data_19041 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19041 _Entry.PDB_ID 2M59 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 19041 _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 2 121.643 121.643 120.047 1.596 19041 2 1 1 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.013 0.567 19041 3 1 1 . 1 1 2 2 LYS C C 2 176.249 176.249 178.587 -2.338 19041 4 1 1 . 1 1 2 2 LYS CA C 2 57.181 57.181 60.164 -2.983 19041 5 1 1 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.579 -0.458 19041 6 1 1 . 1 1 2 2 LYS H H 2 8.371 8.371 8.625 -0.254 19041 7 1 1 . 1 1 3 3 THR N N 3 113.909 113.909 112.278 1.631 19041 8 1 1 . 1 1 3 3 THR HA H 3 4.165 4.165 3.967 0.198 19041 9 1 1 . 1 1 3 3 THR C C 3 174.259 174.259 176.710 -2.451 19041 10 1 1 . 1 1 3 3 THR CA C 3 63.240 63.240 66.018 -2.778 19041 11 1 1 . 1 1 3 3 THR CB C 3 68.478 68.478 68.142 0.336 19041 12 1 1 . 1 1 3 3 THR H H 3 8.062 8.062 8.425 -0.363 19041 13 1 1 . 1 1 4 4 ASN N N 4 120.010 120.010 120.581 -0.571 19041 14 1 1 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.397 0.216 19041 15 1 1 . 1 1 4 4 ASN C C 4 175.727 175.727 177.761 -2.034 19041 16 1 1 . 1 1 4 4 ASN CA C 4 54.172 54.172 55.971 -1.799 19041 17 1 1 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.712 -0.082 19041 18 1 1 . 1 1 4 4 ASN H H 4 8.094 8.094 8.479 -0.385 19041 19 1 1 . 1 1 5 5 LEU N N 5 121.143 121.143 121.293 -0.150 19041 20 1 1 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.016 0.050 19041 21 1 1 . 1 1 5 5 LEU C C 5 177.205 177.205 178.464 -1.259 19041 22 1 1 . 1 1 5 5 LEU CA C 5 57.390 57.390 58.046 -0.656 19041 23 1 1 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.825 -0.432 19041 24 1 1 . 1 1 5 5 LEU H H 5 8.143 8.143 7.717 0.426 19041 25 1 1 . 1 1 6 6 GLU N N 6 116.843 116.843 119.758 -2.915 19041 26 1 1 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.949 -0.133 19041 27 1 1 . 1 1 6 6 GLU C C 6 177.020 177.020 179.451 -2.431 19041 28 1 1 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.480 0.253 19041 29 1 1 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.090 -1.211 19041 30 1 1 . 1 1 6 6 GLU H H 6 8.425 8.425 8.157 0.268 19041 31 1 1 . 1 1 7 7 ILE N N 7 117.010 117.010 120.078 -3.068 19041 32 1 1 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.734 0.022 19041 33 1 1 . 1 1 7 7 ILE C C 7 176.466 176.466 177.942 -1.476 19041 34 1 1 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.255 -1.142 19041 35 1 1 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.876 -0.886 19041 36 1 1 . 1 1 7 7 ILE H H 7 7.718 7.718 7.958 -0.240 19041 37 1 1 . 1 1 8 8 ILE N N 8 119.491 119.491 120.306 -0.815 19041 38 1 1 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.553 0.076 19041 39 1 1 . 1 1 8 8 ILE C C 8 177.097 177.097 178.151 -1.054 19041 40 1 1 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.779 -0.817 19041 41 1 1 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.678 -0.671 19041 42 1 1 . 1 1 8 8 ILE H H 8 7.796 7.796 7.564 0.232 19041 43 1 1 . 1 1 9 9 ILE N N 9 118.434 118.434 119.484 -1.050 19041 44 1 1 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.674 0.043 19041 45 1 1 . 1 1 9 9 ILE C C 9 178.010 178.010 178.264 -0.254 19041 46 1 1 . 1 1 9 9 ILE CA C 9 64.576 64.576 64.457 0.119 19041 47 1 1 . 