.224 19532 329 1 2 . 1 1 22 22 LEU N N 22 116.968 116.968 120.494 -3.526 19532 330 1 2 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.781 0.968 19532 331 1 2 . 1 1 22 22 LEU C C 22 177.548 177.548 178.624 -1.076 19532 332 1 2 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.792 -0.287 19532 333 1 2 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.058 0.271 19532 334 1 2 . 1 1 22 22 LEU H H 22 8.140 8.140 8.365 -0.225 19532 335 1 2 . 1 1 23 23 LEU N N 23 118.881 118.881 118.800 0.081 19532 336 1 2 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.724 0.038 19532 337 1 2 . 1 1 23 23 LEU C C 23 177.559 177.559 179.206 -1.647 19532 338 1 2 . 1 1 23 23 LEU CA C 23 57.922 57.922 58.032 -0.110 19532 339 1 2 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.709 -0.357 19532 340 1 2 . 1 1 23 23 LEU H H 23 8.109 8.109 7.674 0.435 19532 341 1 2 . 1 1 24 24 LEU N N 24 118.480 118.480 118.743 -0.263 19532 342 1 2 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.677 0.030 19532 343 1 2 . 1 1 24 24 LEU C C 24 178.138 178.138 178.861 -0.723 19532 344 1 2 . 1 1 24 24 LEU CA C 24 57.727 57.727 57.767 -0.040 19532 345 1 2 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.492 -0.789 19532 346 1 2 . 1 1 24 24 LEU H H 24 8.175 8.175 7.546 0.629 19532 347 1 2 . 1 1 25 25 VAL N N 25 117.639 117.639 120.042 -2.403 19532 348 1 2 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.556 -0.131 19532 349 1 2 . 1 1 25 25 VAL C C 25 177.919 177.919 177.699 0.220 19532 350 1 2 . 1 1 25 25 VAL CA C 25 66.412 66.412 66.612 -0.200 19532 351 1 2 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.381 -0.783 19532 352 1 2 . 1 1 25 25 VAL H H 25 8.247 8.247 8.000 0.247 19532 353 1 2 . 1 1 26 26 ILE N N 26 119.157 119.157 118.839 0.318 19532 354 1 2 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.597 -0.005 19532 355 1 2 . 1 1 26 26 ILE C C 26 178.973 178.973 178.731 0.242 19532 356 1 2 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.228 -0.518 19532 357 1 2 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.243 -0.300 19532 358 1 2 . 1 1 26 26 ILE H H 26 8.202 8.202 8.229 -0.027 19532 359 1 2 . 1 1 27 27 ILE N N 27 123.208 123.208 120.383 2.825 19532 360 1 2 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.703 -0.157 19532 361 1 2 . 1 1 27 27 ILE C C 27 177.416 177.416 177.563 -0.147 19532 362 1 2 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.242 0.119 19532 363 1 2 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.953 -1.092 19532 364 1 2 . 1 1 27 27 ILE H H 27 8.744 8.744 7.999 0.745 19532 365 1 2 . 1 1 28 28 LEU N N 28 120.044 120.044 121.159 -1.115 19532 366 1 2 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.927 0.046 19532 367 1 2 . 1 1 28 28 LEU C C 28 178.771 178.771 178.854 -0.083 19532 368 1 2 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.387 -0.812 19532 369 1 2 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.731 -1.082 19532 370 1 2 . 1 1 28 28 LEU H H 28 8.752 8.752 8.136 0.616 19532 371 1 2 . 1 1 29 29 ARG N N 29 116.435 116.435 118.235 -1.800 19532 372 1 2 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.969 0.077 19532 373 1 2 . 1 1 29 29 ARG C C 29 177.555 177.555 178.865 -1.310 19532 374 1 2 . 1 1 29 29 ARG CA C 29 57.662 57.662 59.878 -2.216 19532 375 1 2 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.940 -0.408 19532 376 1 2 . 1 1 29 29 ARG H H 29 8.085 8.085 8.728 -0.643 19532 377 1 2 . 1 1 30 30 THR N N 30 113.598 113.598 116.266 -2.668 19532 378 1 2 . 1 1 30 30 THR HA H 30 4.078 4.078 4.028 0.050 19532 379 1 2 . 1 1 30 30 THR C C 30 175.493 175.493 176.438 -0.945 19532 380 1 2 . 1 1 30 30 THR CA C 30 64.777 64.777 66.234 -1.457 19532 381 1 2 . 1 1 30 30 THR CB C 30 68.437 68.437 68.274 0.163 19532 382 1 2 . 1 1 30 30 THR H H 30 7.874 7.874 7.537 0.337 19532 383 1 2 . 1 1 31 31 VAL N N 31 120.483 120.483 120.704 -0.221 19532 384 1 2 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.552 0.314 19532 385 1 2 . 1 1 31 31 VAL C C 31 176.313 176.313 177.785 -1.472 19532 386 1 2 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.519 -2.295 19532 387 1 2 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.568 -0.287 19532 388 1 2 . 1 1 31 31 VAL H H 31 8.197 8.197 7.848 0.349 19532 389 1 2 . 1 1 32 32 LYS N N 32 120.587 120.587 118.224 2.363 19532 390 1 2 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.013 0.187 19532 391 1 2 . 1 1 32 32 LYS C C 32 176.794 176.794 178.349 -1.555 19532 392 1 2 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.479 -2.516 19532 393 1 2 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.269 -0.543 19532 394 1 2 . 1 1 32 32 LYS H H 32 7.954 7.954 7.937 0.017 19532 395 1 2 . 1 1 33 33 ARG N N 33 119.980 119.980 118.926 1.054 19532 396 1 2 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.008 0.217 19532 397 1 2 . 1 1 33 33 ARG C C 33 176.313 176.313 177.657 -1.344 19532 398 1 2 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.889 -2.625 19532 399 1 2 . 1 1 33 33 ARG CB C 33 29.740 29.740 28.933 0.807 19532 400 1 2 . 1 1 33 33 ARG H H 33 7.877 7.877 8.099 -0.222 19532 401 1 2 . 1 1 34 34 ALA N N 34 123.682 123.682 120.378 3.304 19532 402 1 2 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.188 0.089 19532 403 1 2 . 1 1 34 34 ALA C C 34 177.085 177.085 179.294 -2.209 19532 404 1 2 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.485 -1.962 19532 405 1 2 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.608 -0.291 19532 406 1 2 . 1 1 34 34 ALA H H 34 8.105 8.105 7.590 0.515 19532 407 1 2 . 1 1 35 35 ASN N N 35 116.786 116.786 117.246 -0.460 19532 408 1 2 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.518 0.204 19532 409 1 2 . 1 1 35 35 ASN C C 35 174.979 174.979 177.943 -2.964 19532 410 1 2 . 1 1 35 35 ASN CA C 35 52.886 52.886 55.367 -2.481 19532 411 1 2 . 1 1 35 35 ASN CB C 35 38.625 38.625 38.303 0.322 19532 412 1 2 . 1 1 35 35 ASN H H 35 8.134 8.134 7.905 0.229 19532 413 1 2 . 1 1 36 36 GLY N N 36 108.843 108.843 107.366 1.477 19532 414 1 2 . 1 1 36 36 GLY C C 36 173.341 173.341 174.532 -1.191 19532 415 1 2 . 1 1 36 36 GLY CA C 36 44.888 44.888 45.864 -0.976 19532 416 1 2 . 1 1 36 36 GLY H H 36 8.113 8.113 8.113 0.000 19532 417 1 3 . 1 1 2 2 LYS N N 2 121.755 121.755 123.309 -1.554 19532 418 1 3 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.172 -0.201 19532 419 1 3 . 1 1 2 2 LYS C C 2 176.772 176.772 177.900 -1.128 19532 420 1 3 . 1 1 2 2 LYS CA C 2 59.061 59.061 58.114 0.947 19532 421 1 3 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.503 -0.794 19532 422 1 3 . 1 1 2 2 LYS H H 2 8.561 8.561 8.585 -0.024 19532 423 1 3 . 1 1 3 3 THR N N 3 113.102 113.102 115.656 -2.554 19532 424 1 3 . 1 1 3 3 THR HA H 3 3.992 3.992 3.921 0.071 19532 425 1 3 . 1 1 3 3 THR C C 3 174.816 174.816 176.556 -1.740 19532 426 1 3 . 1 1 3 3 THR CA C 3 64.722 64.722 67.109 -2.388 19532 427 1 3 . 1 1 3 3 THR CB C 3 68.109 68.109 68.345 -0.236 19532 428 1 3 . 1 1 3 3 THR H H 3 8.021 8.021 8.247 -0.226 19532 429 1 3 . 1 1 4 4 ASN N N 4 118.987 118.987 119.727 -0.740 19532 430 1 3 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.453 0.056 19532 431 1 3 . 1 1 4 4 ASN C C 4 176.357 176.357 177.463 -1.106 19532 432 1 3 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.111 -0.966 19532 433 1 3 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.163 -0.712 19532 434 1 3 . 1 1 4 4 ASN H H 4 7.658 7.658 7.641 0.017 19532 435 1 3 . 1 1 5 5 LEU N N 5 118.509 118.509 120.517 -2.008 19532 436 1 3 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.850 0.186 19532 437 1 3 . 1 1 5 5 LEU C C 5 177.875 177.875 178.812 -0.937 19532 438 1 3 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.400 -0.998 19532 439 1 3 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.404 -0.304 19532 440 1 3 . 1 1 5 5 LEU H H 5 7.795 7.795 7.797 -0.002 19532 441 1 3 . 1 1 6 6 GLU N N 6 116.513 116.513 118.618 -2.105 19532 442 1 3 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.891 -0.063 19532 443 1 3 . 1 1 6 6 GLU C C 6 176.892 176.892 179.473 -2.581 19532 444 1 3 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.711 -0.498 19532 445 1 3 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.351 -2.286 19532 446 1 3 . 1 1 6 6 GLU H H 6 8.053 8.053 8.077 -0.024 19532 447 1 3 . 1 1 7 7 ILE N N 7 118.435 118.435 119.897 -1.462 19532 448 1 3 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.778 -0.104 19532 449 1 3 . 1 1 7 7 ILE C C 7 176.630 176.630 177.888 -1.258 19532 450 1 3 . 1 1 7 7 ILE CA C 7 64.697 64.697 65.276 -0.579 19532 451 1 3 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.050 -1.238 19532 452 1 3 . 1 1 7 7 ILE H H 7 7.854 7.854 7.775 0.079 19532 453 1 3 . 1 1 8 8 ILE N N 8 119.327 119.327 120.976 -1.649 19532 454 1 3 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.570 -0.049 19532 455 1 3 . 1 1 8 8 ILE C C 8 176.772 176.772 178.311 -1.539 19532 456 1 3 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.806 -0.478 19532 457 1 3 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.578 -0.772 19532 458 1 3 . 1 1 8 8 ILE H H 8 7.727 7.727 8.089 -0.362 19532 459 1 3 . 1 1 9 9 ILE N N 9 119.384 119.384 120.440 -1.056 19532 460 1 3 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.681 0.208 19532 461 1 3 . 1 1 9 9 ILE C C 9 179.110 179.110 177.809 1.301 19532 462 1 3 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.730 -1.407 19532 463 1 3 . 1 1 9 9 ILE CB C 9 36.928 36.928 38.231 -1.303 19532 464 1 3 . 1 1 9 9 ILE H H 9 7.843 7.843 8.028 -0.185 19532 465 1 3 . 1 1 10 10 LEU N N 10 124.980 124.980 120.261 4.719 19532 466 1 3 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.859 0.112 19532 467 1 3 . 1 1 10 10 LEU C C 10 177.121 177.121 179.203 -2.082 19532 468 1 3 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.268 0.614 19532 469 1 3 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.281 -0.212 19532 470 1 3 . 1 1 10 10 LEU H H 10 8.333 8.333 7.648 0.685 19532 471 1 3 . 1 1 11 11 VAL N N 11 117.153 117.153 117.793 -0.640 19532 472 1 3 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.541 -0.042 19532 473 1 3 . 1 1 11 11 VAL C C 11 177.471 177.471 178.268 -0.797 19532 474 1 3 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.339 0.168 19532 475 1 3 . 1 1 11 11 VAL CB C 11 30.824 30.824 30.624 0.200 19532 476 1 3 . 1 1 11 11 VAL H H 11 8.270 8.270 8.739 -0.469 19532 477 1 3 . 1 1 12 12 GLU N N 12 116.588 116.588 120.214 -3.626 19532 478 1 3 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.883 -0.151 19532 479 1 3 . 1 1 12 12 GLU C C 12 177.471 177.471 179.243 -1.772 19532 480 1 3 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.404 0.614 19532 481 1 3 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.377 -2.440 19532 482 1 3 . 1 1 12 12 GLU H H 12 9.137 9.137 7.843 1.294 19532 483 1 3 . 1 1 13 13 THR N N 13 116.250 116.250 116.146 0.104 19532 484 1 3 . 1 1 13 13 THR HA H 13 3.732 3.732 3.955 -0.223 19532 485 1 3 . 1 1 13 13 THR C C 13 174.597 174.597 176.366 -1.769 19532 486 1 3 . 1 1 13 13 THR CA C 13 67.291 67.291 67.106 0.185 19532 487 1 3 . 1 1 13 13 THR CB C 13 68.249 68.249 68.680 -0.431 19532 488 1 3 . 1 1 13 13 THR H H 13 8.527 8.527 7.953 0.574 19532 489 1 3 . 1 1 14 14 ALA N N 14 122.920 122.920 123.463 -0.543 19532 490 1 3 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.055 -0.112 19532 491 1 3 . 1 1 14 14 ALA C C 14 178.455 178.455 179.739 -1.284 19532 492 1 3 . 1 1 14 14 ALA CA C 14 54.946 54.946 54.877 0.069 19532 493 1 3 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.071 -0.965 19532 494 1 3 . 1 1 14 14 ALA H H 14 7.810 7.810 7.699 0.111 19532 495 1 3 . 1 1 15 15 VAL N N 15 118.461 118.461 120.329 -1.868 19532 496 1 3 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.673 -0.151 19532 497 1 3 . 1 1 15 15 VAL C C 15 177.318 177.318 178.231 -0.913 19532 498 1 3 . 1 1 15 15 VAL CA C 15 66.820 66.820 66.408 0.412 19532 499 1 3 . 1 1 15 15 VAL CB C 15 30.969 30.969 32.022 -1.053 19532 500 1 3 . 1 1 15 15 VAL H H 15 8.279 8.279 8.241 0.038 19532 501 1 3 . 1 1 16 16 ILE N N 16 120.977 120.977 119.792 1.185 19532 502 1 3 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.787 0.172 19532 503 1 3 . 1 1 16 16 ILE C C 16 179.667 179.667 178.035 1.632 19532 504 1 3 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.405 0.108 19532 505 1 3 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.939 -0.308 19532 506 1 3 . 1 1 16 16 ILE H H 16 8.513 8.513 8.191 0.322 19532 507 1 3 . 1 1 17 17 ALA N N 17 122.195 122.195 121.236 0.959 19532 508 1 3 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.187 -0.102 19532 509 1 3 . 1 1 17 17 ALA C C 17 177.701 177.701 179.900 -2.199 19532 510 1 3 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.246 -0.356 19532 511 1 3 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.279 -0.927 19532 512 1 3 . 1 1 17 17 ALA H H 17 8.041 8.041 7.877 0.164 19532 513 1 3 . 1 1 18 18 MET N N 18 117.769 117.769 118.620 -0.851 19532 514 1 3 . 1 1 18 18 MET HA H 18 4.240 4.240 4.362 -0.122 19532 515 1 3 . 1 1 18 18 MET C C 18 177.864 177.864 178.730 -0.866 19532 516 1 3 . 1 1 18 18 MET CA C 18 58.887 58.887 59.748 -0.861 19532 517 1 3 . 1 1 18 18 MET CB C 18 32.366 32.366 32.653 -0.287 19532 518 1 3 . 1 1 18 18 MET H H 18 8.631 8.631 8.374 0.257 19532 519 1 3 . 1 1 19 19 GLU N N 19 115.854 115.854 120.045 -4.191 19532 520 1 3 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.937 -0.032 19532 521 1 3 . 1 1 19 19 GLU C C 19 176.531 176.531 179.212 -2.681 19532 522 1 3 . 1 1 19 19 GLU CA C 19 59.333 59.333 59.423 -0.090 19532 523 1 3 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.351 -2.194 19532 524 1 3 . 1 1 19 19 GLU H H 19 8.925 8.925 8.267 0.658 19532 525 1 3 . 1 1 20 20 PHE N N 20 119.967 119.967 119.336 0.631 19532 526 1 3 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.324 -0.146 19532 527 1 3 . 1 1 20 20 PHE C C 20 176.051 176.051 177.090 -1.039 19532 528 1 3 . 1 1 20 20 PHE CA C 20 61.141 61.141 59.527 1.614 19532 529 1 3 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.062 -0.831 19532 530 1 3 . 1 1 20 20 PHE H H 20 8.114 8.114 8.092 0.022 19532 531 1 3 . 1 1 21 21 TRP N N 21 119.487 119.487 121.681 -2.194 19532 532 1 3 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.141 0.048 19532 533 1 3 . 1 1 21 21 TRP C C 21 176.652 176.652 177.397 -0.745 19532 534 1 3 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.640 -0.267 19532 535 1 3 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.280 -1.059 19532 536 1 3 . 1 1 21 21 TRP H H 21 8.581 8.581 8.299 0.282 19532 537 1 3 . 1 1 22 22 LEU N N 22 116.968 116.968 120.578 -3.610 19532 538 1 3 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.809 0.940 19532 539 1 3 . 1 1 22 22 LEU C C 22 177.548 177.548 178.656 -1.108 19532 540 1 3 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.812 -0.307 19532 541 1 3 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.075 0.254 19532 542 1 3 . 1 1 22 22 LEU H H 22 8.140 8.140 8.390 -0.250 19532 543 1 3 . 1 1 23 23 LEU N N 23 118.881 118.881 118.832 0.049 19532 544 1 3 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.781 -0.019 19532 545 1 3 . 1 1 23 23 LEU C C 23 177.559 177.559 179.321 -1.762 19532 546 1 3 . 1 1 23 23 LEU CA C 23 57.922 57.922 58.089 -0.167 19532 547 1 3 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.810 -0.459 19532 548 1 3 . 1 1 23 23 LEU H H 23 8.109 8.109 7.741 0.368 19532 549 1 3 . 1 1 24 24 LEU N N 24 118.480 118.480 119.023 -0.543 19532 550 1 3 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.770 -0.063 19532 551 1 3 . 1 1 24 24 LEU C C 24 178.138 178.138 178.730 -0.592 19532 552 1 3 . 1 1 24 24 LEU CA C 24 57.727 57.727 57.924 -0.197 19532 553 1 3 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.623 -0.920 19532 554 1 3 . 1 1 24 24 LEU H H 24 8.175 8.175 7.712 0.463 19532 555 1 3 . 1 1 25 25 VAL N N 25 117.639 117.639 119.814 -2.175 19532 556 1 3 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.424 0.001 19532 557 1 3 . 1 1 25 25 VAL C C 25 177.919 177.919 177.566 0.353 19532 558 1 3 . 1 1 25 25 VAL CA C 25 66.412 66.412 67.361 -0.949 19532 559 1 3 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.750 -1.152 19532 560 1 3 . 1 1 25 25 VAL H H 25 8.247 8.247 8.017 0.230 19532 561 1 3 . 1 1 26 26 ILE N N 26 119.157 119.157 118.750 0.407 19532 562 1 3 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.642 -0.050 19532 563 1 3 . 1 1 26 26 ILE C C 26 178.973 178.973 178.593 0.380 19532 564 1 3 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.193 -0.483 19532 565 1 3 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.230 -0.287 19532 566 1 3 . 1 1 26 26 ILE H H 26 8.202 8.202 8.247 -0.045 19532 567 1 3 . 1 1 27 27 ILE N N 27 123.208 123.208 120.488 2.720 19532 568 1 3 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.720 -0.174 19532 569 1 3 . 1 1 27 27 ILE C C 27 177.416 177.416 177.569 -0.153 19532 570 1 3 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.306 0.055 19532 571 1 3 . 1 1 27 27 ILE CB C 27 36.861 36.861 38.011 -1.149 19532 572 1 3 . 1 1 27 27 ILE H H 27 8.744 8.744 7.945 0.799 19532 573 1 3 . 1 1 28 28 LEU N N 28 120.044 120.044 121.173 -1.129 19532 574 1 3 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.922 0.051 19532 575 1 3 . 1 1 28 28 LEU C C 28 178.771 178.771 178.886 -0.115 19532 576 1 3 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.464 -0.889 19532 577 1 3 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.718 -1.069 19532 578 1 3 . 1 1 28 28 LEU H H 28 8.752 8.752 8.235 0.517 19532 579 1 3 . 