1 1 9 9 ILE CB C 9 36.919 36.919 36.450 0.469 19041 48 1 1 . 1 1 9 9 ILE H H 9 8.242 8.242 8.410 -0.168 19041 49 1 1 . 1 1 10 10 LEU N N 10 122.496 122.496 120.980 1.516 19041 50 1 1 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.001 0.081 19041 51 1 1 . 1 1 10 10 LEU C C 10 177.455 177.455 180.044 -2.589 19041 52 1 1 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.538 -0.109 19041 53 1 1 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.880 0.635 19041 54 1 1 . 1 1 10 10 LEU H H 10 8.199 8.199 7.807 0.392 19041 55 1 1 . 1 1 11 11 VAL N N 11 117.697 117.697 118.256 -0.559 19041 56 1 1 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.542 0.016 19041 57 1 1 . 1 1 11 11 VAL C C 11 177.140 177.140 178.077 -0.937 19041 58 1 1 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.903 -0.617 19041 59 1 1 . 1 1 11 11 VAL CB C 11 30.916 30.916 31.387 -0.471 19041 60 1 1 . 1 1 11 11 VAL H H 11 8.620 8.620 8.055 0.565 19041 61 1 1 . 1 1 12 12 GLY N N 12 106.308 106.308 106.094 0.214 19041 62 1 1 . 1 1 12 12 GLY C C 12 178.053 178.053 175.744 2.309 19041 63 1 1 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.532 -0.558 19041 64 1 1 . 1 1 12 12 GLY H H 12 8.822 8.822 8.098 0.724 19041 65 1 1 . 1 1 13 13 THR N N 13 114.187 114.187 116.591 -2.404 19041 66 1 1 . 1 1 13 13 THR HA H 13 3.838 3.838 4.030 -0.192 19041 67 1 1 . 1 1 13 13 THR C C 13 175.194 175.194 176.615 -1.421 19041 68 1 1 . 1 1 13 13 THR CA C 13 66.851 66.851 66.084 0.767 19041 69 1 1 . 1 1 13 13 THR CB C 13 68.420 68.420 68.815 -0.395 19041 70 1 1 . 1 1 13 13 THR H H 13 8.290 8.290 8.293 -0.003 19041 71 1 1 . 1 1 14 14 ALA N N 14 124.415 124.415 124.452 -0.037 19041 72 1 1 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.092 -0.366 19041 73 1 1 . 1 1 14 14 ALA C C 14 178.216 178.216 179.555 -1.339 19041 74 1 1 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.032 -0.069 19041 75 1 1 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.233 -1.053 19041 76 1 1 . 1 1 14 14 ALA H H 14 7.831 7.831 8.364 -0.533 19041 77 1 1 . 1 1 15 15 VAL N N 15 116.690 116.690 119.649 -2.959 19041 78 1 1 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.683 -0.158 19041 79 1 1 . 1 1 15 15 VAL CA C 15 66.460 66.460 66.777 -0.317 19041 80 1 1 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.521 -0.801 19041 81 1 1 . 1 1 15 15 VAL H H 15 8.128 8.128 7.743 0.385 19041 82 1 1 . 1 1 16 16 ILE N N 16 118.922 118.922 119.559 -0.637 19041 83 1 1 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.639 0.007 19041 84 1 1 . 1 1 16 16 ILE C C 16 176.857 176.857 178.017 -1.160 19041 85 1 1 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.543 1.236 19041 86 1 1 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.308 0.404 19041 87 1 1 . 1 1 16 16 ILE H H 16 7.948 7.948 7.748 0.200 19041 88 1 1 . 1 1 17 17 ALA N N 17 121.524 121.524 122.720 -1.196 19041 89 1 1 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.252 -0.314 19041 90 1 1 . 1 1 17 17 ALA C C 17 178.412 178.412 179.779 -1.367 19041 91 1 1 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.274 -0.157 19041 92 1 1 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.222 -0.544 19041 93 1 1 . 1 1 17 17 ALA H H 17 8.407 8.407 8.035 0.372 19041 94 1 1 . 