1 1 29 29 ARG N N 29 116.435 116.435 118.140 -1.705 19532 580 1 3 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.966 0.080 19532 581 1 3 . 1 1 29 29 ARG C C 29 177.555 177.555 178.836 -1.281 19532 582 1 3 . 1 1 29 29 ARG CA C 29 57.662 57.662 60.070 -2.408 19532 583 1 3 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.994 -0.462 19532 584 1 3 . 1 1 29 29 ARG H H 29 8.085 8.085 8.739 -0.654 19532 585 1 3 . 1 1 30 30 THR N N 30 113.598 113.598 116.964 -3.366 19532 586 1 3 . 1 1 30 30 THR HA H 30 4.078 4.078 3.964 0.114 19532 587 1 3 . 1 1 30 30 THR C C 30 175.493 175.493 176.412 -0.919 19532 588 1 3 . 1 1 30 30 THR CA C 30 64.777 64.777 66.730 -1.953 19532 589 1 3 . 1 1 30 30 THR CB C 30 68.437 68.437 68.676 -0.239 19532 590 1 3 . 1 1 30 30 THR H H 30 7.874 7.874 7.550 0.324 19532 591 1 3 . 1 1 31 31 VAL N N 31 120.483 120.483 121.304 -0.821 19532 592 1 3 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.493 0.373 19532 593 1 3 . 1 1 31 31 VAL C C 31 176.313 176.313 177.618 -1.305 19532 594 1 3 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.525 -2.301 19532 595 1 3 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.635 -0.354 19532 596 1 3 . 1 1 31 31 VAL H H 31 8.197 8.197 7.905 0.292 19532 597 1 3 . 1 1 32 32 LYS N N 32 120.587 120.587 117.886 2.701 19532 598 1 3 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.005 0.195 19532 599 1 3 . 1 1 32 32 LYS C C 32 176.794 176.794 177.717 -0.923 19532 600 1 3 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.253 -2.290 19532 601 1 3 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.264 -0.538 19532 602 1 3 . 1 1 32 32 LYS H H 32 7.954 7.954 7.960 -0.006 19532 603 1 3 . 1 1 33 33 ARG N N 33 119.980 119.980 117.669 2.311 19532 604 1 3 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.043 0.182 19532 605 1 3 . 1 1 33 33 ARG C C 33 176.313 176.313 177.869 -1.556 19532 606 1 3 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.666 -2.402 19532 607 1 3 . 1 1 33 33 ARG CB C 33 29.740 29.740 29.293 0.447 19532 608 1 3 . 1 1 33 33 ARG H H 33 7.877 7.877 7.952 -0.075 19532 609 1 3 . 1 1 34 34 ALA N N 34 123.682 123.682 121.199 2.483 19532 610 1 3 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.209 0.068 19532 611 1 3 . 1 1 34 34 ALA C C 34 177.085 177.085 178.832 -1.747 19532 612 1 3 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.191 -1.668 19532 613 1 3 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.336 -0.019 19532 614 1 3 . 1 1 34 34 ALA H H 34 8.105 8.105 7.421 0.684 19532 615 1 3 . 1 1 35 35 ASN N N 35 116.786 116.786 115.821 0.965 19532 616 1 3 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.551 0.171 19532 617 1 3 . 1 1 35 35 ASN C C 35 174.979 174.979 176.369 -1.390 19532 618 1 3 . 1 1 35 35 ASN CA C 35 52.886 52.886 54.211 -1.325 19532 619 1 3 . 1 1 35 35 ASN CB C 35 38.625 38.625 38.263 0.362 19532 620 1 3 . 1 1 35 35 ASN H H 35 8.134 8.134 7.754 0.380 19532 621 1 3 . 1 1 36 36 GLY N N 36 108.843 108.843 107.280 1.563 19532 622 1 3 . 1 1 36 36 GLY C C 36 173.341 173.341 173.552 -0.211 19532 623 1 3 . 1 1 36 36 GLY CA C 36 44.888 44.888 44.936 -0.048 19532 624 1 3 . 1 1 36 36 GLY H H 36 8.113 8.113 7.257 0.856 19532 625 1 4 . 1 1 2 2 LYS N N 2 121.755 121.755 123.436 -1.681 19532 626 1 4 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.072 -0.101 19532 627 1 4 . 1 1 2 2 LYS C C 2 176.772 176.772 178.048 -1.276 19532 628 1 4 . 1 1 2 2 LYS CA C 2 59.061 59.061 58.434 0.627 19532 629 1 4 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.434 -0.725 19532 630 1 4 . 1 1 2 2 LYS H H 2 8.561 8.561 8.605 -0.044 19532 631 1 4 . 1 1 3 3 THR N N 3 113.102 113.102 115.433 -2.331 19532 632 1 4 . 1 1 3 3 THR HA H 3 3.992 3.992 3.874 0.118 19532 633 1 4 . 1 1 3 3 THR C C 3 174.816 174.816 176.441 -1.625 19532 634 1 4 . 1 1 3 3 THR CA C 3 64.722 64.722 66.465 -1.743 19532 635 1 4 . 1 1 3 3 THR CB C 3 68.109 68.109 68.308 -0.199 19532 636 1 4 . 1 1 3 3 THR H H 3 8.021 8.021 8.140 -0.119 19532 637 1 4 . 1 1 4 4 ASN N N 4 118.987 118.987 119.934 -0.947 19532 638 1 4 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.352 0.157 19532 639 1 4 . 1 1 4 4 ASN C C 4 176.357 176.357 177.862 -1.505 19532 640 1 4 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.116 -0.971 19532 641 1 4 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.395 -0.944 19532 642 1 4 . 1 1 4 4 ASN H H 4 7.658 7.658 7.774 -0.116 19532 643 1 4 . 1 1 5 5 LEU N N 5 118.509 118.509 120.240 -1.731 19532 644 1 4 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.845 0.191 19532 645 1 4 . 1 1 5 5 LEU C C 5 177.875 177.875 178.733 -0.858 19532 646 1 4 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.257 -0.855 19532 647 1 4 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.412 -0.312 19532 648 1 4 . 1 1 5 5 LEU H H 5 7.795 7.795 7.974 -0.179 19532 649 1 4 . 1 1 6 6 GLU N N 6 116.513 116.513 118.667 -2.154 19532 650 1 4 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.897 -0.069 19532 651 1 4 . 1 1 6 6 GLU C C 6 176.892 176.892 179.579 -2.687 19532 652 1 4 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.686 -0.473 19532 653 1 4 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.322 -2.257 19532 654 1 4 . 1 1 6 6 GLU H H 6 8.053 8.053 8.159 -0.106 19532 655 1 4 . 1 1 7 7 ILE N N 7 118.435 118.435 119.837 -1.402 19532 656 1 4 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.828 -0.154 19532 657 1 4 . 1 1 7 7 ILE C C 7 176.630 176.630 177.812 -1.182 19532 658 1 4 . 1 1 7 7 ILE CA C 7 64.697 64.697 65.138 -0.441 19532 659 1 4 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.163 -1.351 19532 660 1 4 . 1 1 7 7 ILE H H 7 7.854 7.854 7.868 -0.014 19532 661 1 4 . 1 1 8 8 ILE N N 8 119.327 119.327 121.394 -2.067 19532 662 1 4 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.576 -0.055 19532 663 1 4 . 1 1 8 8 ILE C C 8 176.772 176.772 178.273 -1.501 19532 664 1 4 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.981 -0.652 19532 665 1 4 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.684 -0.878 19532 666 1 4 . 1 1 8 8 ILE H H 8 7.727 7.727 8.095 -0.368 19532 667 1 4 . 1 1 9 9 ILE N N 9 119.384 119.384 120.239 -0.855 19532 668 1 4 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.694 0.195 19532 669 1 4 . 1 1 9 9 ILE C C 9 179.110 179.110 177.820 1.290 19532 670 1 4 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.689 -1.366 19532 671 1 4 . 1 1 9 9 ILE CB C 9 36.928 36.928 38.261 -1.333 19532 672 1 4 . 1 1 9 9 ILE H H 9 7.843 7.843 8.371 -0.528 19532 673 1 4 . 1 1 10 10 LEU N N 10 124.980 124.980 120.324 4.656 19532 674 1 4 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.858 0.113 19532 675 1 4 . 1 1 10 10 LEU C C 10 177.121 177.121 179.164 -2.043 19532 676 1 4 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.260 0.622 19532 677 1 4 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.343 -0.274 19532 678 1 4 . 1 1 10 10 LEU H H 10 8.333 8.333 7.624 0.709 19532 679 1 4 . 1 1 11 11 VAL N N 11 117.153 117.153 117.860 -0.707 19532 680 1 4 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.544 -0.045 19532 681 1 4 . 1 1 11 11 VAL C C 11 177.471 177.471 178.265 -0.794 19532 682 1 4 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.309 0.198 19532 683 1 4 . 1 1 11 11 VAL CB C 11 30.824 30.824 30.648 0.176 19532 684 1 4 . 1 1 11 11 VAL H H 11 8.270 8.270 8.705 -0.435 19532 685 1 4 . 1 1 12 12 GLU N N 12 116.588 116.588 119.891 -3.303 19532 686 1 4 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.863 -0.131 19532 687 1 4 . 1 1 12 12 GLU C C 12 177.471 177.471 179.324 -1.853 19532 688 1 4 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.241 0.777 19532 689 1 4 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.275 -2.338 19532 690 1 4 . 1 1 12 12 GLU H H 12 9.137 9.137 7.802 1.335 19532 691 1 4 . 1 1 13 13 THR N N 13 116.250 116.250 115.682 0.568 19532 692 1 4 . 1 1 13 13 THR HA H 13 3.732 3.732 3.990 -0.258 19532 693 1 4 . 1 1 13 13 THR C C 13 174.597 174.597 176.430 -1.833 19532 694 1 4 . 1 1 13 13 THR CA C 13 67.291 67.291 67.057 0.234 19532 695 1 4 . 1 1 13 13 THR CB C 13 68.249 68.249 68.748 -0.498 19532 696 1 4 . 1 1 13 13 THR H H 13 8.527 8.527 7.924 0.603 19532 697 1 4 . 1 1 14 14 ALA N N 14 122.920 122.920 123.829 -0.909 19532 698 1 4 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.062 -0.119 19532 699 1 4 . 1 1 14 14 ALA C C 14 178.455 178.455 179.968 -1.513 19532 700 1 4 . 1 1 14 14 ALA CA C 14 54.946 54.946 54.894 0.052 19532 701 1 4 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.024 -0.918 19532 702 1 4 . 1 1 14 14 ALA H H 14 7.810 7.810 7.750 0.060 19532 703 1 4 . 1 1 15 15 VAL N N 15 118.461 118.461 120.302 -1.841 19532 704 1 4 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.674 -0.152 19532 705 1 4 . 1 1 15 15 VAL C C 15 177.318 177.318 178.225 -0.907 19532 706 1 4 . 1 1 15 15 VAL CA C 15 66.820 66.820 66.403 0.418 19532 707 1 4 . 1 1 15 15 VAL CB C 15 30.969 30.969 32.019 -1.050 19532 708 1 4 . 1 1 15 15 VAL H H 15 8.279 8.279 8.253 0.026 19532 709 1 4 . 1 1 16 16 ILE N N 16 120.977 120.977 119.782 1.195 19532 710 1 4 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.783 0.176 19532 711 1 4 . 1 1 16 16 ILE C C 16 179.667 179.667 178.015 1.652 19532 712 1 4 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.393 0.120 19532 713 1 4 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.929 -0.298 19532 714 1 4 . 1 1 16 16 ILE H H 16 8.513 8.513 8.106 0.407 19532 715 1 4 . 1 1 17 17 ALA N N 17 122.195 122.195 121.225 0.970 19532 716 1 4 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.140 -0.055 19532 717 1 4 . 1 1 17 17 ALA C C 17 177.701 177.701 179.905 -2.204 19532 718 1 4 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.227 -0.337 19532 719 1 4 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.267 -0.915 19532 720 1 4 . 1 1 17 17 ALA H H 17 8.041 8.041 7.859 0.182 19532 721 1 4 . 1 1 18 18 MET N N 18 117.769 117.769 118.606 -0.837 19532 722 1 4 . 1 1 18 18 MET HA H 18 4.240 4.240 4.381 -0.141 19532 723 1 4 . 1 1 18 18 MET C C 18 177.864 177.864 178.740 -0.876 19532 724 1 4 . 1 1 18 18 MET CA C 18 58.887 58.887 59.758 -0.871 19532 725 1 4 . 1 1 18 18 MET CB C 18 32.366 32.366 32.667 -0.301 19532 726 1 4 . 1 1 18 18 MET H H 18 8.631 8.631 8.376 0.255 19532 727 1 4 . 1 1 19 19 GLU N N 19 115.854 115.854 120.040 -4.186 19532 728 1 4 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.933 -0.028 19532 729 1 4 . 1 1 19 19 GLU C C 19 176.531 176.531 179.214 -2.683 19532 730 1 4 . 1 1 19 19 GLU CA C 19 59.333 59.333 59.429 -0.096 19532 731 1 4 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.353 -2.196 19532 732 1 4 . 1 1 19 19 GLU H H 19 8.925 8.925 8.248 0.677 19532 733 1 4 . 1 1 20 20 PHE N N 20 119.967 119.967 119.266 0.701 19532 734 1 4 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.302 -0.124 19532 735 1 4 . 1 1 20 20 PHE C C 20 176.051 176.051 177.132 -1.081 19532 736 1 4 . 1 1 20 20 PHE CA C 20 61.141 61.141 60.542 0.599 19532 737 1 4 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.240 -1.009 19532 738 1 4 . 1 1 20 20 PHE H H 20 8.114 8.114 8.087 0.027 19532 739 1 4 . 1 1 21 21 TRP N N 21 119.487 119.487 121.578 -2.091 19532 740 1 4 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.259 -0.070 19532 741 1 4 . 1 1 21 21 TRP C C 21 176.652 176.652 177.404 -0.752 19532 742 1 4 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.678 -0.305 19532 743 1 4 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.282 -1.061 19532 744 1 4 . 1 1 21 21 TRP H H 21 8.581 8.581 8.385 0.196 19532 745 1 4 . 1 1 22 22 LEU N N 22 116.968 116.968 120.513 -3.545 19532 746 1 4 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.794 0.955 19532 747 1 4 . 1 1 22 22 LEU C C 22 177.548 177.548 178.640 -1.092 19532 748 1 4 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.799 -0.294 19532 749 1 4 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.063 0.266 19532 750 1 4 . 1 1 22 22 LEU H H 22 8.140 8.140 8.364 -0.224 19532 751 1 4 . 1 1 23 23 LEU N N 23 118.881 118.881 118.821 0.060 19532 752 1 4 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.731 0.031 19532 753 1 4 . 1 1 23 23 LEU C C 23 177.559 177.559 179.218 -1.659 19532 754 1 4 . 1 1 23 23 LEU CA C 23 57.922 57.922 58.041 -0.119 19532 755 1 4 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.716 -0.365 19532 756 1 4 . 1 1 23 23 LEU H H 23 8.109 8.109 7.698 0.411 19532 757 1 4 . 1 1 24 24 LEU N N 24 118.480 118.480 118.867 -0.387 19532 758 1 4 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.678 0.029 19532 759 1 4 . 1 1 24 24 LEU C C 24 178.138 178.138 178.772 -0.634 19532 760 1 4 . 1 1 24 24 LEU CA C 24 57.727 57.727 57.845 -0.118 19532 761 1 4 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.624 -0.921 19532 762 1 4 . 1 1 24 24 LEU H H 24 8.175 8.175 7.567 0.608 19532 763 1 4 . 1 1 25 25 VAL N N 25 117.639 117.639 119.815 -2.176 19532 764 1 4 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.437 -0.012 19532 765 1 4 . 1 1 25 25 VAL C C 25 177.919 177.919 177.564 0.355 19532 766 1 4 . 1 1 25 25 VAL CA C 25 66.412 66.412 67.236 -0.824 19532 767 1 4 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.741 -1.143 19532 768 1 4 . 1 1 25 25 VAL H H 25 8.247 8.247 8.011 0.236 19532 769 1 4 . 1 1 26 26 ILE N N 26 119.157 119.157 118.727 0.430 19532 770 1 4 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.578 0.014 19532 771 1 4 . 1 1 26 26 ILE C C 26 178.973 178.973 178.213 0.760 19532 772 1 4 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.210 -0.501 19532 773 1 4 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.249 -0.306 19532 774 1 4 . 1 1 26 26 ILE H H 26 8.202 8.202 8.239 -0.037 19532 775 1 4 . 1 1 27 27 ILE N N 27 123.208 123.208 119.687 3.521 19532 776 1 4 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.662 -0.116 19532 777 1 4 . 1 1 27 27 ILE C C 27 177.416 177.416 177.816 -0.400 19532 778 1 4 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.325 0.036 19532 779 1 4 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.903 -1.042 19532 780 1 4 . 1 1 27 27 ILE H H 27 8.744 8.744 7.925 0.819 19532 781 1 4 . 1 1 28 28 LEU N N 28 120.044 120.044 121.170 -1.126 19532 782 1 4 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.930 0.043 19532 783 1 4 . 1 1 28 28 LEU C C 28 178.771 178.771 178.848 -0.077 19532 784 1 4 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.377 -0.802 19532 785 1 4 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.738 -1.089 19532 786 1 4 . 1 1 28 28 LEU H H 28 8.752 8.752 8.142 0.610 19532 787 1 4 . 1 1 29 29 ARG N N 29 116.435 116.435 117.954 -1.519 19532 788 1 4 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.932 0.114 19532 789 1 4 . 1 1 29 29 ARG C C 29 177.555 177.555 178.809 -1.254 19532 790 1 4 . 1 1 29 29 ARG CA C 29 57.662 57.662 60.179 -2.517 19532 791 1 4 . 1 1 29 29 ARG CB C 29 29.532 29.532 30.055 -0.523 19532 792 1 4 . 1 1 29 29 ARG H H 29 8.085 8.085 8.716 -0.631 19532 793 1 4 . 1 1 30 30 THR N N 30 113.598 113.598 116.907 -3.309 19532 794 1 4 . 1 1 30 30 THR HA H 30 4.078 4.078 3.961 0.117 19532 795 1 4 . 1 1 30 30 THR C C 30 175.493 175.493 176.388 -0.895 19532 796 1 4 . 1 1 30 30 THR CA C 30 64.777 64.777 66.735 -1.958 19532 797 1 4 . 1 1 30 30 THR CB C 30 68.437 68.437 68.663 -0.226 19532 798 1 4 . 1 1 30 30 THR H H 30 7.874 7.874 7.546 0.328 19532 799 1 4 . 1 1 31 31 VAL N N 31 120.483 120.483 121.221 -0.738 19532 800 1 4 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.491 0.375 19532 801 1 4 . 1 1 31 31 VAL C C 31 176.313 176.313 177.653 -1.340 19532 802 1 4 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.426 -2.202 19532 803 1 4 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.637 -0.356 19532 804 1 4 . 1 1 31 31 VAL H H 31 8.197 8.197 7.761 0.436 19532 805 1 4 . 1 1 32 32 LYS N N 32 120.587 120.587 118.115 2.472 19532 806 1 4 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.014 0.186 19532 807 1 4 . 1 1 32 32 LYS C C 32 176.794 176.794 178.261 -1.467 19532 808 1 4 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.556 -2.593 19532 809 1 4 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.213 -0.487 19532 810 1 4 . 1 1 32 32 LYS H H 32 7.954 7.954 8.023 -0.069 19532 811 1 4 . 1 1 33 33 ARG N N 33 119.980 119.980 118.966 1.014 19532 812 1 4 . 1 1 33 33 ARG HA H 33 4.225 4.225 3.995 0.230 19532 813 1 4 . 1 1 33 33 ARG C C 33 176.313 176.313 177.872 -1.559 19532 814 1 4 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.864 -2.600 19532 815 1 4 . 1 1 33 33 ARG CB C 33 29.740 29.740 29.157 0.583 19532 816 1 4 . 1 1 33 33 ARG H H 33 7.877 7.877 8.109 -0.232 19532 817 1 4 . 1 1 34 34 ALA N N 34 123.682 123.682 120.610 3.072 19532 818 1 4 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.216 0.061 19532 819 1 4 . 1 1 34 34 ALA C C 34 177.085 177.085 178.998 -1.913 19532 820 1 4 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.158 -1.635 19532 821 1 4 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.206 0.111 19532 822 1 4 . 1 1 34 34 ALA H H 34 8.105 8.105 7.526 0.579 19532 823 1 4 . 1 1 35 35 ASN N N 35 116.786 116.786 116.617 0.169 19532 824 1 4 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.603 0.119 19532 825 1 4 . 1 1 35 35 ASN C C 35 174.979 174.979 176.448 -1.469 19532 826 1 4 . 1 1 35 35 ASN CA C 35 52.886 52.886 54.026 -1.140 19532 827 1 4 . 1 1 35 35 ASN CB C 35 38.625 38.625 39.254 -0.629 19532 828 1 4 . 1 1 35 35 ASN H H 35 8.134 8.134 7.896 0.238 19532 829 1 4 . 1 1 36 36 GLY N N 36 108.843 108.843 104.333 4.510 19532 830 1 4 . 1 1 36 36 GLY C C 36 173.341 173.341 173.854 -0.513 19532 831 1 4 . 1 1 36 36 GLY CA C 36 44.888 44.888 44.787 0.101 19532 832 1 4 . 1 1 36 36 GLY H H 36 8.113 8.113 8.185 -0.072 19532 833 1 5 . 1 1 2 2 LYS N N 2 121.755 121.755 123.732 -1.977 19532 834 1 5 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.162 -0.191 19532 835 1 5 . 1 1 2 2 LYS C C 2 176.772 176.772 177.528 -0.756 19532 836 1 5 . 1 1 2 2 LYS CA C 2 59.061 59.061 58.397 0.664 19532 837 1 5 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.624 -0.915 19532 838 1 5 . 1 1 2 2 LYS H H 2 8.561 8.561 8.425 0.136 19532 839 1 5 . 1 1 3 3 THR N N 3 113.102 113.102 114.968 -1.866 19532 840 1 5 . 1 1 3 3 THR HA H 3 3.992 3.992 3.917 0.075 19532 841 1 5 . 1 1 3 3 THR C C 3 174.816 174.816 176.790 -1.974 19532 842 1 5 . 1 1 3 3 THR CA C 3 64.722 64.722 66.394 -1.672 19532 843 1 5 . 1 1 3 3 THR CB C 3 68.109 68.109 68.178 -0.069 19532 844 1 5 . 1 1 3 3 THR H H 3 8.021 8.021 8.249 -0.228 19532 845 1 5 . 1 1 4 4 ASN N N 4 118.987 118.987 119.825 -0.838 19532 846 1 5 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.405 0.104 19532 847 1 5 . 1 1 4 4 ASN C C 4 176.357 176.357 177.642 -1.285 19532 848 1 5 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.472 -1.327 19532 849 1 5 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.263 -0.812 19532 850 1 5 . 1 1 4 4 ASN H H 4 7.658 7.658 7.667 -0.009 19532 851 1 5 . 1 1 5 5 LEU N N 5 118.509 118.509 120.217 -1.708 19532 852 1 5 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.815 0.221 19532 853 1 5 . 1 1 5 5 LEU C C 5 177.875 177.875 178.757 -0.882 19532 854 1 5 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.354 -0.952 19532 855 1 5 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.324 -0.224 19532 856 1 5 . 1 1 5 5 LEU H H 5 7.795 7.795 7.892 -0.097 19532 857 1 5 . 1 1 6 6 GLU N N 6 116.513 116.513 117.730 -1.217 19532 858 1 5 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.921 -0.093 19532 859 1 5 . 1 1 6 6 GLU C C 6 176.892 176.892 179.363 -2.471 19532 860 1 5 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.678 -0.465 19532 861 1 5 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.259 -2.193 19532 862 1 5 . 1 1 6 6 GLU H H 6 8.053 8.053 8.027 0.026 19532 863 1 5 . 1 1 7 7 ILE N N 7 118.435 118.435 119.909 -1.474 19532 864 1 5 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.807 -0.133 19532 865 1 5 . 1 1 7 7 ILE C C 7 176.630 176.630 177.867 -1.237 19532 866 1 5 . 1 1 7 7 ILE CA C 7 64.697 64.697 64.653 0.044 19532 867 1 5 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.099 -1.287 19532 868 1 5 . 1 1 7 7 ILE H H 7 7.854 7.854 7.636 0.218 19532 869 1 5 . 1 1 8 8 ILE N N 8 119.327 119.327 121.209 -1.882 19532 870 1 5 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.547 -0.026 19532 871 1 5 . 1 1 8 8 ILE C C 8 176.772 176.772 178.223 -1.451 19532 872 1 5 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.928 -0.599 19532 873 1 5 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.627 -0.821 19532 874 1 5 . 1 1 8 8 ILE H H 8 7.727 7.727 8.164 -0.437 19532 875 1 5 . 1 1 9 9 ILE N N 9 119.384 119.384 119.834 -0.450 19532 876 1 5 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.661 0.228 19532 877 1 5 . 1 1 9 9 ILE C C 9 179.110 179.110 177.578 1.532 19532 878 1 5 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.802 -1.479 19532 879 1 5 . 1 1 9 9 ILE CB C 9 36.928 36.928 38.087 -1.159 19532 880 1 5 . 1 1 9 9 ILE H H 9 7.843 7.843 8.062 -0.219 19532 881 1 5 . 1 1 10 10 LEU N N 10 124.980 124.980 120.017 4.963 19532 882 1 5 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.850 0.121 19532 883 1 5 . 1 1 10 10 LEU C C 10 177.121 177.121 179.109 -1.988 19532 884 1 5 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.284 0.598 19532 885 1 5 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.395 -0.326 19532 886 1 5 . 1 1 10 10 LEU H H 10 8.333 8.333 7.628 0.705 19532 887 1 5 . 1 1 11 11 VAL N N 11 117.153 117.153 118.541 -1.388 19532 888 1 5 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.490 0.009 19532 889 1 5 . 1 1 11 11 VAL C C 11 177.471 177.471 177.912 -0.441 19532 890 1 5 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.893 -0.386 19532 891 1 5 . 1 1 11 11 VAL CB C 11 30.824 30.824 31.388 -0.564 19532 892 1 5 . 1 1 11 11 VAL H H 11 8.270 8.270 8.662 -0.392 19532 893 1 5 . 1 1 12 12 GLU N N 12 116.588 116.588 120.002 -3.414 19532 894 1 5 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.853 -0.121 19532 895 1 5 . 1 1 12 12 GLU C C 12 177.471 177.471 179.110 -1.639 19532 896 1 5 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.270 0.748 19532 897 1 5 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.281 -2.344 19532 898 1 5 . 1 1 12 12 GLU H H 12 9.137 9.137 7.775 1.362 19532 899 1 5 . 1 1 13 13 THR N N 13 116.250 116.250 115.629 0.621 19532 900 1 5 . 1 1 13 13 THR HA H 13 3.732 3.732 3.970 -0.238 19532 901 1 5 . 1 1 13 13 THR C C 13 174.597 174.597 176.472 -1.875 19532 902 1 5 . 1 1 13 13 THR CA C 13 67.291 67.291 66.950 0.341 19532 903 1 5 . 1 1 13 13 THR CB C 13 68.249 68.249 68.766 -0.517 19532 904 1 5 . 1 1 13 13 THR H H 13 8.527 8.527 7.882 0.645 19532 905 1 5 . 1 1 14 14 ALA N N 14 122.920 122.920 123.967 -1.047 19532 906 1 5 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.019 -0.076 19532 907 1 5 . 1 1 14 14 ALA C C 14 178.455 178.455 179.825 -1.370 19532 908 1 5 . 1 1 14 14 ALA CA C 14 54.946 54.946 55.049 -0.103 19532 909 1 5 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.132 -1.026 19532 910 1 5 . 1 1 14 14 ALA H H 14 7.810 7.810 7.687 0.123 19532 911 1 5 . 1 1 15 15 VAL N N 15 118.461 118.461 120.455 -1.994 19532 912 1 5 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.712 -0.190 19532 913 1 5 . 1 1 15 15 VAL C C 15 177.318 177.318 178.117 -0.799 19532 914 1 5 . 1 1 15 15 VAL CA C 15 66.820 66.820 66.847 -0.027 19532 915 1 5 . 1 1 15 15 VAL CB C 15 30.969 30.969 31.837 -0.868 19532 916 1 5 . 1 1 15 15 VAL H H 15 8.279 8.279 8.267 0.012 19532 917 1 5 . 1 1 16 16 ILE N N 16 120.977 120.977 119.594 1.383 19532 918 1 5 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.763 0.196 19532 919 1 5 . 1 1 16 16 ILE C C 16 179.667 179.667 177.928 1.739 19532 920 1 5 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.418 0.095 19532 921 1 5 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.931 -0.300 19532 922 1 5 . 1 1 16 16 ILE H H 16 8.513 8.513 7.923 0.590 19532 923 1 5 . 1 1 17 17 ALA N N 17 122.195 122.195 121.583 0.612 19532 924 1 5 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.109 -0.024 19532 925 1 5 . 1 1 17 17 ALA C C 17 177.701 177.701 179.914 -2.213 19532 926 1 5 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.389 -0.499 19532 927 1 5 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.247 -0.895 19532 928 1 5 . 1 1 17 17 ALA H H 17 8.041 8.041 7.781 0.260 19532 929 1 5 . 1 1 18 18 MET N N 18 117.769 117.769 117.928 -0.159 19532 930 1 5 . 1 1 18 18 MET HA H 18 4.240 4.240 4.356 -0.116 19532 931 1 5 . 1 1 18 18 MET C C 18 177.864 177.864 178.826 -0.962 19532 932 1 5 . 1 1 18 18 MET CA C 18 58.887 58.887 59.571 -0.683 19532 933 1 5 . 1 1 18 18 MET CB C 18 32.366 32.366 32.391 -0.025 19532 934 1 5 . 1 1 18 18 MET H H 18 8.631 8.631 8.377 0.254 19532 935 1 5 . 1 1 19 19 GLU N N 19 115.854 115.854 120.444 -4.590 19532 936 1 5 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.948 -0.043 19532 937 1 5 . 1 1 19 19 GLU C C 19 176.531 176.531 179.176 -2.645 19532 938 1 5 . 1 1 19 19 GLU CA C 19 59.333 59.333 59.446 -0.113 19532 939 1 5 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.352 -2.195 19532 940 1 5 . 1 1 19 19 GLU H H 19 8.925 8.925 8.198 0.727 19532 941 1 5 . 1 1 20 20 PHE N N 20 119.967 119.967 119.327 0.640 19532 942 1 5 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.317 -0.139 19532 943 1 5 . 1 1 20 20 PHE C C 20 176.051 176.051 176.975 -0.924 19532 944 1 5 . 1 1 20 20 PHE CA C 20 61.141 61.141 60.388 0.753 19532 945 1 5 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.144 -0.913 19532 946 1 5 . 1 1 20 20 PHE H H 20 8.114 8.114 8.123 -0.009 19532 947 1 5 . 1 1 21 21 TRP N N 21 119.487 119.487 121.555 -2.068 19532 948 1 5 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.121 0.068 19532 949 1 5 . 1 1 21 21 TRP C C 21 176.652 176.652 177.483 -0.831 19532 950 1 5 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.690 -0.317 19532 951 1 5 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.127 -0.906 19532 952 1 5 . 1 1 21 21 TRP H H 21 8.581 8.581 8.187 0.394 19532 953 1 5 . 1 1 22 22 LEU N N 22 116.968 116.968 120.460 -3.492 19532 954 1 5 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.814 0.935 19532 955 1 5 . 1 1 22 22 LEU C C 22 177.548 177.548 178.644 -1.096 19532 956 1 5 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.812 -0.307 19532 957 1 5 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.127 0.202 19532 958 1 5 . 1 1 22 22 LEU H H 22 8.140 8.140 8.433 -0.293 19532 959 1 5 . 1 1 23 23 LEU N N 23 118.881 118.881 118.853 0.028 19532 960 1 5 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.762 0.000 19532 961 1 5 . 1 1 23 23 LEU C C 23 177.559 177.559 179.307 -1.748 19532 962 1 5 . 1 1 23 23 LEU CA C 23 57.922 57.922 58.028 -0.106 19532 963 1 5 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.791 -0.440 19532 964 1 5 . 1 1 23 23 LEU H H 23 8.109 8.109 7.654 0.455 19532 965 1 5 . 1 1 24 24 LEU N N 24 118.480 118.480 119.150 -0.670 19532 966 1 5 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.674 0.033 19532 967 1 5 . 1 1 24 24 LEU C C 24 178.138 178.138 178.590 -0.452 19532 968 1 5 . 1 1 24 24 LEU CA C 24 57.727 57.727 58.006 -0.279 19532 969 1 5 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.498 -0.795 19532 970 1 5 . 1 1 24 24 LEU H H 24 8.175 8.175 7.871 0.304 19532 971 1 5 . 1 1 25 25 VAL N N 25 117.639 117.639 119.526 -1.887 19532 972 1 5 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.398 0.027 19532 973 1 5 . 1 1 25 25 VAL C C 25 177.919 177.919 177.620 0.299 19532 974 1 5 . 1 1 25 25 VAL CA C 25 66.412 66.412 67.352 -0.940 19532 975 1 5 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.725 -1.127 19532 976 1 5 . 1 1 25 25 VAL H H 25 8.247 8.247 8.065 0.182 19532 977 1 5 . 1 1 26 26 ILE N N 26 119.157 119.157 118.612 0.545 19532 978 1 5 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.619 -0.027 19532 979 1 5 . 1 1 26 26 ILE C C 26 178.973 178.973 178.595 0.378 19532 980 1 5 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.161 -0.451 19532 981 1 5 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.221 -0.278 19532 982 1 5 . 1 1 26 26 ILE H H 26 8.202 8.202 8.152 0.050 19532 983 1 5 . 1 1 27 27 ILE N N 27 123.208 123.208 120.510 2.698 19532 984 1 5 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.686 -0.140 19532 985 1 5 . 1 1 27 27 ILE C C 27 177.416 177.416 177.555 -0.139 19532 986 1 5 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.362 -0.001 19532 987 1 5 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.984 -1.123 19532 988 1 5 . 1 1 27 27 ILE H H 27 8.744 8.744 7.811 0.933 19532 989 1 5 . 1 1 28 28 LEU N N 28 120.044 120.044 121.088 -1.044 19532 990 1 5 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.892 0.081 19532 991 1 5 . 1 1 28 28 LEU C C 28 178.771 178.771 178.864 -0.093 19532 992 1 5 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.570 -0.995 19532 993 1 5 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.685 -1.036 19532 994 1 5 . 1 1 28 28 LEU H H 28 8.752 8.752 8.322 0.430 19532 995 1 5 . 1 1 29 29 ARG N N 29 116.435 116.435 118.066 -1.631 19532 996 1 5 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.946 0.100 19532 997 1 5 . 1 1 29 29 ARG C C 29 177.555 177.555 178.903 -1.348 19532 998 1 5 . 1 1 29 29 ARG CA C 29 57.662 57.662 59.858 -2.196 19532 999 1 5 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.897 -0.365 19532 1000 1 5 . 1 1 29 29 ARG H H 29 8.085 8.085 8.714 -0.629 19532 1001 1 5 . 1 1 30 30 THR N N 30 113.598 113.598 116.065 -2.467 19532 1002 1 5 . 1 1 30 30 THR HA H 30 4.078 4.078 4.022 0.056 19532 1003 1 5 . 1 1 30 30 THR C C 30 175.493 175.493 176.471 -0.978 19532 1004 1 5 . 1 1 30 30 THR CA C 30 64.777 64.777 66.211 -1.434 19532 1005 1 5 . 1 1 30 30 THR CB C 30 68.437 68.437 68.285 0.152 19532 1006 1 5 . 1 1 30 30 THR H H 30 7.874 7.874 7.558 0.316 19532 1007 1 5 . 1 1 31 31 VAL N N 31 120.483 120.483 120.395 0.088 19532 1008 1 5 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.583 0.283 19532 1009 1 5 . 1 1 31 31 VAL C C 31 176.313 176.313 178.557 -2.244 19532 1010 1 5 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.433 -2.209 19532 1011 1 5 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.346 -0.065 19532 1012 1 5 . 1 1 31 31 VAL H H 31 8.197 8.197 8.131 0.066 19532 1013 1 5 . 1 1 32 32 LYS N N 32 120.587 120.587 119.044 1.543 19532 1014 1 5 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.054 0.146 19532 1015 1 5 . 1 1 32 32 LYS C C 32 176.794 176.794 178.076 -1.282 19532 1016 1 5 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.571 -2.608 19532 1017 1 5 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.176 -0.450 19532 1018 1 5 . 1 1 32 32 LYS H H 32 7.954 7.954 8.227 -0.273 19532 1019 1 5 . 1 1 33 33 ARG N N 33 119.980 119.980 118.993 0.987 19532 1020 1 5 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.021 0.204 19532 1021 1 5 . 1 1 33 33 ARG C C 33 176.313 176.313 177.507 -1.194 19532 1022 1 5 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.738 -2.474 19532 1023 1 5 . 1 1 33 33 ARG CB C 33 29.740 29.740 29.087 0.653 19532 1024 1 5 . 1 1 33 33 ARG H H 33 7.877 7.877 8.002 -0.125 19532 1025 1 5 . 1 1 34 34 ALA N N 34 123.682 123.682 119.362 4.320 19532 1026 1 5 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.178 0.099 19532 1027 1 5 . 1 1 34 34 ALA C C 34 177.085 177.085 179.348 -2.263 19532 1028 1 5 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.280 -1.757 19532 1029 1 5 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.814 -0.497 19532 1030 1 5 . 1 1 34 34 ALA H H 34 8.105 8.105 7.427 0.678 19532 1031 1 5 . 1 1 35 35 ASN N N 35 116.786 116.786 117.545 -0.759 19532 1032 1 5 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.634 0.088 19532 1033 1 5 . 1 1 35 35 ASN C C 35 174.979 174.979 177.408 -2.429 19532 1034 1 5 . 1 1 35 35 ASN CA C 35 52.886 52.886 54.691 -1.805 19532 1035 1 5 . 1 1 35 35 ASN CB C 35 38.625 38.625 38.536 0.089 19532 1036 1 5 . 1 1 35 35 ASN H H 35 8.134 8.134 8.325 -0.191 19532 1037 1 5 . 1 1 36 36 GLY N N 36 108.843 108.843 106.533 2.310 19532 1038 1 5 . 1 1 36 36 GLY C C 36 173.341 173.341 174.443 -1.102 19532 1039 1 5 . 1 1 36 36 GLY CA C 36 44.888 44.888 45.480 -0.592 19532 1040 1 5 . 1 1 36 36 GLY H H 36 8.113 8.113 7.888 0.225 19532 1041 1 6 . 1 1 2 2 LYS N N 2 121.755 121.755 124.372 -2.617 19532 1042 1 6 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.207 -0.236 19532 1043 1 6 . 1 1 2 2 LYS C C 2 176.772 176.772 177.965 -1.193 19532 1044 1 6 . 1 1 2 2 LYS CA C 2 59.061 59.061 58.278 0.783 19532 1045 1 6 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.764 -1.054 19532 1046 1 6 . 1 1 2 2 LYS H H 2 8.561 8.561 8.625 -0.064 19532 1047 1 6 . 1 1 3 3 THR N N 3 113.102 113.102 115.849 -2.747 19532 1048 1 6 . 1 1 3 3 THR HA H 3 3.992 3.992 3.955 0.037 19532 1049 1 6 . 1 1 3 3 THR C C 3 174.816 174.816 176.616 -1.800 19532 1050 1 6 . 1 1 3 3 THR CA C 3 64.722 64.722 66.045 -1.323 19532 1051 1 6 . 1 1 3 3 THR CB C 3 68.109 68.109 68.040 0.070 19532 1052 1 6 . 1 1 3 3 THR H H 3 8.021 8.021 8.304 -0.283 19532 1053 1 6 . 1 1 4 4 ASN N N 4 118.987 118.987 119.782 -0.795 19532 1054 1 6 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.426 0.083 19532 1055 1 6 . 1 1 4 4 ASN C C 4 176.357 176.357 177.735 -1.378 19532 1056 1 6 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.203 -1.058 19532 1057 1 6 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.181 -0.730 19532 1058 1 6 . 1 1 4 4 ASN H H 4 7.658 7.658 7.750 -0.092 19532 1059 1 6 . 1 1 5 5 LEU N N 5 118.509 118.509 120.357 -1.848 19532 1060 1 6 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.870 0.166 19532 1061 1 6 . 1 1 5 5 LEU C C 5 177.875 177.875 178.779 -0.904 19532 1062 1 6 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.315 -0.912 19532 1063 1 6 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.424 -0.324 19532 1064 1 6 . 1 1 5 5 LEU H H 5 7.795 7.795 7.841 -0.046 19532 1065 1 6 . 1 1 6 6 GLU N N 6 116.513 116.513 118.602 -2.089 19532 1066 1 6 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.899 -0.071 19532 1067 1 6 . 1 1 6 6 GLU C C 6 176.892 176.892 179.546 -2.654 19532 1068 1 6 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.683 -0.470 19532 1069 1 6 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.348 -2.283 19532 1070 1 6 . 1 1 6 6 GLU H H 6 8.053 8.053 7.965 0.088 19532 1071 1 6 . 1 1 7 7 ILE N N 7 118.435 118.435 119.718 -1.283 19532 1072 1 6 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.823 -0.149 19532 1073 1 6 . 1 1 7 7 ILE C C 7 176.630 176.630 178.008 -1.378 19532 1074 1 6 . 1 1 7 7 ILE CA C 7 64.697 64.697 65.017 -0.320 19532 1075 1 6 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.096 -1.284 19532 1076 1 6 . 1 1 7 7 ILE H H 7 7.854 7.854 7.858 -0.004 19532 1077 1 6 . 1 1 8 8 ILE N N 8 119.327 119.327 121.097 -1.770 19532 1078 1 6 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.557 -0.036 19532 1079 1 6 . 