1 1 18 18 MET N N 18 116.280 116.280 118.794 -2.514 19041 95 1 1 . 1 1 18 18 MET HA H 18 4.197 4.197 4.202 -0.005 19041 96 1 1 . 1 1 18 18 MET C C 18 177.347 177.347 178.178 -0.831 19041 97 1 1 . 1 1 18 18 MET CA C 18 58.791 58.791 58.001 0.790 19041 98 1 1 . 1 1 18 18 MET CB C 18 32.163 32.163 32.389 -0.226 19041 99 1 1 . 1 1 18 18 MET H H 18 8.322 8.322 7.821 0.501 19041 100 1 1 . 1 1 19 19 PHE N N 19 118.720 118.720 119.961 -1.241 19041 101 1 1 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.101 0.100 19041 102 1 1 . 1 1 19 19 PHE C C 19 176.162 176.162 177.466 -1.304 19041 103 1 1 . 1 1 19 19 PHE CA C 19 60.912 60.912 62.062 -1.150 19041 104 1 1 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.663 -0.424 19041 105 1 1 . 1 1 19 19 PHE H H 19 8.402 8.402 8.077 0.325 19041 106 1 1 . 1 1 20 20 PHE N N 20 118.374 118.374 118.323 0.051 19041 107 1 1 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.203 -0.184 19041 108 1 1 . 1 1 20 20 PHE CA C 20 61.436 61.436 62.015 -0.579 19041 109 1 1 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.490 -0.150 19041 110 1 1 . 1 1 20 20 PHE H H 20 8.542 8.542 8.060 0.482 19041 111 1 1 . 1 1 21 21 TRP N N 21 119.404 119.404 120.590 -1.186 19041 112 1 1 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.280 0.021 19041 113 1 1 . 1 1 21 21 TRP H H 21 8.530 8.530 8.247 0.283 19041 114 1 1 . 1 1 22 22 LEU N N 22 118.425 118.425 119.512 -1.087 19041 115 1 1 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.898 -0.088 19041 116 1 1 . 1 1 22 22 LEU C C 22 177.770 177.770 178.925 -1.155 19041 117 1 1 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.595 -1.049 19041 118 1 1 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.719 -0.628 19041 119 1 1 . 1 1 22 22 LEU H H 22 8.275 8.275 7.958 0.317 19041 120 1 1 . 1 1 23 23 LEU N N 23 118.342 118.342 120.114 -1.772 19041 121 1 1 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.028 -0.225 19041 122 1 1 . 1 1 23 23 LEU C C 23 177.738 177.738 178.718 -0.980 19041 123 1 1 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.293 -0.576 19041 124 1 1 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.990 -1.181 19041 125 1 1 . 1 1 23 23 LEU H H 23 8.158 8.158 8.701 -0.543 19041 126 1 1 . 1 1 24 24 LEU N N 24 118.660 118.660 119.755 -1.095 19041 127 1 1 . 1 1 24 24 LEU HA H 24 3.785 3.785 3.994 -0.209 19041 128 1 1 . 1 1 24 24 LEU C C 24 178.031 178.031 178.478 -0.447 19041 129 1 1 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.069 -0.218 19041 130 1 1 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.778 -1.075 19041 131 1 1 . 1 1 24 24 LEU H H 24 8.060 8.060 8.229 -0.169 19041 132 1 1 . 1 1 25 25 VAL N N 25 118.249 118.249 119.495 -1.246 19041 133 1 1 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.367 0.087 19041 134 1 1 . 1 1 25 25 VAL C C 25 177.314 177.314 178.010 -0.696 19041 135 1 1 . 1 1 25 25 VAL CA C 25 66.805 66.805 66.962 -0.157 19041 136 1 1 . 1 1 25 25 VAL CB C 25 30.758 30.758 31.556 -0.798 19041 137 1 1 . 1 1 25 25 VAL H H 25 8.145 8.145 7.452 0.693 19041 138 1 1 . 1 1 26 26 ILE N N 26 119.609 119.609 119.754 -0.145 19041 139 1 1 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.561 0.028 19041 140 1 1 . 