1 1 8 8 ILE C C 8 176.772 176.772 178.096 -1.324 19532 1080 1 6 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.831 -0.502 19532 1081 1 6 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.531 -0.725 19532 1082 1 6 . 1 1 8 8 ILE H H 8 7.727 7.727 8.193 -0.466 19532 1083 1 6 . 1 1 9 9 ILE N N 9 119.384 119.384 119.930 -0.546 19532 1084 1 6 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.649 0.240 19532 1085 1 6 . 1 1 9 9 ILE C C 9 179.110 179.110 177.827 1.283 19532 1086 1 6 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.387 -1.064 19532 1087 1 6 . 1 1 9 9 ILE CB C 9 36.928 36.928 37.653 -0.724 19532 1088 1 6 . 1 1 9 9 ILE H H 9 7.843 7.843 8.293 -0.450 19532 1089 1 6 . 1 1 10 10 LEU N N 10 124.980 124.980 120.019 4.961 19532 1090 1 6 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.898 0.073 19532 1091 1 6 . 1 1 10 10 LEU C C 10 177.121 177.121 179.354 -2.233 19532 1092 1 6 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.090 0.792 19532 1093 1 6 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.253 -0.184 19532 1094 1 6 . 1 1 10 10 LEU H H 10 8.333 8.333 7.690 0.643 19532 1095 1 6 . 1 1 11 11 VAL N N 11 117.153 117.153 118.547 -1.394 19532 1096 1 6 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.604 -0.105 19532 1097 1 6 . 1 1 11 11 VAL C C 11 177.471 177.471 178.259 -0.788 19532 1098 1 6 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.422 0.085 19532 1099 1 6 . 1 1 11 11 VAL CB C 11 30.824 30.824 30.741 0.083 19532 1100 1 6 . 1 1 11 11 VAL H H 11 8.270 8.270 8.601 -0.331 19532 1101 1 6 . 1 1 12 12 GLU N N 12 116.588 116.588 119.940 -3.352 19532 1102 1 6 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.939 -0.207 19532 1103 1 6 . 1 1 12 12 GLU C C 12 177.471 177.471 179.134 -1.663 19532 1104 1 6 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.069 0.949 19532 1105 1 6 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.349 -2.412 19532 1106 1 6 . 1 1 12 12 GLU H H 12 9.137 9.137 7.786 1.351 19532 1107 1 6 . 1 1 13 13 THR N N 13 116.250 116.250 115.656 0.594 19532 1108 1 6 . 1 1 13 13 THR HA H 13 3.732 3.732 3.960 -0.228 19532 1109 1 6 . 1 1 13 13 THR C C 13 174.597 174.597 176.475 -1.878 19532 1110 1 6 . 1 1 13 13 THR CA C 13 67.291 67.291 66.942 0.349 19532 1111 1 6 . 1 1 13 13 THR CB C 13 68.249 68.249 68.754 -0.506 19532 1112 1 6 . 1 1 13 13 THR H H 13 8.527 8.527 7.875 0.652 19532 1113 1 6 . 1 1 14 14 ALA N N 14 122.920 122.920 123.913 -0.993 19532 1114 1 6 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.014 -0.071 19532 1115 1 6 . 1 1 14 14 ALA C C 14 178.455 178.455 179.822 -1.367 19532 1116 1 6 . 1 1 14 14 ALA CA C 14 54.946 54.946 55.050 -0.103 19532 1117 1 6 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.134 -1.028 19532 1118 1 6 . 1 1 14 14 ALA H H 14 7.810 7.810 7.683 0.127 19532 1119 1 6 . 1 1 15 15 VAL N N 15 118.461 118.461 120.480 -2.019 19532 1120 1 6 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.711 -0.189 19532 1121 1 6 . 1 1 15 15 VAL C C 15 177.318 177.318 178.116 -0.798 19532 1122 1 6 . 1 1 15 15 VAL CA C 15 66.820 66.820 66.835 -0.015 19532 1123 1 6 . 1 1 15 15 VAL CB C 15 30.969 30.969 31.831 -0.862 19532 1124 1 6 . 1 1 15 15 VAL H H 15 8.279 8.279 8.224 0.055 19532 1125 1 6 . 1 1 16 16 ILE N N 16 120.977 120.977 119.642 1.335 19532 1126 1 6 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.625 0.334 19532 1127 1 6 . 1 1 16 16 ILE C C 16 179.667 179.667 177.951 1.716 19532 1128 1 6 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.324 0.189 19532 1129 1 6 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.852 -0.222 19532 1130 1 6 . 1 1 16 16 ILE H H 16 8.513 8.513 7.977 0.536 19532 1131 1 6 . 1 1 17 17 ALA N N 17 122.195 122.195 121.529 0.666 19532 1132 1 6 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.085 -0.000 19532 1133 1 6 . 1 1 17 17 ALA C C 17 177.701 177.701 179.930 -2.229 19532 1134 1 6 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.358 -0.468 19532 1135 1 6 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.252 -0.900 19532 1136 1 6 . 1 1 17 17 ALA H H 17 8.041 8.041 7.769 0.272 19532 1137 1 6 . 1 1 18 18 MET N N 18 117.769 117.769 117.771 -0.002 19532 1138 1 6 . 1 1 18 18 MET HA H 18 4.240 4.240 4.404 -0.164 19532 1139 1 6 . 1 1 18 18 MET C C 18 177.864 177.864 178.844 -0.980 19532 1140 1 6 . 1 1 18 18 MET CA C 18 58.887 58.887 59.458 -0.571 19532 1141 1 6 . 1 1 18 18 MET CB C 18 32.366 32.366 32.285 0.082 19532 1142 1 6 . 1 1 18 18 MET H H 18 8.631 8.631 8.373 0.258 19532 1143 1 6 . 1 1 19 19 GLU N N 19 115.854 115.854 120.066 -4.212 19532 1144 1 6 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.979 -0.074 19532 1145 1 6 . 1 1 19 19 GLU C C 19 176.531 176.531 179.234 -2.703 19532 1146 1 6 . 1 1 19 19 GLU CA C 19 59.333 59.333 60.008 -0.675 19532 1147 1 6 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.367 -2.210 19532 1148 1 6 . 1 1 19 19 GLU H H 19 8.925 8.925 8.187 0.738 19532 1149 1 6 . 1 1 20 20 PHE N N 20 119.967 119.967 119.118 0.849 19532 1150 1 6 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.315 -0.137 19532 1151 1 6 . 1 1 20 20 PHE C C 20 176.051 176.051 177.272 -1.221 19532 1152 1 6 . 1 1 20 20 PHE CA C 20 61.141 61.141 61.022 0.119 19532 1153 1 6 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.141 -0.910 19532 1154 1 6 . 1 1 20 20 PHE H H 20 8.114 8.114 8.113 0.001 19532 1155 1 6 . 1 1 21 21 TRP N N 21 119.487 119.487 121.610 -2.123 19532 1156 1 6 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.250 -0.061 19532 1157 1 6 . 1 1 21 21 TRP C C 21 176.652 176.652 177.450 -0.798 19532 1158 1 6 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.746 -0.373 19532 1159 1 6 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.193 -0.972 19532 1160 1 6 . 1 1 21 21 TRP H H 21 8.581 8.581 8.245 0.336 19532 1161 1 6 . 1 1 22 22 LEU N N 22 116.968 116.968 120.556 -3.588 19532 1162 1 6 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.836 0.913 19532 1163 1 6 . 1 1 22 22 LEU C C 22 177.548 177.548 178.618 -1.070 19532 1164 1 6 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.829 -0.324 19532 1165 1 6 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.140 0.189 19532 1166 1 6 . 1 1 22 22 LEU H H 22 8.140 8.140 8.488 -0.348 19532 1167 1 6 . 1 1 23 23 LEU N N 23 118.881 118.881 118.810 0.071 19532 1168 1 6 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.738 0.024 19532 1169 1 6 . 1 1 23 23 LEU C C 23 177.559 177.559 179.293 -1.734 19532 1170 1 6 . 1 1 23 23 LEU CA C 23 57.922 57.922 57.982 -0.060 19532 1171 1 6 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.727 -0.376 19532 1172 1 6 . 1 1 23 23 LEU H H 23 8.109 8.109 7.610 0.499 19532 1173 1 6 . 1 1 24 24 LEU N N 24 118.480 118.480 119.061 -0.581 19532 1174 1 6 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.642 0.065 19532 1175 1 6 . 1 1 24 24 LEU C C 24 178.138 178.138 178.559 -0.421 19532 1176 1 6 . 1 1 24 24 LEU CA C 24 57.727 57.727 57.941 -0.214 19532 1177 1 6 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.577 -0.874 19532 1178 1 6 . 1 1 24 24 LEU H H 24 8.175 8.175 7.746 0.429 19532 1179 1 6 . 1 1 25 25 VAL N N 25 117.639 117.639 119.643 -2.004 19532 1180 1 6 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.412 0.013 19532 1181 1 6 . 1 1 25 25 VAL C C 25 177.919 177.919 177.602 0.317 19532 1182 1 6 . 1 1 25 25 VAL CA C 25 66.412 66.412 67.435 -1.023 19532 1183 1 6 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.726 -1.128 19532 1184 1 6 . 1 1 25 25 VAL H H 25 8.247 8.247 8.058 0.189 19532 1185 1 6 . 1 1 26 26 ILE N N 26 119.157 119.157 118.557 0.600 19532 1186 1 6 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.569 0.023 19532 1187 1 6 . 1 1 26 26 ILE C C 26 178.973 178.973 178.135 0.838 19532 1188 1 6 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.201 -0.491 19532 1189 1 6 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.170 -0.227 19532 1190 1 6 . 1 1 26 26 ILE H H 26 8.202 8.202 8.175 0.027 19532 1191 1 6 . 1 1 27 27 ILE N N 27 123.208 123.208 120.079 3.129 19532 1192 1 6 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.633 -0.087 19532 1193 1 6 . 1 1 27 27 ILE C C 27 177.416 177.416 177.789 -0.373 19532 1194 1 6 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.519 -0.158 19532 1195 1 6 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.900 -1.039 19532 1196 1 6 . 1 1 27 27 ILE H H 27 8.744 8.744 7.729 1.016 19532 1197 1 6 . 1 1 28 28 LEU N N 28 120.044 120.044 121.068 -1.024 19532 1198 1 6 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.885 0.088 19532 1199 1 6 . 1 1 28 28 LEU C C 28 178.771 178.771 178.886 -0.115 19532 1200 1 6 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.577 -1.002 19532 1201 1 6 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.688 -1.039 19532 1202 1 6 . 1 1 28 28 LEU H H 28 8.752 8.752 8.315 0.437 19532 1203 1 6 . 1 1 29 29 ARG N N 29 116.435 116.435 117.971 -1.536 19532 1204 1 6 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.952 0.094 19532 1205 1 6 . 1 1 29 29 ARG C C 29 177.555 177.555 178.976 -1.421 19532 1206 1 6 . 1 1 29 29 ARG CA C 29 57.662 57.662 59.785 -2.123 19532 1207 1 6 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.906 -0.374 19532 1208 1 6 . 1 1 29 29 ARG H H 29 8.085 8.085 8.753 -0.668 19532 1209 1 6 . 1 1 30 30 THR N N 30 113.598 113.598 116.368 -2.770 19532 1210 1 6 . 1 1 30 30 THR HA H 30 4.078 4.078 3.986 0.092 19532 1211 1 6 . 1 1 30 30 THR C C 30 175.493 175.493 176.620 -1.127 19532 1212 1 6 . 1 1 30 30 THR CA C 30 64.777 64.777 66.728 -1.951 19532 1213 1 6 . 1 1 30 30 THR CB C 30 68.437 68.437 68.688 -0.251 19532 1214 1 6 . 1 1 30 30 THR H H 30 7.874 7.874 7.507 0.367 19532 1215 1 6 . 1 1 31 31 VAL N N 31 120.483 120.483 120.910 -0.427 19532 1216 1 6 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.582 0.284 19532 1217 1 6 . 1 1 31 31 VAL C C 31 176.313 176.313 178.122 -1.809 19532 1218 1 6 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.583 -2.359 19532 1219 1 6 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.280 0.001 19532 1220 1 6 . 1 1 31 31 VAL H H 31 8.197 8.197 8.197 0.000 19532 1221 1 6 . 1 1 32 32 LYS N N 32 120.587 120.587 118.395 2.192 19532 1222 1 6 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.012 0.188 19532 1223 1 6 . 1 1 32 32 LYS C C 32 176.794 176.794 178.348 -1.554 19532 1224 1 6 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.600 -2.637 19532 1225 1 6 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.248 -0.522 19532 1226 1 6 . 1 1 32 32 LYS H H 32 7.954 7.954 8.119 -0.165 19532 1227 1 6 . 1 1 33 33 ARG N N 33 119.980 119.980 118.601 1.379 19532 1228 1 6 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.008 0.217 19532 1229 1 6 . 1 1 33 33 ARG C C 33 176.313 176.313 177.867 -1.554 19532 1230 1 6 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.821 -2.557 19532 1231 1 6 . 1 1 33 33 ARG CB C 33 29.740 29.740 29.108 0.632 19532 1232 1 6 . 1 1 33 33 ARG H H 33 7.877 7.877 7.875 0.002 19532 1233 1 6 . 1 1 34 34 ALA N N 34 123.682 123.682 120.547 3.135 19532 1234 1 6 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.208 0.069 19532 1235 1 6 . 1 1 34 34 ALA C C 34 177.085 177.085 179.805 -2.720 19532 1236 1 6 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.493 -1.970 19532 1237 1 6 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.427 -0.110 19532 1238 1 6 . 1 1 34 34 ALA H H 34 8.105 8.105 7.587 0.518 19532 1239 1 6 . 1 1 35 35 ASN N N 35 116.786 116.786 117.067 -0.281 19532 1240 1 6 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.506 0.216 19532 1241 1 6 . 1 1 35 35 ASN C C 35 174.979 174.979 177.179 -2.200 19532 1242 1 6 . 1 1 35 35 ASN CA C 35 52.886 52.886 54.498 -1.612 19532 1243 1 6 . 1 1 35 35 ASN CB C 35 38.625 38.625 38.468 0.157 19532 1244 1 6 . 1 1 35 35 ASN H H 35 8.134 8.134 8.042 0.092 19532 1245 1 6 . 1 1 36 36 GLY N N 36 108.843 108.843 106.437 2.406 19532 1246 1 6 . 1 1 36 36 GLY C C 36 173.341 173.341 174.229 -0.888 19532 1247 1 6 . 1 1 36 36 GLY CA C 36 44.888 44.888 45.568 -0.680 19532 1248 1 6 . 1 1 36 36 GLY H H 36 8.113 8.113 7.702 0.411 19532 1249 1 7 . 1 1 2 2 LYS N N 2 121.755 121.755 124.092 -2.337 19532 1250 1 7 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.197 -0.226 19532 1251 1 7 . 1 1 2 2 LYS C C 2 176.772 176.772 177.985 -1.213 19532 1252 1 7 . 1 1 2 2 LYS CA C 2 59.061 59.061 58.162 0.899 19532 1253 1 7 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.719 -1.010 19532 1254 1 7 . 1 1 2 2 LYS H H 2 8.561 8.561 8.608 -0.047 19532 1255 1 7 . 1 1 3 3 THR N N 3 113.102 113.102 115.597 -2.495 19532 1256 1 7 . 1 1 3 3 THR HA H 3 3.992 3.992 3.914 0.078 19532 1257 1 7 . 1 1 3 3 THR C C 3 174.816 174.816 176.463 -1.647 19532 1258 1 7 . 1 1 3 3 THR CA C 3 64.722 64.722 66.077 -1.355 19532 1259 1 7 . 1 1 3 3 THR CB C 3 68.109 68.109 67.980 0.130 19532 1260 1 7 . 1 1 3 3 THR H H 3 8.021 8.021 8.313 -0.292 19532 1261 1 7 . 1 1 4 4 ASN N N 4 118.987 118.987 119.735 -0.748 19532 1262 1 7 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.401 0.108 19532 1263 1 7 . 1 1 4 4 ASN C C 4 176.357 176.357 177.808 -1.451 19532 1264 1 7 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.180 -1.035 19532 1265 1 7 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.340 -0.889 19532 1266 1 7 . 1 1 4 4 ASN H H 4 7.658 7.658 7.725 -0.067 19532 1267 1 7 . 1 1 5 5 LEU N N 5 118.509 118.509 120.152 -1.643 19532 1268 1 7 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.918 0.118 19532 1269 1 7 . 1 1 5 5 LEU C C 5 177.875 177.875 178.850 -0.975 19532 1270 1 7 . 1 1 5 5 LEU CA C 5 57.402 57.402 57.942 -0.540 19532 1271 1 7 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.458 -0.358 19532 1272 1 7 . 1 1 5 5 LEU H H 5 7.795 7.795 7.551 0.244 19532 1273 1 7 . 1 1 6 6 GLU N N 6 116.513 116.513 118.872 -2.359 19532 1274 1 7 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.904 -0.076 19532 1275 1 7 . 1 1 6 6 GLU C C 6 176.892 176.892 179.584 -2.692 19532 1276 1 7 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.722 -0.509 19532 1277 1 7 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.306 -2.241 19532 1278 1 7 . 1 1 6 6 GLU H H 6 8.053 8.053 8.374 -0.321 19532 1279 1 7 . 1 1 7 7 ILE N N 7 118.435 118.435 119.549 -1.114 19532 1280 1 7 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.856 -0.182 19532 1281 1 7 . 1 1 7 7 ILE C C 7 176.630 176.630 177.903 -1.273 19532 1282 1 7 . 1 1 7 7 ILE CA C 7 64.697 64.697 64.954 -0.258 19532 1283 1 7 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.159 -1.347 19532 1284 1 7 . 1 1 7 7 ILE H H 7 7.854 7.854 7.843 0.011 19532 1285 1 7 . 1 1 8 8 ILE N N 8 119.327 119.327 121.571 -2.244 19532 1286 1 7 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.590 -0.069 19532 1287 1 7 . 1 1 8 8 ILE C C 8 176.772 176.772 178.162 -1.390 19532 1288 1 7 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.979 -0.650 19532 1289 1 7 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.748 -0.942 19532 1290 1 7 . 1 1 8 8 ILE H H 8 7.727 7.727 7.890 -0.163 19532 1291 1 7 . 1 1 9 9 ILE N N 9 119.384 119.384 120.179 -0.795 19532 1292 1 7 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.658 0.231 19532 1293 1 7 . 1 1 9 9 ILE C C 9 179.110 179.110 177.715 1.395 19532 1294 1 7 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.882 -1.559 19532 1295 1 7 . 1 1 9 9 ILE CB C 9 36.928 36.928 38.176 -1.248 19532 1296 1 7 . 1 1 9 9 ILE H H 9 7.843 7.843 8.403 -0.560 19532 1297 1 7 . 1 1 10 10 LEU N N 10 124.980 124.980 120.175 4.805 19532 1298 1 7 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.865 0.106 19532 1299 1 7 . 1 1 10 10 LEU C C 10 177.121 177.121 179.151 -2.030 19532 1300 1 7 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.210 0.672 19532 1301 1 7 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.369 -0.300 19532 1302 1 7 . 1 1 10 10 LEU H H 10 8.333 8.333 7.645 0.688 19532 1303 1 7 . 1 1 11 11 VAL N N 11 117.153 117.153 118.197 -1.044 19532 1304 1 7 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.546 -0.047 19532 1305 1 7 . 1 1 11 11 VAL C C 11 177.471 177.471 178.242 -0.771 19532 1306 1 7 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.338 0.169 19532 1307 1 7 . 1 1 11 11 VAL CB C 11 30.824 30.824 30.753 0.071 19532 1308 1 7 . 1 1 11 11 VAL H H 11 8.270 8.270 8.620 -0.350 19532 1309 1 7 . 1 1 12 12 GLU N N 12 116.588 116.588 119.964 -3.376 19532 1310 1 7 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.890 -0.158 19532 1311 1 7 . 1 1 12 12 GLU C C 12 177.471 177.471 179.213 -1.742 19532 1312 1 7 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.259 0.759 19532 1313 1 7 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.321 -2.384 19532 1314 1 7 . 1 1 12 12 GLU H H 12 9.137 9.137 7.812 1.325 19532 1315 1 7 . 1 1 13 13 THR N N 13 116.250 116.250 115.832 0.418 19532 1316 1 7 . 1 1 13 13 THR HA H 13 3.732 3.732 3.987 -0.255 19532 1317 1 7 . 1 1 13 13 THR C C 13 174.597 174.597 176.435 -1.838 19532 1318 1 7 . 1 1 13 13 THR CA C 13 67.291 67.291 66.310 0.981 19532 1319 1 7 . 1 1 13 13 THR CB C 13 68.249 68.249 68.286 -0.037 19532 1320 1 7 . 1 1 13 13 THR H H 13 8.527 8.527 7.964 0.563 19532 1321 1 7 . 1 1 14 14 ALA N N 14 122.920 122.920 123.356 -0.436 19532 1322 1 7 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.061 -0.118 19532 1323 1 7 . 1 1 14 14 ALA C C 14 178.455 178.455 179.995 -1.540 19532 1324 1 7 . 1 1 14 14 ALA CA C 14 54.946 54.946 54.915 0.031 19532 1325 1 7 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.047 -0.941 19532 1326 1 7 . 1 1 14 14 ALA H H 14 7.810 7.810 7.751 0.059 19532 1327 1 7 . 1 1 15 15 VAL N N 15 118.461 118.461 120.559 -2.098 19532 1328 1 7 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.812 -0.290 19532 1329 1 7 . 1 1 15 15 VAL C C 15 177.318 177.318 178.445 -1.127 19532 1330 1 7 . 1 1 15 15 VAL CA C 15 66.820 66.820 65.799 1.021 19532 1331 1 7 . 1 1 15 15 VAL CB C 15 30.969 30.969 31.436 -0.467 19532 1332 1 7 . 1 1 15 15 VAL H H 15 8.279 8.279 8.237 0.042 19532 1333 1 7 . 1 1 16 16 ILE N N 16 120.977 120.977 120.287 0.690 19532 1334 1 7 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.787 0.172 19532 1335 1 7 . 1 1 16 16 ILE C C 16 179.667 179.667 178.157 1.510 19532 1336 1 7 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.553 -0.040 19532 1337 1 7 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.827 -0.196 19532 1338 1 7 . 1 1 16 16 ILE H H 16 8.513 8.513 8.307 0.206 19532 1339 1 7 . 1 1 17 17 ALA N N 17 122.195 122.195 121.226 0.969 19532 1340 1 7 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.164 -0.079 19532 1341 1 7 . 1 1 17 17 ALA C C 17 177.701 177.701 179.919 -2.218 19532 1342 1 7 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.248 -0.358 19532 1343 1 7 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.275 -0.923 19532 1344 1 7 . 1 1 17 17 ALA H H 17 8.041 8.041 7.871 0.170 19532 1345 1 7 . 1 1 18 18 MET N N 18 117.769 117.769 118.600 -0.831 19532 1346 1 7 . 1 1 18 18 MET HA H 18 4.240 4.240 4.373 -0.133 19532 1347 1 7 . 1 1 18 18 MET C C 18 177.864 177.864 178.732 -0.868 19532 1348 1 7 . 1 1 18 18 MET CA C 18 58.887 58.887 59.752 -0.865 19532 1349 1 7 . 1 1 18 18 MET CB C 18 32.366 32.366 32.656 -0.289 19532 1350 1 7 . 1 1 18 18 MET H H 18 8.631 8.631 8.377 0.254 19532 1351 1 7 . 1 1 19 19 GLU N N 19 115.854 115.854 120.010 -4.156 19532 1352 1 7 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.928 -0.023 19532 1353 1 7 . 1 1 19 19 GLU C C 19 176.531 176.531 179.185 -2.654 19532 1354 1 7 . 1 1 19 19 GLU CA C 19 59.333 59.333 59.422 -0.090 19532 1355 1 7 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.355 -2.198 19532 1356 1 7 . 1 1 19 19 GLU H H 19 8.925 8.925 8.264 0.661 19532 1357 1 7 . 1 1 20 20 PHE N N 20 119.967 119.967 119.367 0.600 19532 1358 1 7 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.305 -0.127 19532 1359 1 7 . 1 1 20 20 PHE C C 20 176.051 176.051 177.046 -0.995 19532 1360 1 7 . 1 1 20 20 PHE CA C 20 61.141 61.141 60.291 0.850 19532 1361 1 7 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.223 -0.992 19532 1362 1 7 . 1 1 20 20 PHE H H 20 8.114 8.114 8.097 0.017 19532 1363 1 7 . 1 1 21 21 TRP N N 21 119.487 119.487 121.609 -2.122 19532 1364 1 7 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.165 0.024 19532 1365 1 7 . 1 1 21 21 TRP C C 21 176.652 176.652 177.342 -0.690 19532 1366 1 7 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.628 -0.255 19532 1367 1 7 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.273 -1.052 19532 1368 1 7 . 1 1 21 21 TRP H H 21 8.581 8.581 8.332 0.249 19532 1369 1 7 . 1 1 22 22 LEU N N 22 116.968 116.968 120.549 -3.581 19532 1370 1 7 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.809 0.940 19532 1371 1 7 . 1 1 22 22 LEU C C 22 177.548 177.548 178.630 -1.082 19532 1372 1 7 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.802 -0.297 19532 1373 1 7 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.086 0.243 19532 1374 1 7 . 1 1 22 22 LEU H H 22 8.140 8.140 8.358 -0.218 19532 1375 1 7 . 1 1 23 23 LEU N N 23 118.881 118.881 118.799 0.082 19532 1376 1 7 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.751 0.011 19532 1377 1 7 . 1 1 23 23 LEU C C 23 177.559 177.559 179.307 -1.748 19532 1378 1 7 . 1 1 23 23 LEU CA C 23 57.922 57.922 58.035 -0.113 19532 1379 1 7 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.762 -0.411 19532 1380 1 7 . 1 1 23 23 LEU H H 23 8.109 8.109 7.695 0.414 19532 1381 1 7 . 1 1 24 24 LEU N N 24 118.480 118.480 118.933 -0.453 19532 1382 1 7 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.709 -0.002 19532 1383 1 7 . 1 1 24 24 LEU C C 24 178.138 178.138 178.644 -0.506 19532 1384 1 7 . 1 1 24 24 LEU CA C 24 57.727 57.727 57.856 -0.129 19532 1385 1 7 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.544 -0.841 19532 1386 1 7 . 1 1 24 24 LEU H H 24 8.175 8.175 7.642 0.533 19532 1387 1 7 . 1 1 25 25 VAL N N 25 117.639 117.639 119.880 -2.241 19532 1388 1 7 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.421 0.004 19532 1389 1 7 . 1 1 25 25 VAL C C 25 177.919 177.919 177.569 0.350 19532 1390 1 7 . 1 1 25 25 VAL CA C 25 66.412 66.412 67.256 -0.844 19532 1391 1 7 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.730 -1.132 19532 1392 1 7 . 1 1 25 25 VAL H H 25 8.247 8.247 7.993 0.254 19532 1393 1 7 . 1 1 26 26 ILE N N 26 119.157 119.157 118.679 0.478 19532 1394 1 7 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.587 0.005 19532 1395 1 7 . 1 1 26 26 ILE C C 26 178.973 178.973 178.230 0.743 19532 1396 1 7 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.216 -0.506 19532 1397 1 7 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.195 -0.252 19532 1398 1 7 . 1 1 26 26 ILE H H 26 8.202 8.202 8.262 -0.060 19532 1399 1 7 . 1 1 27 27 ILE N N 27 123.208 123.208 119.969 3.239 19532 1400 1 7 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.651 -0.105 19532 1401 1 7 . 1 1 27 27 ILE C C 27 177.416 177.416 177.780 -0.364 19532 1402 1 7 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.461 -0.100 19532 1403 1 7 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.943 -1.082 19532 1404 1 7 . 1 1 27 27 ILE H H 27 8.744 8.744 7.837 0.907 19532 1405 1 7 . 1 1 28 28 LEU N N 28 120.044 120.044 121.117 -1.073 19532 1406 1 7 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.872 0.101 19532 1407 1 7 . 1 1 28 28 LEU C C 28 178.771 178.771 178.988 -0.217 19532 1408 1 7 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.495 -0.920 19532 1409 1 7 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.681 -1.032 19532 1410 1 7 . 1 1 28 28 LEU H H 28 8.752 8.752 8.256 0.496 19532 1411 1 7 . 1 1 29 29 ARG N N 29 116.435 116.435 117.979 -1.544 19532 1412 1 7 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.966 0.080 19532 1413 1 7 . 1 1 29 29 ARG C C 29 177.555 177.555 178.856 -1.301 19532 1414 1 7 . 1 1 29 29 ARG CA C 29 57.662 57.662 59.883 -2.221 19532 1415 1 7 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.941 -0.409 19532 1416 1 7 . 1 1 29 29 ARG H H 29 8.085 8.085 8.683 -0.598 19532 1417 1 7 . 1 1 30 30 THR N N 30 113.598 113.598 116.830 -3.232 19532 1418 1 7 . 1 1 30 30 THR HA H 30 4.078 4.078 4.025 0.053 19532 1419 1 7 . 1 1 30 30 THR C C 30 175.493 175.493 176.367 -0.874 19532 1420 1 7 . 1 1 30 30 THR CA C 30 64.777 64.777 66.456 -1.679 19532 1421 1 7 . 1 1 30 30 THR CB C 30 68.437 68.437 68.290 0.147 19532 1422 1 7 . 1 1 30 30 THR H H 30 7.874 7.874 7.573 0.301 19532 1423 1 7 . 1 1 31 31 VAL N N 31 120.483 120.483 120.763 -0.280 19532 1424 1 7 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.513 0.353 19532 1425 1 7 . 1 1 31 31 VAL C C 31 176.313 176.313 177.835 -1.522 19532 1426 1 7 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.418 -2.194 19532 1427 1 7 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.581 -0.300 19532 1428 1 7 . 1 1 31 31 VAL H H 31 8.197 8.197 8.303 -0.106 19532 1429 1 7 . 1 1 32 32 LYS N N 32 120.587 120.587 118.470 2.117 19532 1430 1 7 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.148 0.052 19532 1431 1 7 . 1 1 32 32 LYS C C 32 176.794 176.794 179.310 -2.516 19532 1432 1 7 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.101 -2.138 19532 1433 1 7 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.263 -0.537 19532 1434 1 7 . 1 1 32 32 LYS H H 32 7.954 7.954 7.620 0.334 19532 1435 1 7 . 1 1 33 33 ARG N N 33 119.980 119.980 119.923 0.057 19532 1436 1 7 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.025 0.200 19532 1437 1 7 . 1 1 33 33 ARG C C 33 176.313 176.313 178.557 -2.244 19532 1438 1 7 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.969 -2.705 19532 1439 1 7 . 1 1 33 33 ARG CB C 33 29.740 29.740 29.734 0.006 19532 1440 1 7 . 1 1 33 33 ARG H H 33 7.877 7.877 7.490 0.387 19532 1441 1 7 . 1 1 34 34 ALA N N 34 123.682 123.682 121.089 2.593 19532 1442 1 7 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.171 0.106 19532 1443 1 7 . 1 1 34 34 ALA C C 34 177.085 177.085 178.904 -1.819 19532 1444 1 7 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.631 -2.108 19532 1445 1 7 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.342 -0.025 19532 1446 1 7 . 1 1 34 34 ALA H H 34 8.105 8.105 8.011 0.094 19532 1447 1 7 . 1 1 35 35 ASN N N 35 116.786 116.786 116.599 0.187 19532 1448 1 7 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.581 0.141 19532 1449 1 7 . 1 1 35 35 ASN C C 35 174.979 174.979 176.407 -1.428 19532 1450 1 7 . 1 1 35 35 ASN CA C 35 52.886 52.886 53.127 -0.241 19532 1451 1 7 . 1 1 35 35 ASN CB C 35 38.625 38.625 38.088 0.537 19532 1452 1 7 . 1 1 35 35 ASN H H 35 8.134 8.134 8.049 0.085 19532 1453 1 7 . 1 1 36 36 GLY N N 36 108.843 108.843 106.872 1.971 19532 1454 1 7 . 1 1 36 36 GLY C C 36 173.341 173.341 174.220 -0.879 19532 1455 1 7 . 1 1 36 36 GLY CA C 36 44.888 44.888 45.851 -0.963 19532 1456 1 7 . 1 1 36 36 GLY H H 36 8.113 8.113 7.540 0.573 19532 1457 1 8 . 1 1 2 2 LYS N N 2 121.755 121.755 124.648 -2.893 19532 1458 1 8 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.181 -0.210 19532 1459 1 8 . 1 1 2 2 LYS C C 2 176.772 176.772 178.008 -1.236 19532 1460 1 8 . 1 1 2 2 LYS CA C 2 59.061 59.061 57.870 1.191 19532 1461 1 8 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.663 -0.954 19532 1462 1 8 . 1 1 2 2 LYS H H 2 8.561 8.561 8.685 -0.124 19532 1463 1 8 . 1 1 3 3 THR N N 3 113.102 113.102 116.362 -3.260 19532 1464 1 8 . 1 1 3 3 THR HA H 3 3.992 3.992 3.847 0.145 19532 1465 1 8 . 1 1 3 3 THR C C 3 174.816 174.816 176.276 -1.460 19532 1466 1 8 . 1 1 3 3 THR CA C 3 64.722 64.722 67.236 -2.514 19532 1467 1 8 . 1 1 3 3 THR CB C 3 68.109 68.109 68.316 -0.207 19532 1468 1 8 . 1 1 3 3 THR H H 3 8.021 8.021 8.229 -0.208 19532 1469 1 8 . 1 1 4 4 ASN N N 4 118.987 118.987 119.351 -0.364 19532 1470 1 8 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.365 0.144 19532 1471 1 8 . 1 1 4 4 ASN C C 4 176.357 176.357 177.582 -1.225 19532 1472 1 8 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.372 -1.227 19532 1473 1 8 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.554 -1.103 19532 1474 1 8 . 1 1 4 4 ASN H H 4 7.658 7.658 7.886 -0.228 19532 1475 1 8 . 1 1 5 5 LEU N N 5 118.509 118.509 120.315 -1.806 19532 1476 1 8 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.895 0.141 19532 1477 1 8 . 1 1 5 5 LEU C C 5 177.875 177.875 178.787 -0.912 19532 1478 1 8 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.196 -0.793 19532 1479 1 8 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.504 -0.404 19532 1480 1 8 . 1 1 5 5 LEU H H 5 7.795 7.795 7.942 -0.147 19532 1481 1 8 . 1 1 6 6 GLU N N 6 116.513 116.513 118.737 -2.224 19532 1482 1 8 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.900 -0.072 19532 1483 1 8 . 1 1 6 6 GLU C C 6 176.892 176.892 179.578 -2.686 19532 1484 1 8 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.699 -0.486 19532 1485 1 8 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.315 -2.250 19532 1486 1 8 . 1 1 6 6 GLU H H 6 8.053 8.053 8.327 -0.274 19532 1487 1 8 . 1 1 7 7 ILE N N 7 118.435 118.435 119.556 -1.121 19532 1488 1 8 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.852 -0.178 19532 1489 1 8 . 1 1 7 7 ILE C C 7 176.630 176.630 177.944 -1.314 19532 1490 1 8 . 1 1 7 7 ILE CA C 7 64.697 64.697 64.956 -0.259 19532 1491 1 8 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.148 -1.336 19532 1492 1 8 . 1 1 7 7 ILE H H 7 7.854 7.854 7.846 0.008 19532 1493 1 8 . 1 1 8 8 ILE N N 8 119.327 119.327 121.591 -2.264 19532 1494 1 8 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.594 -0.073 19532 1495 1 8 . 1 1 8 8 ILE C C 8 176.772 176.772 178.171 -1.399 19532 1496 1 8 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.972 -0.643 19532 1497 1 8 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.747 -0.941 19532 1498 1 8 . 1 1 8 8 ILE H H 8 7.727 7.727 7.944 -0.217 19532 1499 1 8 . 1 1 9 9 ILE N N 9 119.384 119.384 120.290 -0.906 19532 1500 1 8 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.669 0.220 19532 1501 1 8 . 1 1 9 9 ILE C C 9 179.110 179.110 177.738 1.372 19532 1502 1 8 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.859 -1.536 19532 1503 1 8 . 1 1 9 9 ILE CB C 9 36.928 36.928 38.215 -1.286 19532 1504 1 8 . 1 1 9 9 ILE H H 9 7.843 7.843 8.421 -0.578 19532 1505 1 8 . 1 1 10 10 LEU N N 10 124.980 124.980 120.139 4.841 19532 1506 1 8 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.872 0.099 19532 1507 1 8 . 1 1 10 10 LEU C C 10 177.121 177.121 179.162 -2.041 19532 1508 1 8 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.210 0.672 19532 1509 1 8 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.325 -0.256 19532 1510 1 8 . 1 1 10 10 LEU H H 10 8.333 8.333 7.653 0.680 19532 1511 1 8 . 1 1 11 11 VAL N N 11 117.153 117.153 118.208 -1.055 19532 1512 1 8 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.555 -0.056 19532 1513 1 8 . 1 1 11 11 VAL C C 11 177.471 177.471 178.263 -0.792 19532 1514 1 8 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.289 0.218 19532 1515 1 8 . 1 1 11 11 VAL CB C 11 30.824 30.824 30.752 0.072 19532 1516 1 8 . 1 1 11 11 VAL H H 11 8.270 8.270 8.624 -0.354 19532 1517 1 8 . 1 1 12 12 GLU N N 12 116.588 116.588 120.038 -3.450 19532 1518 1 8 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.892 -0.160 19532 1519 1 8 . 1 1 12 12 GLU C C 12 177.471 177.471 179.207 -1.736 19532 1520 1 8 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.267 0.751 19532 1521 1 8 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.331 -2.394 19532 1522 1 8 . 1 1 12 12 GLU H H 12 9.137 9.137 7.812 1.325 19532 1523 1 8 . 1 1 13 13 THR N N 13 116.250 116.250 115.858 0.392 19532 1524 1 8 . 1 1 13 13 THR HA H 13 3.732 3.732 3.985 -0.253 19532 1525 1 8 . 1 1 13 13 THR C C 13 174.597 174.597 176.443 -1.846 19532 1526 1 8 . 1 1 13 13 THR CA C 13 67.291 67.291 66.306 0.985 19532 1527 1 8 . 1 1 13 13 THR CB C 13 68.249 68.249 68.284 -0.035 19532 1528 1 8 . 1 1 13 13 THR H H 13 8.527 8.527 7.962 0.565 19532 1529 1 8 . 1 1 14 14 ALA N N 14 122.920 122.920 123.200 -0.280 19532 1530 1 8 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.053 -0.110 19532 1531 1 8 . 1 1 14 14 ALA C C 14 178.455 178.455 179.957 -1.502 19532 1532 1 8 . 1 1 14 14 ALA CA C 14 54.946 54.946 54.825 0.121 19532 1533 1 8 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.121 -1.015 19532 1534 1 8 . 1 1 14 14 ALA H H 14 7.810 7.810 7.697 0.113 19532 1535 1 8 . 1 1 15 15 VAL N N 15 118.461 118.461 120.811 -2.350 19532 1536 1 8 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.763 -0.241 19532 1537 1 8 . 1 1 15 15 VAL C C 15 177.318 177.318 178.149 -0.831 19532 1538 1 8 . 1 1 15 15 VAL CA C 15 66.820 66.820 66.665 0.155 19532 1539 1 8 . 1 1 15 15 VAL CB C 15 30.969 30.969 31.955 -0.986 19532 1540 1 8 . 1 1 15 15 VAL H H 15 8.279 8.279 8.168 0.111 19532 1541 1 8 . 1 1 16 16 ILE N N 16 120.977 120.977 119.953 1.024 19532 1542 1 8 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.770 0.189 19532 1543 1 8 . 1 1 16 16 ILE C C 16 179.667 179.667 178.034 1.633 19532 1544 1 8 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.420 0.093 19532 1545 1 8 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.969 -0.338 19532 1546 1 8 . 1 1 16 16 ILE H H 16 8.513 8.513 8.218 0.295 19532 1547 1 8 . 1 1 17 17 ALA N N 17 122.195 122.195 121.243 0.952 19532 1548 1 8 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.159 -0.074 19532 1549 1 8 . 1 1 17 17 ALA C C 17 177.701 177.701 179.930 -2.229 19532 1550 1 8 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.246 -0.356 19532 1551 1 8 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.277 -0.925 19532 1552 1 8 . 1 1 17 17 ALA H H 17 8.041 8.041 7.870 0.171 19532 1553 1 8 . 1 1 18 18 MET N N 18 117.769 117.769 118.569 -0.800 19532 1554 1 8 . 1 1 18 18 MET HA H 18 4.240 4.240 4.370 -0.130 19532 1555 1 8 . 1 1 18 18 MET C C 18 177.864 177.864 178.733 -0.869 19532 1556 1 8 . 1 1 18 18 MET CA C 18 58.887 58.887 59.734 -0.848 19532 1557 1 8 . 1 1 18 18 MET CB C 18 32.366 32.366 32.652 -0.286 19532 1558 1 8 . 1 1 18 18 MET H H 18 8.631 8.631 8.367 0.264 19532 1559 1 8 . 1 1 19 19 GLU N N 19 115.854 115.854 119.989 -4.135 19532 1560 1 8 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.930 -0.025 19532 1561 1 8 . 1 1 19 19 GLU C C 19 176.531 176.531 179.168 -2.637 19532 1562 1 8 . 1 1 19 19 GLU CA C 19 59.333 59.333 59.422 -0.089 19532 1563 1 8 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.366 -2.209 19532 1564 1 8 . 1 1 19 19 GLU H H 19 8.925 8.925 8.274 0.651 19532 1565 1 8 . 1 1 20 20 PHE N N 20 119.967 119.967 119.276 0.691 19532 1566 1 8 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.309 -0.131 19532 1567 1 8 . 1 1 20 20 PHE C C 20 176.051 176.051 177.036 -0.985 19532 1568 1 8 . 1 1 20 20 PHE CA C 20 61.141 61.141 60.326 0.815 19532 1569 1 8 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.308 -1.077 19532 1570 1 8 . 1 1 20 20 PHE H H 20 8.114 8.114 8.098 0.017 19532 1571 1 8 . 1 1 21 21 TRP N N 21 119.487 119.487 121.678 -2.191 19532 1572 1 8 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.178 0.011 19532 1573 1 8 . 1 1 21 21 TRP C C 21 176.652 176.652 177.229 -0.577 19532 1574 1 8 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.578 -0.205 19532 1575 1 8 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.363 -1.143 19532 1576 1 8 . 