1 1 26 26 ILE C C 26 179.140 179.140 178.003 1.137 19041 141 1 1 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.466 -0.461 19041 142 1 1 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.637 -0.762 19041 143 1 1 . 1 1 26 26 ILE H H 26 8.305 8.305 7.650 0.655 19041 144 1 1 . 1 1 27 27 ILE N N 27 123.241 123.241 119.860 3.381 19041 145 1 1 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.622 -0.054 19041 146 1 1 . 1 1 27 27 ILE C C 27 177.292 177.292 178.021 -0.729 19041 147 1 1 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.730 -0.179 19041 148 1 1 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.812 -0.871 19041 149 1 1 . 1 1 27 27 ILE H H 27 8.780 8.780 7.729 1.051 19041 150 1 1 . 1 1 28 28 LEU N N 28 120.378 120.378 118.909 1.469 19041 151 1 1 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.931 0.052 19041 152 1 1 . 1 1 28 28 LEU C C 28 178.412 178.412 179.225 -0.813 19041 153 1 1 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.715 0.201 19041 154 1 1 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.080 -0.218 19041 155 1 1 . 1 1 28 28 LEU H H 28 8.748 8.748 7.902 0.846 19041 156 1 1 . 1 1 29 29 ARG N N 29 117.043 117.043 119.911 -2.868 19041 157 1 1 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.033 -0.043 19041 158 1 1 . 1 1 29 29 ARG C C 29 177.684 177.684 178.825 -1.141 19041 159 1 1 . 1 1 29 29 ARG CA C 29 58.370 58.370 59.954 -1.584 19041 160 1 1 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.053 -0.519 19041 161 1 1 . 1 1 29 29 ARG H H 29 8.479 8.479 8.153 0.326 19041 162 1 1 . 1 1 30 30 THR N N 30 115.547 115.547 115.369 0.178 19041 163 1 1 . 1 1 30 30 THR HA H 30 4.016 4.016 4.073 -0.057 19041 164 1 1 . 1 1 30 30 THR C C 30 175.727 175.727 176.732 -1.005 19041 165 1 1 . 1 1 30 30 THR CA C 30 65.740 65.740 66.801 -1.061 19041 166 1 1 . 1 1 30 30 THR CB C 30 68.362 68.362 68.533 -0.171 19041 167 1 1 . 1 1 30 30 THR H H 30 7.973 7.973 7.913 0.060 19041 168 1 1 . 1 1 31 31 VAL N N 31 120.909 120.909 120.522 0.387 19041 169 1 1 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.735 0.070 19041 170 1 1 . 1 1 31 31 VAL C C 31 176.694 176.694 177.352 -0.658 19041 171 1 1 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.236 -1.362 19041 172 1 1 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.316 -0.181 19041 173 1 1 . 1 1 31 31 VAL H H 31 8.344 8.344 7.815 0.529 19041 174 1 1 . 1 1 32 32 LYS N N 32 120.269 120.269 119.894 0.375 19041 175 1 1 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.046 0.136 19041 176 1 1 . 1 1 32 32 LYS C C 32 177.183 177.183 179.052 -1.869 19041 177 1 1 . 1 1 32 32 LYS CA C 32 57.422 57.422 59.056 -1.634 19041 178 1 1 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.277 -0.424 19041 179 1 1 . 1 1 32 32 LYS H H 32 8.082 8.082 7.967 0.115 19041 180 1 1 . 1 1 33 33 ARG N N 33 119.458 119.458 118.699 0.759 19041 181 1 1 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.148 0.070 19041 182 1 1 . 1 1 33 33 ARG C C 33 176.879 176.879 178.296 -1.417 19041 183 1 1 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.476 -1.688 19041 184 1 1 . 1 1 33 33 ARG CB C 33 29.932 29.932 30.001 -0.069 19041 185 1 1 . 1 1 33 33 ARG H H 33 7.885 7.885 7.758 0.127 19041 186 1 1 . 1 1 34 34 ALA N N 34 123.244 123.244 121.736 1.508 19041 187 1 1 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.165 0.114 19041 188 1 1 . 