1 1 21 21 TRP H H 21 8.581 8.581 8.331 0.250 19532 1577 1 8 . 1 1 22 22 LEU N N 22 116.968 116.968 120.699 -3.731 19532 1578 1 8 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.863 0.886 19532 1579 1 8 . 1 1 22 22 LEU C C 22 177.548 177.548 178.589 -1.041 19532 1580 1 8 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.792 -0.287 19532 1581 1 8 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.128 0.201 19532 1582 1 8 . 1 1 22 22 LEU H H 22 8.140 8.140 8.353 -0.213 19532 1583 1 8 . 1 1 23 23 LEU N N 23 118.881 118.881 118.752 0.129 19532 1584 1 8 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.764 -0.002 19532 1585 1 8 . 1 1 23 23 LEU C C 23 177.559 177.559 179.416 -1.857 19532 1586 1 8 . 1 1 23 23 LEU CA C 23 57.922 57.922 57.998 -0.076 19532 1587 1 8 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.757 -0.406 19532 1588 1 8 . 1 1 23 23 LEU H H 23 8.109 8.109 7.705 0.404 19532 1589 1 8 . 1 1 24 24 LEU N N 24 118.480 118.480 118.631 -0.151 19532 1590 1 8 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.780 -0.073 19532 1591 1 8 . 1 1 24 24 LEU C C 24 178.138 178.138 178.622 -0.484 19532 1592 1 8 . 1 1 24 24 LEU CA C 24 57.727 57.727 57.678 0.049 19532 1593 1 8 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.506 -0.803 19532 1594 1 8 . 1 1 24 24 LEU H H 24 8.175 8.175 7.523 0.652 19532 1595 1 8 . 1 1 25 25 VAL N N 25 117.639 117.639 120.455 -2.816 19532 1596 1 8 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.553 -0.128 19532 1597 1 8 . 1 1 25 25 VAL C C 25 177.919 177.919 177.663 0.256 19532 1598 1 8 . 1 1 25 25 VAL CA C 25 66.412 66.412 66.714 -0.302 19532 1599 1 8 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.386 -0.788 19532 1600 1 8 . 1 1 25 25 VAL H H 25 8.247 8.247 7.896 0.351 19532 1601 1 8 . 1 1 26 26 ILE N N 26 119.157 119.157 118.705 0.452 19532 1602 1 8 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.596 -0.004 19532 1603 1 8 . 1 1 26 26 ILE C C 26 178.973 178.973 178.679 0.294 19532 1604 1 8 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.170 -0.460 19532 1605 1 8 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.225 -0.282 19532 1606 1 8 . 1 1 26 26 ILE H H 26 8.202 8.202 8.279 -0.077 19532 1607 1 8 . 1 1 27 27 ILE N N 27 123.208 123.208 120.325 2.883 19532 1608 1 8 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.680 -0.134 19532 1609 1 8 . 1 1 27 27 ILE C C 27 177.416 177.416 177.501 -0.085 19532 1610 1 8 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.289 0.072 19532 1611 1 8 . 1 1 27 27 ILE CB C 27 36.861 36.861 38.016 -1.155 19532 1612 1 8 . 1 1 27 27 ILE H H 27 8.744 8.744 7.422 1.322 19532 1613 1 8 . 1 1 28 28 LEU N N 28 120.044 120.044 120.973 -0.929 19532 1614 1 8 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.848 0.125 19532 1615 1 8 . 1 1 28 28 LEU C C 28 178.771 178.771 178.969 -0.198 19532 1616 1 8 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.567 -0.992 19532 1617 1 8 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.648 -0.999 19532 1618 1 8 . 1 1 28 28 LEU H H 28 8.752 8.752 8.190 0.562 19532 1619 1 8 . 1 1 29 29 ARG N N 29 116.435 116.435 117.910 -1.475 19532 1620 1 8 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.954 0.092 19532 1621 1 8 . 1 1 29 29 ARG C C 29 177.555 177.555 178.830 -1.275 19532 1622 1 8 . 1 1 29 29 ARG CA C 29 57.662 57.662 59.924 -2.262 19532 1623 1 8 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.908 -0.376 19532 1624 1 8 . 1 1 29 29 ARG H H 29 8.085 8.085 8.707 -0.622 19532 1625 1 8 . 1 1 30 30 THR N N 30 113.598 113.598 116.532 -2.934 19532 1626 1 8 . 1 1 30 30 THR HA H 30 4.078 4.078 3.989 0.089 19532 1627 1 8 . 1 1 30 30 THR C C 30 175.493 175.493 176.473 -0.980 19532 1628 1 8 . 1 1 30 30 THR CA C 30 64.777 64.777 66.627 -1.850 19532 1629 1 8 . 1 1 30 30 THR CB C 30 68.437 68.437 68.267 0.170 19532 1630 1 8 . 1 1 30 30 THR H H 30 7.874 7.874 7.592 0.282 19532 1631 1 8 . 1 1 31 31 VAL N N 31 120.483 120.483 120.666 -0.183 19532 1632 1 8 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.562 0.304 19532 1633 1 8 . 1 1 31 31 VAL C C 31 176.313 176.313 177.869 -1.556 19532 1634 1 8 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.750 -2.526 19532 1635 1 8 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.261 0.020 19532 1636 1 8 . 1 1 31 31 VAL H H 31 8.197 8.197 8.418 -0.221 19532 1637 1 8 . 1 1 32 32 LYS N N 32 120.587 120.587 118.417 2.170 19532 1638 1 8 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.077 0.123 19532 1639 1 8 . 1 1 32 32 LYS C C 32 176.794 176.794 178.436 -1.642 19532 1640 1 8 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.301 -2.338 19532 1641 1 8 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.265 -0.539 19532 1642 1 8 . 1 1 32 32 LYS H H 32 7.954 7.954 7.695 0.259 19532 1643 1 8 . 1 1 33 33 ARG N N 33 119.980 119.980 119.816 0.164 19532 1644 1 8 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.058 0.167 19532 1645 1 8 . 1 1 33 33 ARG C C 33 176.313 176.313 178.613 -2.300 19532 1646 1 8 . 1 1 33 33 ARG CA C 33 56.264 56.264 59.039 -2.775 19532 1647 1 8 . 1 1 33 33 ARG CB C 33 29.740 29.740 29.449 0.291 19532 1648 1 8 . 1 1 33 33 ARG H H 33 7.877 7.877 8.070 -0.193 19532 1649 1 8 . 1 1 34 34 ALA N N 34 123.682 123.682 122.497 1.185 19532 1650 1 8 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.184 0.093 19532 1651 1 8 . 1 1 34 34 ALA C C 34 177.085 177.085 179.295 -2.210 19532 1652 1 8 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.356 -1.833 19532 1653 1 8 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.445 -0.128 19532 1654 1 8 . 1 1 34 34 ALA H H 34 8.105 8.105 7.845 0.260 19532 1655 1 8 . 1 1 35 35 ASN N N 35 116.786 116.786 117.494 -0.708 19532 1656 1 8 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.522 0.200 19532 1657 1 8 . 1 1 35 35 ASN C C 35 174.979 174.979 176.635 -1.656 19532 1658 1 8 . 1 1 35 35 ASN CA C 35 52.886 52.886 54.912 -2.026 19532 1659 1 8 . 1 1 35 35 ASN CB C 35 38.625 38.625 39.219 -0.595 19532 1660 1 8 . 1 1 35 35 ASN H H 35 8.134 8.134 7.722 0.412 19532 1661 1 8 . 1 1 36 36 GLY N N 36 108.843 108.843 106.454 2.389 19532 1662 1 8 . 1 1 36 36 GLY C C 36 173.341 173.341 173.805 -0.464 19532 1663 1 8 . 1 1 36 36 GLY CA C 36 44.888 44.888 45.022 -0.134 19532 1664 1 8 . 1 1 36 36 GLY H H 36 8.113 8.113 7.819 0.294 19532 1665 1 9 . 1 1 2 2 LYS N N 2 121.755 121.755 123.480 -1.725 19532 1666 1 9 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.063 -0.092 19532 1667 1 9 . 1 1 2 2 LYS C C 2 176.772 176.772 177.942 -1.170 19532 1668 1 9 . 1 1 2 2 LYS CA C 2 59.061 59.061 58.702 0.360 19532 1669 1 9 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.430 -0.721 19532 1670 1 9 . 1 1 2 2 LYS H H 2 8.561 8.561 8.609 -0.048 19532 1671 1 9 . 1 1 3 3 THR N N 3 113.102 113.102 115.857 -2.755 19532 1672 1 9 . 1 1 3 3 THR HA H 3 3.992 3.992 3.916 0.076 19532 1673 1 9 . 1 1 3 3 THR C C 3 174.816 174.816 176.543 -1.727 19532 1674 1 9 . 1 1 3 3 THR CA C 3 64.722 64.722 67.188 -2.466 19532 1675 1 9 . 1 1 3 3 THR CB C 3 68.109 68.109 68.357 -0.248 19532 1676 1 9 . 1 1 3 3 THR H H 3 8.021 8.021 8.133 -0.113 19532 1677 1 9 . 1 1 4 4 ASN N N 4 118.987 118.987 119.668 -0.681 19532 1678 1 9 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.433 0.076 19532 1679 1 9 . 1 1 4 4 ASN C C 4 176.357 176.357 177.614 -1.257 19532 1680 1 9 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.185 -1.040 19532 1681 1 9 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.185 -0.734 19532 1682 1 9 . 1 1 4 4 ASN H H 4 7.658 7.658 8.007 -0.349 19532 1683 1 9 . 1 1 5 5 LEU N N 5 118.509 118.509 120.541 -2.032 19532 1684 1 9 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.847 0.189 19532 1685 1 9 . 1 1 5 5 LEU C C 5 177.875 177.875 178.816 -0.941 19532 1686 1 9 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.352 -0.951 19532 1687 1 9 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.379 -0.279 19532 1688 1 9 . 1 1 5 5 LEU H H 5 7.795 7.795 7.933 -0.138 19532 1689 1 9 . 1 1 6 6 GLU N N 6 116.513 116.513 118.526 -2.013 19532 1690 1 9 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.891 -0.063 19532 1691 1 9 . 1 1 6 6 GLU C C 6 176.892 176.892 179.489 -2.597 19532 1692 1 9 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.676 -0.463 19532 1693 1 9 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.345 -2.280 19532 1694 1 9 . 1 1 6 6 GLU H H 6 8.053 8.053 7.905 0.148 19532 1695 1 9 . 1 1 7 7 ILE N N 7 118.435 118.435 119.947 -1.512 19532 1696 1 9 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.777 -0.103 19532 1697 1 9 . 1 1 7 7 ILE C C 7 176.630 176.630 177.919 -1.289 19532 1698 1 9 . 1 1 7 7 ILE CA C 7 64.697 64.697 65.329 -0.632 19532 1699 1 9 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.059 -1.248 19532 1700 1 9 . 1 1 7 7 ILE H H 7 7.854 7.854 7.838 0.016 19532 1701 1 9 . 1 1 8 8 ILE N N 8 119.327 119.327 120.969 -1.642 19532 1702 1 9 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.578 -0.057 19532 1703 1 9 . 1 1 8 8 ILE C C 8 176.772 176.772 178.306 -1.534 19532 1704 1 9 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.832 -0.503 19532 1705 1 9 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.593 -0.787 19532 1706 1 9 . 1 1 8 8 ILE H H 8 7.727 7.727 8.203 -0.476 19532 1707 1 9 . 1 1 9 9 ILE N N 9 119.384 119.384 120.505 -1.121 19532 1708 1 9 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.671 0.218 19532 1709 1 9 . 1 1 9 9 ILE C C 9 179.110 179.110 177.795 1.315 19532 1710 1 9 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.799 -1.476 19532 1711 1 9 . 1 1 9 9 ILE CB C 9 36.928 36.928 38.201 -1.273 19532 1712 1 9 . 1 1 9 9 ILE H H 9 7.843 7.843 8.089 -0.246 19532 1713 1 9 . 1 1 10 10 LEU N N 10 124.980 124.980 120.169 4.811 19532 1714 1 9 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.847 0.124 19532 1715 1 9 . 1 1 10 10 LEU C C 10 177.121 177.121 179.168 -2.047 19532 1716 1 9 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.192 0.690 19532 1717 1 9 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.257 -0.188 19532 1718 1 9 . 1 1 10 10 LEU H H 10 8.333 8.333 7.648 0.685 19532 1719 1 9 . 1 1 11 11 VAL N N 11 117.153 117.153 117.775 -0.622 19532 1720 1 9 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.551 -0.052 19532 1721 1 9 . 1 1 11 11 VAL C C 11 177.471 177.471 178.366 -0.895 19532 1722 1 9 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.365 0.143 19532 1723 1 9 . 1 1 11 11 VAL CB C 11 30.824 30.824 30.637 0.187 19532 1724 1 9 . 1 1 11 11 VAL H H 11 8.270 8.270 8.698 -0.428 19532 1725 1 9 . 1 1 12 12 GLU N N 12 116.588 116.588 119.866 -3.278 19532 1726 1 9 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.856 -0.124 19532 1727 1 9 . 1 1 12 12 GLU C C 12 177.471 177.471 179.252 -1.781 19532 1728 1 9 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.246 0.772 19532 1729 1 9 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.284 -2.347 19532 1730 1 9 . 1 1 12 12 GLU H H 12 9.137 9.137 7.806 1.331 19532 1731 1 9 . 1 1 13 13 THR N N 13 116.250 116.250 115.842 0.408 19532 1732 1 9 . 1 1 13 13 THR HA H 13 3.732 3.732 3.960 -0.228 19532 1733 1 9 . 1 1 13 13 THR C C 13 174.597 174.597 176.503 -1.906 19532 1734 1 9 . 1 1 13 13 THR CA C 13 67.291 67.291 67.076 0.215 19532 1735 1 9 . 1 1 13 13 THR CB C 13 68.249 68.249 68.727 -0.478 19532 1736 1 9 . 1 1 13 13 THR H H 13 8.527 8.527 7.954 0.573 19532 1737 1 9 . 1 1 14 14 ALA N N 14 122.920 122.920 123.477 -0.557 19532 1738 1 9 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.137 -0.194 19532 1739 1 9 . 1 1 14 14 ALA C C 14 178.455 178.455 180.090 -1.635 19532 1740 1 9 . 1 1 14 14 ALA CA C 14 54.946 54.946 54.889 0.057 19532 1741 1 9 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.125 -1.019 19532 1742 1 9 . 1 1 14 14 ALA H H 14 7.810 7.810 7.797 0.013 19532 1743 1 9 . 1 1 15 15 VAL N N 15 118.461 118.461 120.388 -1.927 19532 1744 1 9 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.685 -0.163 19532 1745 1 9 . 1 1 15 15 VAL C C 15 177.318 177.318 178.072 -0.754 19532 1746 1 9 . 1 1 15 15 VAL CA C 15 66.820 66.820 66.317 0.503 19532 1747 1 9 . 1 1 15 15 VAL CB C 15 30.969 30.969 32.079 -1.110 19532 1748 1 9 . 1 1 15 15 VAL H H 15 8.279 8.279 8.161 0.118 19532 1749 1 9 . 1 1 16 16 ILE N N 16 120.977 120.977 119.633 1.344 19532 1750 1 9 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.711 0.248 19532 1751 1 9 . 1 1 16 16 ILE C C 16 179.667 179.667 178.061 1.606 19532 1752 1 9 . 1 1 16 16 ILE CA C 16 64.513 64.513 63.926 0.587 19532 1753 1 9 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.944 -0.313 19532 1754 1 9 . 1 1 16 16 ILE H H 16 8.513 8.513 8.553 -0.040 19532 1755 1 9 . 1 1 17 17 ALA N N 17 122.195 122.195 121.049 1.146 19532 1756 1 9 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.338 -0.253 19532 1757 1 9 . 1 1 17 17 ALA C C 17 177.701 177.701 179.700 -1.999 19532 1758 1 9 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.169 -0.279 19532 1759 1 9 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.336 -0.984 19532 1760 1 9 . 1 1 17 17 ALA H H 17 8.041 8.041 7.944 0.097 19532 1761 1 9 . 1 1 18 18 MET N N 18 117.769 117.769 119.356 -1.587 19532 1762 1 9 . 1 1 18 18 MET HA H 18 4.240 4.240 4.373 -0.133 19532 1763 1 9 . 1 1 18 18 MET C C 18 177.864 177.864 178.370 -0.506 19532 1764 1 9 . 1 1 18 18 MET CA C 18 58.887 58.887 59.733 -0.846 19532 1765 1 9 . 1 1 18 18 MET CB C 18 32.366 32.366 32.646 -0.280 19532 1766 1 9 . 1 1 18 18 MET H H 18 8.631 8.631 8.486 0.145 19532 1767 1 9 . 1 1 19 19 GLU N N 19 115.854 115.854 119.470 -3.616 19532 1768 1 9 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.763 0.142 19532 1769 1 9 . 1 1 19 19 GLU C C 19 176.531 176.531 178.742 -2.211 19532 1770 1 9 . 1 1 19 19 GLU CA C 19 59.333 59.333 59.421 -0.088 19532 1771 1 9 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.334 -2.177 19532 1772 1 9 . 1 1 19 19 GLU H H 19 8.925 8.925 8.084 0.841 19532 1773 1 9 . 1 1 20 20 PHE N N 20 119.967 119.967 121.275 -1.308 19532 1774 1 9 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.107 0.071 19532 1775 1 9 . 1 1 20 20 PHE C C 20 176.051 176.051 176.895 -0.844 19532 1776 1 9 . 1 1 20 20 PHE CA C 20 61.141 61.141 60.343 0.798 19532 1777 1 9 . 1 1 20 20 PHE CB C 20 38.231 38.231 38.935 -0.704 19532 1778 1 9 . 1 1 20 20 PHE H H 20 8.114 8.114 7.949 0.165 19532 1779 1 9 . 1 1 21 21 TRP N N 21 119.487 119.487 118.693 0.794 19532 1780 1 9 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.004 0.185 19532 1781 1 9 . 1 1 21 21 TRP C C 21 176.652 176.652 178.206 -1.554 19532 1782 1 9 . 1 1 21 21 TRP CA C 21 60.373 60.373 59.802 0.571 19532 1783 1 9 . 1 1 21 21 TRP CB C 21 28.221 28.221 28.770 -0.549 19532 1784 1 9 . 1 1 21 21 TRP H H 21 8.581 8.581 8.637 -0.056 19532 1785 1 9 . 1 1 22 22 LEU N N 22 116.968 116.968 121.490 -4.522 19532 1786 1 9 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.372 1.377 19532 1787 1 9 . 1 1 22 22 LEU C C 22 177.548 177.548 178.763 -1.215 19532 1788 1 9 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.152 0.353 19532 1789 1 9 . 1 1 22 22 LEU CB C 22 41.329 41.329 40.999 0.330 19532 1790 1 9 . 1 1 22 22 LEU H H 22 8.140 8.140 7.470 0.670 19532 1791 1 9 . 1 1 23 23 LEU N N 23 118.881 118.881 118.922 -0.041 19532 1792 1 9 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.769 -0.007 19532 1793 1 9 . 1 1 23 23 LEU C C 23 177.559 177.559 179.332 -1.773 19532 1794 1 9 . 1 1 23 23 LEU CA C 23 57.922 57.922 58.159 -0.237 19532 1795 1 9 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.789 -0.438 19532 1796 1 9 . 1 1 23 23 LEU H H 23 8.109 8.109 8.180 -0.071 19532 1797 1 9 . 1 1 24 24 LEU N N 24 118.480 118.480 119.264 -0.784 19532 1798 1 9 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.768 -0.061 19532 1799 1 9 . 1 1 24 24 LEU C C 24 178.138 178.138 179.077 -0.939 19532 1800 1 9 . 1 1 24 24 LEU CA C 24 57.727 57.727 58.136 -0.409 19532 1801 1 9 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.634 -0.931 19532 1802 1 9 . 1 1 24 24 LEU H H 24 8.175 8.175 8.324 -0.149 19532 1803 1 9 . 1 1 25 25 VAL N N 25 117.639 117.639 120.097 -2.458 19532 1804 1 9 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.735 -0.310 19532 1805 1 9 . 1 1 25 25 VAL C C 25 177.919 177.919 177.810 0.109 19532 1806 1 9 . 1 1 25 25 VAL CA C 25 66.412 66.412 66.722 -0.310 19532 1807 1 9 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.933 -1.335 19532 1808 1 9 . 1 1 25 25 VAL H H 25 8.247 8.247 8.324 -0.077 19532 1809 1 9 . 1 1 26 26 ILE N N 26 119.157 119.157 119.294 -0.137 19532 1810 1 9 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.618 -0.026 19532 1811 1 9 . 1 1 26 26 ILE C C 26 178.973 178.973 178.366 0.607 19532 1812 1 9 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.389 -0.679 19532 1813 1 9 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.237 -0.294 19532 1814 1 9 . 1 1 26 26 ILE H H 26 8.202 8.202 8.380 -0.178 19532 1815 1 9 . 1 1 27 27 ILE N N 27 123.208 123.208 119.817 3.391 19532 1816 1 9 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.683 -0.137 19532 1817 1 9 . 1 1 27 27 ILE C C 27 177.416 177.416 177.763 -0.347 19532 1818 1 9 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.535 -0.174 19532 1819 1 9 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.996 -1.135 19532 1820 1 9 . 1 1 27 27 ILE H H 27 8.744 8.744 8.083 0.661 19532 1821 1 9 . 1 1 28 28 LEU N N 28 120.044 120.044 121.041 -0.997 19532 1822 1 9 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.872 0.101 19532 1823 1 9 . 1 1 28 28 LEU C C 28 178.771 178.771 179.032 -0.261 19532 1824 1 9 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.615 -1.040 19532 1825 1 9 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.647 -0.998 19532 1826 1 9 . 1 1 28 28 LEU H H 28 8.752 8.752 8.121 0.631 19532 1827 1 9 . 1 1 29 29 ARG N N 29 116.435 116.435 117.876 -1.441 19532 1828 1 9 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.999 0.047 19532 1829 1 9 . 1 1 29 29 ARG C C 29 177.555 177.555 178.943 -1.388 19532 1830 1 9 . 1 1 29 29 ARG CA C 29 57.662 57.662 59.751 -2.089 19532 1831 1 9 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.963 -0.431 19532 1832 1 9 . 1 1 29 29 ARG H H 29 8.085 8.085 8.795 -0.710 19532 1833 1 9 . 1 1 30 30 THR N N 30 113.598 113.598 116.967 -3.369 19532 1834 1 9 . 1 1 30 30 THR HA H 30 4.078 4.078 3.990 0.088 19532 1835 1 9 . 1 1 30 30 THR C C 30 175.493 175.493 176.633 -1.140 19532 1836 1 9 . 1 1 30 30 THR CA C 30 64.777 64.777 66.778 -2.001 19532 1837 1 9 . 1 1 30 30 THR CB C 30 68.437 68.437 68.642 -0.205 19532 1838 1 9 . 1 1 30 30 THR H H 30 7.874 7.874 7.541 0.333 19532 1839 1 9 . 1 1 31 31 VAL N N 31 120.483 120.483 120.873 -0.390 19532 1840 1 9 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.552 0.314 19532 1841 1 9 . 1 1 31 31 VAL C C 31 176.313 176.313 178.493 -2.180 19532 1842 1 9 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.418 -2.193 19532 1843 1 9 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.612 -0.331 19532 1844 1 9 . 1 1 31 31 VAL H H 31 8.197 8.197 8.449 -0.252 19532 1845 1 9 . 1 1 32 32 LYS N N 32 120.587 120.587 118.965 1.622 19532 1846 1 9 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.063 0.137 19532 1847 1 9 . 1 1 32 32 LYS C C 32 176.794 176.794 178.656 -1.862 19532 1848 1 9 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.521 -2.558 19532 1849 1 9 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.268 -0.542 19532 1850 1 9 . 1 1 32 32 LYS H H 32 7.954 7.954 7.858 0.096 19532 1851 1 9 . 1 1 33 33 ARG N N 33 119.980 119.980 120.071 -0.091 19532 1852 1 9 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.044 0.181 19532 1853 1 9 . 1 1 33 33 ARG C C 33 176.313 176.313 177.808 -1.495 19532 1854 1 9 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.715 -2.451 19532 1855 1 9 . 1 1 33 33 ARG CB C 33 29.740 29.740 28.755 0.985 19532 1856 1 9 . 1 1 33 33 ARG H H 33 7.877 7.877 7.415 0.462 19532 1857 1 9 . 1 1 34 34 ALA N N 34 123.682 123.682 121.311 2.371 19532 1858 1 9 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.133 0.144 19532 1859 1 9 . 1 1 34 34 ALA C C 34 177.085 177.085 178.751 -1.666 19532 1860 1 9 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.346 -1.823 19532 1861 1 9 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.474 -0.157 19532 1862 1 9 . 1 1 34 34 ALA H H 34 8.105 8.105 7.859 0.246 19532 1863 1 9 . 1 1 35 35 ASN N N 35 116.786 116.786 114.875 1.911 19532 1864 1 9 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.780 -0.058 19532 1865 1 9 . 1 1 35 35 ASN C C 35 174.979 174.979 177.171 -2.192 19532 1866 1 9 . 1 1 35 35 ASN CA C 35 52.886 52.886 52.693 0.194 19532 1867 1 9 . 1 1 35 35 ASN CB C 35 38.625 38.625 38.903 -0.278 19532 1868 1 9 . 1 1 35 35 ASN H H 35 8.134 8.134 7.937 0.197 19532 1869 1 9 . 1 1 36 36 GLY N N 36 108.843 108.843 109.175 -0.332 19532 1870 1 9 . 1 1 36 36 GLY C C 36 173.341 173.341 174.986 -1.645 19532 1871 1 9 . 1 1 36 36 GLY CA C 36 44.888 44.888 46.248 -1.360 19532 1872 1 9 . 1 1 36 36 GLY H H 36 8.113 8.113 8.003 0.110 19532 1873 1 10 . 1 1 2 2 LYS N N 2 121.755 121.755 124.540 -2.785 19532 1874 1 10 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.128 -0.157 19532 1875 1 10 . 1 1 2 2 LYS C C 2 176.772 176.772 177.895 -1.123 19532 1876 1 10 . 1 1 2 2 LYS CA C 2 59.061 59.061 58.428 0.633 19532 1877 1 10 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.617 -0.908 19532 1878 1 10 . 1 1 2 2 LYS H H 2 8.561 8.561 8.556 0.005 19532 1879 1 10 . 1 1 3 3 THR N N 3 113.102 113.102 115.862 -2.760 19532 1880 1 10 . 1 1 3 3 THR HA H 3 3.992 3.992 3.863 0.129 19532 1881 1 10 . 1 1 3 3 THR C C 3 174.816 174.816 176.321 -1.505 19532 1882 1 10 . 1 1 3 3 THR CA C 3 64.722 64.722 67.175 -2.453 19532 1883 1 10 . 1 1 3 3 THR CB C 3 68.109 68.109 68.316 -0.207 19532 1884 1 10 . 1 1 3 3 THR H H 3 8.021 8.021 8.241 -0.220 19532 1885 1 10 . 1 1 4 4 ASN N N 4 118.987 118.987 119.649 -0.662 19532 1886 1 10 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.342 0.167 19532 1887 1 10 . 1 1 4 4 ASN C C 4 176.357 176.357 177.574 -1.217 19532 1888 1 10 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.253 -1.108 19532 1889 1 10 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.534 -1.083 19532 1890 1 10 . 1 1 4 4 ASN H H 4 7.658 7.658 7.645 0.013 19532 1891 1 10 . 1 1 5 5 LEU N N 5 118.509 118.509 120.388 -1.879 19532 1892 1 10 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.856 0.180 19532 1893 1 10 . 1 1 5 5 LEU C C 5 177.875 177.875 178.783 -0.908 19532 1894 1 10 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.236 -0.834 19532 1895 1 10 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.474 -0.374 19532 1896 1 10 . 1 1 5 5 LEU H H 5 7.795 7.795 7.916 -0.121 19532 1897 1 10 . 1 1 6 6 GLU N N 6 116.513 116.513 118.598 -2.085 19532 1898 1 10 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.891 -0.063 19532 1899 1 10 . 1 1 6 6 GLU C C 6 176.892 176.892 179.537 -2.645 19532 1900 1 10 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.689 -0.476 19532 1901 1 10 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.348 -2.283 19532 1902 1 10 . 1 1 6 6 GLU H H 6 8.053 8.053 8.091 -0.038 19532 1903 1 10 . 1 1 7 7 ILE N N 7 118.435 118.435 119.897 -1.462 19532 1904 1 10 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.802 -0.128 19532 1905 1 10 . 1 1 7 7 ILE C C 7 176.630 176.630 177.868 -1.238 19532 1906 1 10 . 1 1 7 7 ILE CA C 7 64.697 64.697 65.221 -0.524 19532 1907 1 10 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.111 -1.300 19532 1908 1 10 . 1 1 7 7 ILE H H 7 7.854 7.854 7.923 -0.069 19532 1909 1 10 . 1 1 8 8 ILE N N 8 119.327 119.327 121.111 -1.784 19532 1910 1 10 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.576 -0.055 19532 1911 1 10 . 1 1 8 8 ILE C C 8 176.772 176.772 178.254 -1.482 19532 1912 1 10 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.903 -0.574 19532 1913 1 10 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.587 -0.782 19532 1914 1 10 . 1 1 8 8 ILE H H 8 7.727 7.727 8.218 -0.491 19532 1915 1 10 . 1 1 9 9 ILE N N 9 119.384 119.384 120.082 -0.698 19532 1916 1 10 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.716 0.173 19532 1917 1 10 . 1 1 9 9 ILE C C 9 179.110 179.110 178.006 1.104 19532 1918 1 10 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.118 -0.795 19532 1919 1 10 . 1 1 9 9 ILE CB C 9 36.928 36.928 37.684 -0.756 19532 1920 1 10 . 1 1 9 9 ILE H H 9 7.843 7.843 8.273 -0.430 19532 1921 1 10 . 1 1 10 10 LEU N N 10 124.980 124.980 120.387 4.593 19532 1922 1 10 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.869 0.102 19532 1923 1 10 . 1 1 10 10 LEU C C 10 177.121 177.121 179.270 -2.149 19532 1924 1 10 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.218 0.664 19532 1925 1 10 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.312 -0.243 19532 1926 1 10 . 1 1 10 10 LEU H H 10 8.333 8.333 7.641 0.692 19532 1927 1 10 . 1 1 11 11 VAL N N 11 117.153 117.153 118.012 -0.859 19532 1928 1 10 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.522 -0.024 19532 1929 1 10 . 1 1 11 11 VAL C C 11 177.471 177.471 177.959 -0.488 19532 1930 1 10 . 1 1 11 11 VAL CA C 11 66.507 66.507 67.173 -0.666 19532 1931 1 10 . 1 1 11 11 VAL CB C 11 30.824 30.824 31.251 -0.427 19532 1932 1 10 . 1 1 11 11 VAL H H 11 8.270 8.270 8.680 -0.410 19532 1933 1 10 . 1 1 12 12 GLU N N 12 116.588 116.588 120.071 -3.483 19532 1934 1 10 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.859 -0.127 19532 1935 1 10 . 1 1 12 12 GLU C C 12 177.471 177.471 179.134 -1.663 19532 1936 1 10 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.348 0.670 19532 1937 1 10 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.323 -2.386 19532 1938 1 10 . 1 1 12 12 GLU H H 12 9.137 9.137 7.824 1.313 19532 1939 1 10 . 1 1 13 13 THR N N 13 116.250 116.250 116.132 0.118 19532 1940 1 10 . 1 1 13 13 THR HA H 13 3.732 3.732 3.954 -0.222 19532 1941 1 10 . 1 1 13 13 THR C C 13 174.597 174.597 176.354 -1.757 19532 1942 1 10 . 1 1 13 13 THR CA C 13 67.291 67.291 67.088 0.203 19532 1943 1 10 . 1 1 13 13 THR CB C 13 68.249 68.249 68.685 -0.436 19532 1944 1 10 . 1 1 13 13 THR H H 13 8.527 8.527 7.950 0.577 19532 1945 1 10 . 1 1 14 14 ALA N N 14 122.920 122.920 123.520 -0.600 19532 1946 1 10 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.050 -0.107 19532 1947 1 10 . 1 1 14 14 ALA C C 14 178.455 178.455 179.790 -1.335 19532 1948 1 10 . 1 1 14 14 ALA CA C 14 54.946 54.946 55.006 -0.060 19532 1949 1 10 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.091 -0.985 19532 1950 1 10 . 1 1 14 14 ALA H H 14 7.810 7.810 7.747 0.063 19532 1951 1 10 . 1 1 15 15 VAL N N 15 118.461 118.461 120.563 -2.102 19532 1952 1 10 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.815 -0.293 19532 1953 1 10 . 1 1 15 15 VAL C C 15 177.318 177.318 178.437 -1.119 19532 1954 1 10 . 1 1 15 15 VAL CA C 15 66.820 66.820 65.803 1.017 19532 1955 1 10 . 1 1 15 15 VAL CB C 15 30.969 30.969 31.438 -0.469 19532 1956 1 10 . 1 1 15 15 VAL H H 15 8.279 8.279 8.273 0.007 19532 1957 1 10 . 1 1 16 16 ILE N N 16 120.977 120.977 120.287 0.690 19532 1958 1 10 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.781 0.178 19532 1959 1 10 . 1 1 16 16 ILE C C 16 179.667 179.667 178.149 1.518 19532 1960 1 10 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.572 -0.059 19532 1961 1 10 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.836 -0.205 19532 1962 1 10 . 1 1 16 16 ILE H H 16 8.513 8.513 8.206 0.307 19532 1963 1 10 . 1 1 17 17 ALA N N 17 122.195 122.195 121.219 0.976 19532 1964 1 10 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.156 -0.071 19532 1965 1 10 . 1 1 17 17 ALA C C 17 177.701 177.701 179.911 -2.210 19532 1966 1 10 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.237 -0.347 19532 1967 1 10 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.274 -0.922 19532 1968 1 10 . 1 1 17 17 ALA H H 17 8.041 8.041 7.866 0.175 19532 1969 1 10 . 1 1 18 18 MET N N 18 117.769 117.769 118.600 -0.831 19532 1970 1 10 . 1 1 18 18 MET HA H 18 4.240 4.240 4.381 -0.141 19532 1971 1 10 . 1 1 18 18 MET C C 18 177.864 177.864 178.737 -0.873 19532 1972 1 10 . 1 1 18 18 MET CA C 18 58.887 58.887 59.751 -0.864 19532 1973 1 10 . 1 1 18 18 MET CB C 18 32.366 32.366 32.668 -0.302 19532 1974 1 10 . 1 1 18 18 MET H H 18 8.631 8.631 8.369 0.262 19532 1975 1 10 . 1 1 19 19 GLU N N 19 115.854 115.854 120.055 -4.201 19532 1976 1 10 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.934 -0.029 19532 1977 1 10 . 1 1 19 19 GLU C C 19 176.531 176.531 179.211 -2.680 19532 1978 1 10 . 1 1 19 19 GLU CA C 19 59.333 59.333 59.431 -0.098 19532 1979 1 10 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.356 -2.199 19532 1980 1 10 . 1 1 19 19 GLU H H 19 8.925 8.925 8.275 0.650 19532 1981 1 10 . 1 1 20 20 PHE N N 20 119.967 119.967 119.281 0.686 19532 1982 1 10 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.311 -0.133 19532 1983 1 10 . 1 1 20 20 PHE C C 20 176.051 176.051 177.110 -1.059 19532 1984 1 10 . 1 1 20 20 PHE CA C 20 61.141 61.141 60.262 0.879 19532 1985 1 10 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.212 -0.980 19532 1986 1 10 . 1 1 20 20 PHE H H 20 8.114 8.114 8.091 0.023 19532 1987 1 10 . 1 1 21 21 TRP N N 21 119.487 119.487 121.629 -2.142 19532 1988 1 10 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.222 -0.033 19532 1989 1 10 . 1 1 21 21 TRP C C 21 176.652 176.652 177.375 -0.723 19532 1990 1 10 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.660 -0.287 19532 1991 1 10 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.293 -1.072 19532 1992 1 10 . 1 1 21 21 TRP H H 21 8.581 8.581 8.363 0.218 19532 1993 1 10 . 1 1 22 22 LEU N N 22 116.968 116.968 120.544 -3.576 19532 1994 1 10 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.807 0.942 19532 1995 1 10 . 1 1 22 22 LEU C C 22 177.548 177.548 178.639 -1.091 19532 1996 1 10 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.807 -0.302 19532 1997 1 10 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.077 0.252 19532 1998 1 10 . 1 1 22 22 LEU H H 22 8.140 8.140 8.366 -0.226 19532 1999 1 10 . 1 1 23 23 LEU N N 23 118.881 118.881 118.818 0.063 19532 2000 1 10 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.747 0.015 19532 2001 1 10 . 1 1 23 23 LEU C C 23 177.559 177.559 179.259 -1.700 19532 2002 1 10 . 1 1 23 23 LEU CA C 23 57.922 57.922 58.050 -0.128 19532 2003 1 10 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.746 -0.395 19532 2004 1 10 . 1 1 23 23 LEU H H 23 8.109 8.109 7.708 0.401 19532 2005 1 10 . 1 1 24 24 LEU N N 24 118.480 118.480 118.822 -0.342 19532 2006 1 10 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.702 0.005 19532 2007 1 10 . 1 1 24 24 LEU C C 24 178.138 178.138 178.793 -0.655 19532 2008 1 10 . 1 1 24 24 LEU CA C 24 57.727 57.727 57.846 -0.119 19532 2009 1 10 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.556 -0.853 19532 2010 1 10 . 1 1 24 24 LEU H H 24 8.175 8.175 7.603 0.572 19532 2011 1 10 . 1 1 25 25 VAL N N 25 117.639 117.639 120.070 -2.431 19532 2012 1 10 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.528 -0.103 19532 2013 1 10 . 1 1 25 25 VAL C C 25 177.919 177.919 177.620 0.299 19532 2014 1 10 . 1 1 25 25 VAL CA C 25 66.412 66.412 67.264 -0.852 19532 2015 1 10 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.564 -0.966 19532 2016 1 10 . 1 1 25 25 VAL H H 25 8.247 8.247 8.009 0.238 19532 2017 1 10 . 1 1 26 26 ILE N N 26 119.157 119.157 118.788 0.369 19532 2018 1 10 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.599 -0.007 19532 2019 1 10 . 1 1 26 26 ILE C C 26 178.973 178.973 178.677 0.296 19532 2020 1 10 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.203 -0.493 19532 2021 1 10 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.294 -0.351 19532 2022 1 10 . 1 1 26 26 ILE H H 26 8.202 8.202 8.229 -0.027 19532 2023 1 10 . 1 1 27 27 ILE N N 27 123.208 123.208 120.406 2.802 19532 2024 1 10 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.685 -0.139 19532 2025 1 10 . 1 1 27 27 ILE C C 27 177.416 177.416 177.565 -0.149 19532 2026 1 10 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.355 0.006 19532 2027 1 10 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.958 -1.097 19532 2028 1 10 . 1 1 27 27 ILE H H 27 8.744 8.744 7.886 0.858 19532 2029 1 10 . 1 1 28 28 LEU N N 28 120.044 120.044 121.125 -1.081 19532 2030 1 10 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.886 0.087 19532 2031 1 10 . 1 1 28 28 LEU C C 28 178.771 178.771 178.904 -0.133 19532 2032 1 10 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.456 -0.881 19532 2033 1 10 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.698 -1.049 19532 2034 1 10 . 1 1 28 28 LEU H H 28 8.752 8.752 8.213 0.539 19532 2035 1 10 . 1 1 29 29 ARG N N 29 116.435 116.435 117.566 -1.131 19532 2036 1 10 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.889 0.157 19532 2037 1 10 . 1 1 29 29 ARG C C 29 177.555 177.555 178.909 -1.354 19532 2038 1 10 . 1 1 29 29 ARG CA C 29 57.662 57.662 59.920 -2.258 19532 2039 1 10 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.922 -0.390 19532 2040 1 10 . 1 1 29 29 ARG H H 29 8.085 8.085 8.616 -0.531 19532 2041 1 10 . 1 1 30 30 THR N N 30 113.598 113.598 116.416 -2.818 19532 2042 1 10 . 1 1 30 30 THR HA H 30 4.078 4.078 4.019 0.059 19532 2043 1 10 . 1 1 30 30 THR C C 30 175.493 175.493 176.569 -1.076 19532 2044 1 10 . 1 1 30 30 THR CA C 30 64.777 64.777 66.742 -1.965 19532 2045 1 10 . 1 1 30 30 THR CB C 30 68.437 68.437 68.738 -0.301 19532 2046 1 10 . 1 1 30 30 THR H H 30 7.874 7.874 7.496 0.378 19532 2047 1 10 . 1 1 31 31 VAL N N 31 120.483 120.483 120.824 -0.341 19532 2048 1 10 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.604 0.262 19532 2049 1 10 . 1 1 31 31 VAL C C 31 176.313 176.313 177.616 -1.303 19532 2050 1 10 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.420 -2.196 19532 2051 1 10 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.587 -0.306 19532 2052 1 10 . 1 1 31 31 VAL H H 31 8.197 8.197 8.179 0.018 19532 2053 1 10 . 1 1 32 32 LYS N N 32 120.587 120.587 117.818 2.769 19532 2054 1 10 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.162 0.038 19532 2055 1 10 . 1 1 32 32 LYS C C 32 176.794 176.794 178.185 -1.391 19532 2056 1 10 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.061 -2.098 19532 2057 1 10 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.385 -0.659 19532 2058 1 10 . 1 1 32 32 LYS H H 32 7.954 7.954 7.858 0.096 19532 2059 1 10 . 1 1 33 33 ARG N N 33 119.980 119.980 120.168 -0.188 19532 2060 1 10 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.032 0.193 19532 2061 1 10 . 1 1 33 33 ARG C C 33 176.313 176.313 178.220 -1.907 19532 2062 1 10 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.768 -2.504 19532 2063 1 10 . 1 1 33 33 ARG CB C 33 29.740 29.740 29.265 0.475 19532 2064 1 10 . 1 1 33 33 ARG H H 33 7.877 7.877 8.187 -0.310 19532 2065 1 10 . 1 1 34 34 ALA N N 34 123.682 123.682 120.857 2.825 19532 2066 1 10 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.286 -0.009 19532 2067 1 10 . 