1 1 34 34 ALA C C 34 177.162 177.162 179.493 -2.331 19041 189 1 1 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.682 -1.980 19041 190 1 1 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.355 -0.096 19041 191 1 1 . 1 1 34 34 ALA H H 34 8.106 8.106 7.629 0.477 19041 192 1 1 . 1 1 35 35 ASN N N 35 116.546 116.546 117.351 -0.805 19041 193 1 1 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.471 0.254 19041 194 1 1 . 1 1 35 35 ASN C C 35 174.912 174.912 177.615 -2.703 19041 195 1 1 . 1 1 35 35 ASN CA C 35 52.843 52.843 55.353 -2.510 19041 196 1 1 . 1 1 35 35 ASN CB C 35 38.810 38.810 38.455 0.355 19041 197 1 1 . 1 1 35 35 ASN H H 35 8.057 8.057 7.809 0.248 19041 198 1 1 . 1 1 36 36 GLY N N 36 108.684 108.684 106.995 1.689 19041 199 1 1 . 1 1 36 36 GLY C C 36 173.118 173.118 174.303 -1.185 19041 200 1 1 . 1 1 36 36 GLY CA C 36 45.077 45.077 45.271 -0.194 19041 201 1 1 . 1 1 36 36 GLY H H 36 8.075 8.075 7.817 0.258 19041 202 1 2 . 1 1 2 2 LYS N N 2 121.643 121.643 120.673 0.970 19041 203 1 2 . 1 1 2 2 LYS HA H 2 4.580 4.580 3.984 0.596 19041 204 1 2 . 1 1 2 2 LYS C C 2 176.249 176.249 178.192 -1.943 19041 205 1 2 . 1 1 2 2 LYS CA C 2 57.181 57.181 60.038 -2.857 19041 206 1 2 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.542 -0.421 19041 207 1 2 . 1 1 2 2 LYS H H 2 8.371 8.371 8.667 -0.296 19041 208 1 2 . 1 1 3 3 THR N N 3 113.909 113.909 112.974 0.935 19041 209 1 2 . 1 1 3 3 THR HA H 3 4.165 4.165 3.982 0.183 19041 210 1 2 . 1 1 3 3 THR C C 3 174.259 174.259 176.246 -1.987 19041 211 1 2 . 1 1 3 3 THR CA C 3 63.240 63.240 66.600 -3.360 19041 212 1 2 . 1 1 3 3 THR CB C 3 68.478 68.478 67.894 0.584 19041 213 1 2 . 1 1 3 3 THR H H 3 8.062 8.062 8.342 -0.280 19041 214 1 2 . 1 1 4 4 ASN N N 4 120.010 120.010 119.475 0.535 19041 215 1 2 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.461 0.152 19041 216 1 2 . 1 1 4 4 ASN C C 4 175.727 175.727 177.845 -2.118 19041 217 1 2 . 1 1 4 4 ASN CA C 4 54.172 54.172 55.903 -1.731 19041 218 1 2 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.587 0.043 19041 219 1 2 . 1 1 4 4 ASN H H 4 8.094 8.094 8.767 -0.673 19041 220 1 2 . 1 1 5 5 LEU N N 5 121.143 121.143 121.378 -0.235 19041 221 1 2 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.032 0.034 19041 222 1 2 . 1 1 5 5 LEU C C 5 177.205 177.205 178.540 -1.335 19041 223 1 2 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.958 -0.568 19041 224 1 2 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.797 -0.404 19041 225 1 2 . 1 1 5 5 LEU H H 5 8.143 8.143 7.325 0.818 19041 226 1 2 . 1 1 6 6 GLU N N 6 116.843 116.843 119.709 -2.866 19041 227 1 2 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.940 -0.124 19041 228 1 2 . 1 1 6 6 GLU C C 6 177.020 177.020 179.445 -2.425 19041 229 1 2 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.492 0.241 19041 230 1 2 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.091 -1.212 19041 231 1 2 . 1 1 6 6 GLU H H 6 8.425 8.425 8.104 0.321 19041 232 1 2 . 1 1 7 7 ILE N N 7 117.010 117.010 120.047 -3.037 19041 233 1 2 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.730 0.026 19041 234 1 2 . 1 1 7 7 ILE C C 7 176.466 176.466 177.962 -1.496 19041 235 1 2 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.284 -1.171 19041 236 1 2 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.875 -0.885 19041 237 1 2 . 