1 1 34 34 ALA C C 34 177.085 177.085 178.859 -1.774 19532 2068 1 10 . 1 1 34 34 ALA CA C 34 52.523 52.523 53.715 -1.192 19532 2069 1 10 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.591 -0.274 19532 2070 1 10 . 1 1 34 34 ALA H H 34 8.105 8.105 7.676 0.429 19532 2071 1 10 . 1 1 35 35 ASN N N 35 116.786 116.786 116.776 0.010 19532 2072 1 10 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.703 0.019 19532 2073 1 10 . 1 1 35 35 ASN C C 35 174.979 174.979 176.545 -1.566 19532 2074 1 10 . 1 1 35 35 ASN CA C 35 52.886 52.886 54.071 -1.185 19532 2075 1 10 . 1 1 35 35 ASN CB C 35 38.625 38.625 39.836 -1.211 19532 2076 1 10 . 1 1 35 35 ASN H H 35 8.134 8.134 8.201 -0.067 19532 2077 1 10 . 1 1 36 36 GLY N N 36 108.843 108.843 104.706 4.137 19532 2078 1 10 . 1 1 36 36 GLY C C 36 173.341 173.341 174.155 -0.814 19532 2079 1 10 . 1 1 36 36 GLY CA C 36 44.888 44.888 45.025 -0.137 19532 2080 1 10 . 1 1 36 36 GLY H H 36 8.113 8.113 8.298 -0.185 19532 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 35 2.051 0.602 1.990 19532 2 1 1 "Average Difference" HA 36 0.220 -0.053 0.216 19532 3 1 1 "Average Difference" C 35 1.532 1.172 1.001 19532 4 1 1 "Average Difference" CA 35 1.190 0.657 1.006 19532 5 1 1 "Average Difference" CB 34 0.976 0.677 0.715 19532 6 1 1 "Average Difference" HN 35 0.440 -0.148 0.420 19532 7 1 2 "Average Difference" N 35 2.065 0.616 2.000 19532 8 1 2 "Average Difference" HA 36 0.223 -0.047 0.221 19532 9 1 2 "Average Difference" C 35 1.483 1.131 0.974 19532 10 1 2 "Average Difference" CA 35 1.186 0.628 1.021 19532 11 1 2 "Average Difference" CB 34 0.963 0.669 0.704 19532 12 1 2 "Average Difference" HN 35 0.434 -0.174 0.403 19532 13 1 3 "Average Difference" N 35 2.093 0.560 2.046 19532 14 1 3 "Average Difference" HA 36 0.208 -0.028 0.209 19532 15 1 3 "Average Difference" C 35 1.383 1.024 0.944 19532 16 1 3 "Average Difference" CA 35 1.176 0.614 1.018 19532 17 1 3 "Average Difference" CB 34 0.974 0.698 0.690 19532 18 1 3 "Average Difference" HN 35 0.447 -0.203 0.404 19532 19 1 4 "Average Difference" N 35 2.197 0.472 2.177 19532 20 1 4 "Average Difference" HA 36 0.214 -0.055 0.210 19532 21 1 4 "Average Difference" C 35 1.433 1.068 0.969 19532 22 1 4 "Average Difference" CA 35 1.129 0.618 0.958 19532 23 1 4 "Average Difference" CB 34 0.984 0.730 0.670 19532 24 1 4 "Average Difference" HN 35 0.445 -0.159 0.422 19532 25 1 5 "Average Difference" N 35 2.082 0.494 2.052 19532 26 1 5 "Average Difference" HA 36 0.206 -0.052 0.203 19532 27 1 5 "Average Difference" C 35 1.484 1.090 1.021 19532 28 1 5 "Average Difference" CA 35 1.133 0.672 0.925 19532 29 1 5 "Average Difference" CB 34 0.955 0.689 0.670 19532 30 1 5 "Average Difference" HN 35 0.450 -0.177 0.420 19532 31 1 6 "Average Difference" N 35 2.120 0.534 2.082 19532 32 1 6 "Average Difference" HA 36 0.216 -0.051 0.213 19532 33 1 6 "Average Difference" C 35 1.532 1.146 1.031 19532 34 1 6 "Average Difference" CA 35 1.142 0.679 0.932 19532 35 1 6 "Average Difference" CB 34 0.946 0.649 0.699 19532 36 1 6 "Average Difference" HN 35 0.456 -0.175 0.427 19532 37 1 7 "Average Difference" N 35 2.070 0.628 2.001 19532 38 1 7 "Average Difference" HA 36 0.217 -0.042 0.216 19532 39 1 7 "Average Difference" C 35 1.501 1.132 1.000 19532 40 1 7 "Average Difference" CA 35 1.118 0.551 0.987 19532 41 1 7 "Average Difference" CB 34 0.961 0.668 0.701 19532 42 1 7 "Average Difference" HN 35 0.435 -0.174 0.404 19532 43 1 8 "Average Difference" N 35 2.112 0.707 2.019 19532 44 1 8 "Average Difference" HA 36 0.203 -0.029 0.204 19532 45 1 8 "Average Difference" C 35 1.468 1.099 0.987 19532 46 1 8 "Average Difference" CA 35 1.237 0.620 1.086 19532 47 1 8 "Average Difference" CB 34 0.981 0.719 0.677 19532 48 1 8 "Average Difference" HN 35 0.470 -0.166 0.446 19532 49 1 9 "Average Difference" N 35 2.072 0.661 1.992 19532 50 1 9 "Average Difference" HA 36 0.281 -0.062 0.278 19532 51 1 9 "Average Difference" C 35 1.505 1.175 0.954 19532 52 1 9 "Average Difference" CA 35 1.168 0.595 1.019 19532 53 1 9 "Average Difference" CB 34 0.970 0.685 0.697 19532 54 1 9 "Average Difference" HN 35 0.426 -0.120 0.415 19532 55 1 10 "Average Difference" N 35 2.159 0.577 2.111 19532 56 1 10 "Average Difference" HA 36 0.203 -0.029 0.204 19532 57 1 10 "Average Difference" C 35 1.410 1.082 0.917 19532 58 1 10 "Average Difference" CA 35 1.110 0.611 0.940 19532 59 1 10 "Average Difference" CB 34 0.975 0.748 0.635 19532 60 1 10 "Average Difference" HN 35 0.422 -0.135 0.406 19532 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 19532 _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 LYS N N 2 121.755 121.755 124.047 -2.292 19532 2 1 . 1 1 2 2 LYS HA H 2 3.971 3.971 4.158 -0.187 19532 3 1 . 1 1 2 2 LYS C C 2 176.772 176.772 177.907 -1.135 19532 4 1 . 1 1 2 2 LYS CA C 2 59.061 59.061 58.254 0.807 19532 5 1 . 1 1 2 2 LYS CB C 2 31.709 31.709 32.619 -0.909 19532 6 1 . 1 1 2 2 LYS H H 2 8.561 8.561 8.593 -0.032 19532 7 1 . 1 1 3 3 THR N N 3 113.102 113.102 115.719 -2.617 19532 8 1 . 1 1 3 3 THR HA H 3 3.992 3.992 3.906 0.086 19532 9 1 . 1 1 3 3 THR C C 3 174.816 174.816 176.501 -1.685 19532 10 1 . 1 1 3 3 THR CA C 3 64.722 64.722 66.677 -1.955 19532 11 1 . 1 1 3 3 THR CB C 3 68.109 68.109 68.228 -0.118 19532 12 1 . 1 1 3 3 THR H H 3 8.021 8.021 8.244 -0.223 19532 13 1 . 1 1 4 4 ASN N N 4 118.987 118.987 119.678 -0.691 19532 14 1 . 1 1 4 4 ASN HA H 4 4.509 4.509 4.403 0.106 19532 15 1 . 1 1 4 4 ASN C C 4 176.357 176.357 177.639 -1.282 19532 16 1 . 1 1 4 4 ASN CA C 4 55.145 55.145 56.232 -1.087 19532 17 1 . 1 1 4 4 ASN CB C 4 37.451 37.451 38.305 -0.855 19532 18 1 . 1 1 4 4 ASN H H 4 7.658 7.658 7.760 -0.102 19532 19 1 . 1 1 5 5 LEU N N 5 118.509 118.509 120.349 -1.841 19532 20 1 . 1 1 5 5 LEU HA H 5 4.036 4.036 3.861 0.175 19532 21 1 . 1 1 5 5 LEU C C 5 177.875 177.875 178.791 -0.916 19532 22 1 . 1 1 5 5 LEU CA C 5 57.402 57.402 58.269 -0.867 19532 23 1 . 1 1 5 5 LEU CB C 5 41.100 41.100 41.423 -0.323 19532 24 1 . 1 1 5 5 LEU H H 5 7.795 7.795 7.865 -0.070 19532 25 1 . 1 1 6 6 GLU N N 6 116.513 116.513 118.552 -2.039 19532 26 1 . 1 1 6 6 GLU HA H 6 3.828 3.828 3.897 -0.069 19532 27 1 . 1 1 6 6 GLU C C 6 176.892 176.892 179.519 -2.627 19532 28 1 . 1 1 6 6 GLU CA C 6 59.213 59.213 59.692 -0.479 19532 29 1 . 1 1 6 6 GLU CB C 6 27.065 27.065 29.329 -2.264 19532 30 1 . 1 1 6 6 GLU H H 6 8.053 8.053 8.102 -0.049 19532 31 1 . 1 1 7 7 ILE N N 7 118.435 118.435 119.804 -1.369 19532 32 1 . 1 1 7 7 ILE HA H 7 3.674 3.674 3.812 -0.138 19532 33 1 . 1 1 7 7 ILE C C 7 176.630 176.630 177.895 -1.265 19532 34 1 . 1 1 7 7 ILE CA C 7 64.697 64.697 65.097 -0.400 19532 35 1 . 1 1 7 7 ILE CB C 7 36.812 36.812 38.109 -1.297 19532 36 1 . 1 1 7 7 ILE H H 7 7.854 7.854 7.824 0.030 19532 37 1 . 1 1 8 8 ILE N N 8 119.327 119.327 121.231 -1.904 19532 38 1 . 1 1 8 8 ILE HA H 8 3.521 3.521 3.574 -0.053 19532 39 1 . 1 1 8 8 ILE C C 8 176.772 176.772 178.235 -1.463 19532 40 1 . 1 1 8 8 ILE CA C 8 65.329 65.329 65.903 -0.574 19532 41 1 . 1 1 8 8 ILE CB C 8 36.806 36.806 37.636 -0.830 19532 42 1 . 1 1 8 8 ILE H H 8 7.727 7.727 8.110 -0.383 19532 43 1 . 1 1 9 9 ILE N N 9 119.384 119.384 120.226 -0.842 19532 44 1 . 1 1 9 9 ILE HA H 9 3.889 3.889 3.678 0.211 19532 45 1 . 1 1 9 9 ILE C C 9 179.110 179.110 177.797 1.313 19532 46 1 . 1 1 9 9 ILE CA C 9 64.323 64.323 65.664 -1.341 19532 47 1 . 1 1 9 9 ILE CB C 9 36.928 36.928 38.099 -1.170 19532 48 1 . 1 1 9 9 ILE H H 9 7.843 7.843 8.232 -0.389 19532 49 1 . 1 1 10 10 LEU N N 10 124.980 124.980 120.198 4.781 19532 50 1 . 1 1 10 10 LEU HA H 10 3.971 3.971 3.862 0.110 19532 51 1 . 1 1 10 10 LEU C C 10 177.121 177.121 179.183 -2.062 19532 52 1 . 1 1 10 10 LEU CA C 10 58.882 58.882 58.240 0.642 19532 53 1 . 1 1 10 10 LEU CB C 10 41.069 41.069 41.329 -0.260 19532 54 1 . 1 1 10 10 LEU H H 10 8.333 8.333 7.643 0.690 19532 55 1 . 1 1 11 11 VAL N N 11 117.153 117.153 118.096 -0.944 19532 56 1 . 1 1 11 11 VAL HA H 11 3.499 3.499 3.533 -0.034 19532 57 1 . 1 1 11 11 VAL C C 11 177.471 177.471 178.179 -0.708 19532 58 1 . 1 1 11 11 VAL CA C 11 66.507 66.507 66.540 -0.032 19532 59 1 . 1 1 11 11 VAL CB C 11 30.824 30.824 30.884 -0.060 19532 60 1 . 1 1 11 11 VAL H H 11 8.270 8.270 8.675 -0.405 19532 61 1 . 1 1 12 12 GLU N N 12 116.588 116.588 119.943 -3.355 19532 62 1 . 1 1 12 12 GLU HA H 12 3.732 3.732 3.882 -0.150 19532 63 1 . 1 1 12 12 GLU C C 12 177.471 177.471 179.184 -1.713 19532 64 1 . 1 1 12 12 GLU CA C 12 61.018 61.018 60.227 0.791 19532 65 1 . 1 1 12 12 GLU CB C 12 26.937 26.937 29.310 -2.373 19532 66 1 . 1 1 12 12 GLU H H 12 9.137 9.137 7.804 1.333 19532 67 1 . 1 1 13 13 THR N N 13 116.250 116.250 115.815 0.435 19532 68 1 . 1 1 13 13 THR HA H 13 3.732 3.732 3.974 -0.242 19532 69 1 . 1 1 13 13 THR C C 13 174.597 174.597 176.432 -1.835 19532 70 1 . 1 1 13 13 THR CA C 13 67.291 67.291 66.817 0.474 19532 71 1 . 1 1 13 13 THR CB C 13 68.249 68.249 68.596 -0.347 19532 72 1 . 1 1 13 13 THR H H 13 8.527 8.527 7.933 0.594 19532 73 1 . 1 1 14 14 ALA N N 14 122.920 122.920 123.600 -0.680 19532 74 1 . 1 1 14 14 ALA HA H 14 3.943 3.943 4.057 -0.114 19532 75 1 . 1 1 14 14 ALA C C 14 178.455 178.455 179.914 -1.459 19532 76 1 . 1 1 14 14 ALA CA C 14 54.946 54.946 54.934 0.012 19532 77 1 . 1 1 14 14 ALA CB C 14 17.106 17.106 18.082 -0.976 19532 78 1 . 1 1 14 14 ALA H H 14 7.810 7.810 7.730 0.080 19532 79 1 . 1 1 15 15 VAL N N 15 118.461 118.461 120.474 -2.013 19532 80 1 . 1 1 15 15 VAL HA H 15 3.522 3.522 3.733 -0.211 19532 81 1 . 1 1 15 15 VAL C C 15 177.318 177.318 178.248 -0.930 19532 82 1 . 1 1 15 15 VAL CA C 15 66.820 66.820 66.331 0.489 19532 83 1 . 1 1 15 15 VAL CB C 15 30.969 30.969 31.806 -0.837 19532 84 1 . 1 1 15 15 VAL H H 15 8.279 8.279 8.236 0.043 19532 85 1 . 1 1 16 16 ILE N N 16 120.977 120.977 119.915 1.062 19532 86 1 . 1 1 16 16 ILE HA H 16 3.959 3.959 3.744 0.215 19532 87 1 . 1 1 16 16 ILE C C 16 179.667 179.667 178.050 1.617 19532 88 1 . 1 1 16 16 ILE CA C 16 64.513 64.513 64.397 0.117 19532 89 1 . 1 1 16 16 ILE CB C 16 36.631 36.631 36.892 -0.261 19532 90 1 . 1 1 16 16 ILE H H 16 8.513 8.513 8.183 0.330 19532 91 1 . 1 1 17 17 ALA N N 17 122.195 122.195 121.270 0.925 19532 92 1 . 1 1 17 17 ALA HA H 17 4.085 4.085 4.162 -0.077 19532 93 1 . 1 1 17 17 ALA C C 17 177.701 177.701 179.898 -2.197 19532 94 1 . 1 1 17 17 ALA CA C 17 54.890 54.890 55.262 -0.372 19532 95 1 . 1 1 17 17 ALA CB C 17 17.352 17.352 18.274 -0.922 19532 96 1 . 1 1 17 17 ALA H H 17 8.041 8.041 7.858 0.183 19532 97 1 . 1 1 18 18 MET N N 18 117.769 117.769 118.510 -0.741 19532 98 1 . 1 1 18 18 MET HA H 18 4.240 4.240 4.378 -0.138 19532 99 1 . 1 1 18 18 MET C C 18 177.864 177.864 178.723 -0.859 19532 100 1 . 1 1 18 18 MET CA C 18 58.887 58.887 59.692 -0.805 19532 101 1 . 1 1 18 18 MET CB C 18 32.366 32.366 32.583 -0.216 19532 102 1 . 1 1 18 18 MET H H 18 8.631 8.631 8.380 0.251 19532 103 1 . 1 1 19 19 GLU N N 19 115.854 115.854 120.002 -4.148 19532 104 1 . 1 1 19 19 GLU HA H 19 3.905 3.905 3.924 -0.019 19532 105 1 . 1 1 19 19 GLU C C 19 176.531 176.531 179.154 -2.623 19532 106 1 . 1 1 19 19 GLU CA C 19 59.333 59.333 59.548 -0.215 19532 107 1 . 1 1 19 19 GLU CB C 19 27.157 27.157 29.361 -2.204 19532 108 1 . 1 1 19 19 GLU H H 19 8.925 8.925 8.234 0.691 19532 109 1 . 1 1 20 20 PHE N N 20 119.967 119.967 119.469 0.498 19532 110 1 . 1 1 20 20 PHE HA H 20 4.178 4.178 4.290 -0.112 19532 111 1 . 1 1 20 20 PHE C C 20 176.051 176.051 177.079 -1.027 19532 112 1 . 1 1 20 20 PHE CA C 20 61.141 61.141 60.388 0.753 19532 113 1 . 1 1 20 20 PHE CB C 20 38.231 38.231 39.170 -0.939 19532 114 1 . 1 1 20 20 PHE H H 20 8.114 8.114 8.084 0.030 19532 115 1 . 1 1 21 21 TRP N N 21 119.487 119.487 121.325 -1.838 19532 116 1 . 1 1 21 21 TRP HA H 21 4.189 4.189 4.175 0.014 19532 117 1 . 1 1 21 21 TRP C C 21 176.652 176.652 177.452 -0.800 19532 118 1 . 1 1 21 21 TRP CA C 21 60.373 60.373 60.568 -0.195 19532 119 1 . 1 1 21 21 TRP CB C 21 28.221 28.221 29.221 -1.000 19532 120 1 . 1 1 21 21 TRP H H 21 8.581 8.581 8.343 0.238 19532 121 1 . 1 1 22 22 LEU N N 22 116.968 116.968 120.652 -3.684 19532 122 1 . 1 1 22 22 LEU HA H 22 3.749 3.749 2.772 0.978 19532 123 1 . 1 1 22 22 LEU C C 22 177.548 177.548 178.643 -1.095 19532 124 1 . 1 1 22 22 LEU CA C 22 57.505 57.505 57.744 -0.239 19532 125 1 . 1 1 22 22 LEU CB C 22 41.329 41.329 41.088 0.241 19532 126 1 . 1 1 22 22 LEU H H 22 8.140 8.140 8.304 -0.164 19532 127 1 . 1 1 23 23 LEU N N 23 118.881 118.881 118.814 0.067 19532 128 1 . 1 1 23 23 LEU HA H 23 3.762 3.762 3.752 0.010 19532 129 1 . 1 1 23 23 LEU C C 23 177.559 177.559 179.293 -1.734 19532 130 1 . 1 1 23 23 LEU CA C 23 57.922 57.922 58.042 -0.120 19532 131 1 . 1 1 23 23 LEU CB C 23 41.351 41.351 41.755 -0.404 19532 132 1 . 1 1 23 23 LEU H H 23 8.109 8.109 7.732 0.377 19532 133 1 . 1 1 24 24 LEU N N 24 118.480 118.480 118.941 -0.461 19532 134 1 . 1 1 24 24 LEU HA H 24 3.707 3.707 3.708 -0.001 19532 135 1 . 1 1 24 24 LEU C C 24 178.138 178.138 178.733 -0.595 19532 136 1 . 1 1 24 24 LEU CA C 24 57.727 57.727 57.885 -0.158 19532 137 1 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.549 -0.846 19532 138 1 . 1 1 24 24 LEU H H 24 8.175 8.175 7.720 0.455 19532 139 1 . 1 1 25 25 VAL N N 25 117.639 117.639 119.905 -2.266 19532 140 1 . 1 1 25 25 VAL HA H 25 3.425 3.425 3.496 -0.071 19532 141 1 . 1 1 25 25 VAL C C 25 177.919 177.919 177.665 0.254 19532 142 1 . 1 1 25 25 VAL CA C 25 66.412 66.412 67.103 -0.691 19532 143 1 . 1 1 25 25 VAL CB C 25 30.598 30.598 31.622 -1.024 19532 144 1 . 1 1 25 25 VAL H H 25 8.247 8.247 8.050 0.197 19532 145 1 . 1 1 26 26 ILE N N 26 119.157 119.157 118.754 0.403 19532 146 1 . 1 1 26 26 ILE HA H 26 3.592 3.592 3.603 -0.011 19532 147 1 . 1 1 26 26 ILE C C 26 178.973 178.973 178.514 0.459 19532 148 1 . 1 1 26 26 ILE CA C 26 64.710 64.710 65.219 -0.509 19532 149 1 . 1 1 26 26 ILE CB C 26 36.943 36.943 37.217 -0.274 19532 150 1 . 1 1 26 26 ILE H H 26 8.202 8.202 8.241 -0.039 19532 151 1 . 1 1 27 27 ILE N N 27 123.208 123.208 120.222 2.986 19532 152 1 . 1 1 27 27 ILE HA H 27 3.546 3.546 3.679 -0.133 19532 153 1 . 1 1 27 27 ILE C C 27 177.416 177.416 177.644 -0.228 19532 154 1 . 1 1 27 27 ILE CA C 27 65.361 65.361 65.371 -0.010 19532 155 1 . 1 1 27 27 ILE CB C 27 36.861 36.861 37.965 -1.104 19532 156 1 . 1 1 27 27 ILE H H 27 8.744 8.744 7.844 0.900 19532 157 1 . 1 1 28 28 LEU N N 28 120.044 120.044 121.104 -1.060 19532 158 1 . 1 1 28 28 LEU HA H 28 3.973 3.973 3.894 0.079 19532 159 1 . 1 1 28 28 LEU C C 28 178.771 178.771 178.912 -0.141 19532 160 1 . 1 1 28 28 LEU CA C 28 57.575 57.575 58.503 -0.928 19532 161 1 . 1 1 28 28 LEU CB C 28 40.649 40.649 41.694 -1.045 19532 162 1 . 1 1 28 28 LEU H H 28 8.752 8.752 8.225 0.527 19532 163 1 . 1 1 29 29 ARG N N 29 116.435 116.435 117.976 -1.541 19532 164 1 . 1 1 29 29 ARG HA H 29 4.046 4.046 3.953 0.093 19532 165 1 . 1 1 29 29 ARG C C 29 177.555 177.555 178.876 -1.321 19532 166 1 . 1 1 29 29 ARG CA C 29 57.662 57.662 59.931 -2.269 19532 167 1 . 1 1 29 29 ARG CB C 29 29.532 29.532 29.949 -0.417 19532 168 1 . 1 1 29 29 ARG H H 29 8.085 8.085 8.718 -0.633 19532 169 1 . 1 1 30 30 THR N N 30 113.598 113.598 116.607 -3.009 19532 170 1 . 1 1 30 30 THR HA H 30 4.078 4.078 3.994 0.083 19532 171 1 . 1 1 30 30 THR C C 30 175.493 175.493 176.485 -0.992 19532 172 1 . 1 1 30 30 THR CA C 30 64.777 64.777 66.592 -1.815 19532 173 1 . 1 1 30 30 THR CB C 30 68.437 68.437 68.517 -0.080 19532 174 1 . 1 1 30 30 THR H H 30 7.874 7.874 7.542 0.332 19532 175 1 . 1 1 31 31 VAL N N 31 120.483 120.483 120.868 -0.385 19532 176 1 . 1 1 31 31 VAL HA H 31 3.866 3.866 3.548 0.318 19532 177 1 . 1 1 31 31 VAL C C 31 176.313 176.313 177.894 -1.581 19532 178 1 . 1 1 31 31 VAL CA C 31 64.224 64.224 66.510 -2.286 19532 179 1 . 1 1 31 31 VAL CB C 31 31.281 31.281 31.497 -0.216 19532 180 1 . 1 1 31 31 VAL H H 31 8.197 8.197 8.114 0.082 19532 181 1 . 1 1 32 32 LYS N N 32 120.587 120.587 118.352 2.235 19532 182 1 . 1 1 32 32 LYS HA H 32 4.200 4.200 4.055 0.145 19532 183 1 . 1 1 32 32 LYS C C 32 176.794 176.794 178.385 -1.591 19532 184 1 . 1 1 32 32 LYS CA C 32 56.963 56.963 59.387 -2.424 19532 185 1 . 1 1 32 32 LYS CB C 32 31.726 31.726 32.264 -0.538 19532 186 1 . 1 1 32 32 LYS H H 32 7.954 7.954 7.925 0.029 19532 187 1 . 1 1 33 33 ARG N N 33 119.980 119.980 119.152 0.828 19532 188 1 . 1 1 33 33 ARG HA H 33 4.225 4.225 4.024 0.201 19532 189 1 . 1 1 33 33 ARG C C 33 176.313 176.313 177.936 -1.623 19532 190 1 . 1 1 33 33 ARG CA C 33 56.264 56.264 58.821 -2.557 19532 191 1 . 1 1 33 33 ARG CB C 33 29.740 29.740 29.178 0.562 19532 192 1 . 1 1 33 33 ARG H H 33 7.877 7.877 7.909 -0.032 19532 193 1 . 1 1 34 34 ALA N N 34 123.682 123.682 120.892 2.789 19532 194 1 . 1 1 34 34 ALA HA H 34 4.277 4.277 4.194 0.083 19532 195 1 . 1 1 34 34 ALA C C 34 177.085 177.085 179.178 -2.093 19532 196 1 . 1 1 34 34 ALA CA C 34 52.523 52.523 54.299 -1.776 19532 197 1 . 1 1 34 34 ALA CB C 34 18.317 18.317 18.518 -0.201 19532 198 1 . 1 1 34 34 ALA H H 34 8.105 8.105 7.649 0.456 19532 199 1 . 1 1 35 35 ASN N N 35 116.786 116.786 116.705 0.081 19532 200 1 . 1 1 35 35 ASN HA H 35 4.722 4.722 4.594 0.128 19532 201 1 . 1 1 35 35 ASN C C 35 174.979 174.979 177.007 -2.029 19532 202 1 . 1 1 35 35 ASN CA C 35 52.886 52.886 54.202 -1.316 19532 203 1 . 1 1 35 35 ASN CB C 35 38.625 38.625 38.684 -0.059 19532 204 1 . 1 1 35 35 ASN H H 35 8.134 8.134 7.976 0.158 19532 205 1 . 1 1 36 36 GLY N N 36 108.843 108.843 106.691 2.152 19532 206 1 . 1 1 36 36 GLY C C 36 173.341 173.341 174.293 -0.952 19532 207 1 . 1 1 36 36 GLY CA C 36 44.888 44.888 45.409 -0.521 19532 208 1 . 1 1 36 36 GLY H H 36 8.113 8.113 7.897 0.216 19532 stop_ save_