1 1 7 7 ILE H H 7 7.718 7.718 7.963 -0.245 19041 238 1 2 . 1 1 8 8 ILE N N 8 119.491 119.491 120.223 -0.732 19041 239 1 2 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.519 0.110 19041 240 1 2 . 1 1 8 8 ILE C C 8 177.097 177.097 177.990 -0.893 19041 241 1 2 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.862 -0.899 19041 242 1 2 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.758 -0.751 19041 243 1 2 . 1 1 8 8 ILE H H 8 7.796 7.796 7.537 0.259 19041 244 1 2 . 1 1 9 9 ILE N N 9 118.434 118.434 119.569 -1.135 19041 245 1 2 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.554 0.163 19041 246 1 2 . 1 1 9 9 ILE C C 9 178.010 178.010 178.005 0.005 19041 247 1 2 . 1 1 9 9 ILE CA C 9 64.576 64.576 65.704 -1.128 19041 248 1 2 . 1 1 9 9 ILE CB C 9 36.919 36.919 37.514 -0.595 19041 249 1 2 . 1 1 9 9 ILE H H 9 8.242 8.242 8.395 -0.153 19041 250 1 2 . 1 1 10 10 LEU N N 10 122.496 122.496 120.727 1.769 19041 251 1 2 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.026 0.056 19041 252 1 2 . 1 1 10 10 LEU C C 10 177.455 177.455 179.920 -2.465 19041 253 1 2 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.303 0.126 19041 254 1 2 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.743 0.772 19041 255 1 2 . 1 1 10 10 LEU H H 10 8.199 8.199 7.779 0.419 19041 256 1 2 . 1 1 11 11 VAL N N 11 117.697 117.697 118.615 -0.918 19041 257 1 2 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.624 -0.066 19041 258 1 2 . 1 1 11 11 VAL C C 11 177.140 177.140 178.256 -1.116 19041 259 1 2 . 1 1 11 11 VAL CA C 11 66.286 66.286 67.004 -0.718 19041 260 1 2 . 1 1 11 11 VAL CB C 11 30.916 30.916 31.024 -0.108 19041 261 1 2 . 1 1 11 11 VAL H H 11 8.620 8.620 8.033 0.587 19041 262 1 2 . 1 1 12 12 GLY N N 12 106.308 106.308 105.942 0.366 19041 263 1 2 . 1 1 12 12 GLY C C 12 178.053 178.053 175.873 2.180 19041 264 1 2 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.725 -0.750 19041 265 1 2 . 1 1 12 12 GLY H H 12 8.822 8.822 8.201 0.621 19041 266 1 2 . 1 1 13 13 THR N N 13 114.187 114.187 117.030 -2.843 19041 267 1 2 . 1 1 13 13 THR HA H 13 3.838 3.838 4.034 -0.196 19041 268 1 2 . 1 1 13 13 THR C C 13 175.194 175.194 176.524 -1.330 19041 269 1 2 . 1 1 13 13 THR CA C 13 66.851 66.851 65.540 1.311 19041 270 1 2 . 1 1 13 13 THR CB C 13 68.420 68.420 68.031 0.389 19041 271 1 2 . 1 1 13 13 THR H H 13 8.290 8.290 8.289 0.001 19041 272 1 2 . 1 1 14 14 ALA N N 14 124.415 124.415 124.186 0.229 19041 273 1 2 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.092 -0.366 19041 274 1 2 . 1 1 14 14 ALA C C 14 178.216 178.216 179.541 -1.325 19041 275 1 2 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.028 -0.065 19041 276 1 2 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.116 -0.936 19041 277 1 2 . 1 1 14 14 ALA H H 14 7.831 7.831 8.330 -0.499 19041 278 1 2 . 1 1 15 15 VAL N N 15 116.690 116.690 119.647 -2.957 19041 279 1 2 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.687 -0.162 19041 280 1 2 . 1 1 15 15 VAL CA C 15 66.460 66.460 66.797 -0.338 19041 281 1 2 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.464 -0.744 19041 282 1 2 . 1 1 15 15 VAL H H 15 8.128 8.128 7.723 0.405 19041 283 1 2 . 1 1 16 16 ILE N N 16 118.922 118.922 119.523 -0.601 19041 284 1 2 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.551 0.095 19041 285 1 2 . 1 1 16 16 ILE C C 16 176.857 176.857 178.052 -1.195 19041 286 1 2 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.575 1.204 19041 287 1 2 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.292 0.420 19041 288 1 2 . 1 1 16 16 ILE H H 16 7.948 7.948 7.716 0.232 19041 289 1 2 . 1 1 17 17 ALA N N 17 121.524 121.524 122.556 -1.032 19041 290 1 2 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.244 -0.306 19041 291 1 2 . 1 1 17 17 ALA C C 17 178.412 178.412 179.811 -1.399 19041 292 1 2 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.281 -0.164 19041 293 1 2 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.201 -0.523 19041 294 1 2 . 1 1 17 17 ALA H H 17 8.407 8.407 7.974 0.433 19041 295 1 2 . 1 1 18 18 MET N N 18 116.280 116.280 118.968 -2.688 19041 296 1 2 . 1 1 18 18 MET HA H 18 4.197 4.197 4.214 -0.017 19041 297 1 2 . 1 1 18 18 MET C C 18 177.347 177.347 178.259 -0.912 19041 298 1 2 . 1 1 18 18 MET CA C 18 58.791 58.791 58.343 0.448 19041 299 1 2 . 1 1 18 18 MET CB C 18 32.163 32.163 32.543 -0.380 19041 300 1 2 . 1 1 18 18 MET H H 18 8.322 8.322 7.788 0.534 19041 301 1 2 . 1 1 19 19 PHE N N 19 118.720 118.720 119.589 -0.869 19041 302 1 2 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.061 0.140 19041 303 1 2 . 1 1 19 19 PHE C C 19 176.162 176.162 177.550 -1.388 19041 304 1 2 . 1 1 19 19 PHE CA C 19 60.912 60.912 62.335 -1.423 19041 305 1 2 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.668 -0.429 19041 306 1 2 . 1 1 19 19 PHE H H 19 8.402 8.402 8.194 0.208 19041 307 1 2 . 1 1 20 20 PHE N N 20 118.374 118.374 118.388 -0.014 19041 308 1 2 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.161 -0.142 19041 309 1 2 . 1 1 20 20 PHE CA C 20 61.436 61.436 62.202 -0.766 19041 310 1 2 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.517 -0.176 19041 311 1 2 . 1 1 20 20 PHE H H 20 8.542 8.542 8.111 0.431 19041 312 1 2 . 1 1 21 21 TRP N N 21 119.404 119.404 120.399 -0.995 19041 313 1 2 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.219 0.082 19041 314 1 2 . 1 1 21 21 TRP H H 21 8.530 8.530 8.230 0.300 19041 315 1 2 . 1 1 22 22 LEU N N 22 118.425 118.425 119.540 -1.115 19041 316 1 2 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.805 0.005 19041 317 1 2 . 1 1 22 22 LEU C C 22 177.770 177.770 178.748 -0.978 19041 318 1 2 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.071 -0.525 19041 319 1 2 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.967 -0.876 19041 320 1 2 . 1 1 22 22 LEU H H 22 8.275 8.275 7.965 0.310 19041 321 1 2 . 1 1 23 23 LEU N N 23 118.342 118.342 120.056 -1.714 19041 322 1 2 . 1 1 23 23 LEU HA H 23 3.803 3.803 3.864 -0.061 19041 323 1 2 . 1 1 23 23 LEU C C 23 177.738 177.738 178.702 -0.964 19041 324 1 2 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.138 -0.421 19041 325 1 2 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.932 -1.122 19041 326 1 2 . 1 1 23 23 LEU H H 23 8.158 8.158 8.458 -0.300 19041 327 1 2 . 1 1 24 24 LEU N N 24 118.660 118.660 119.760 -1.100 19041 328 1 2 . 1 1 24 24 LEU HA H 24 3.785 3.785 3.935 -0.150 19041 329 1 2 . 1 1 24 24 LEU C C 24 178.031 178.031 178.752 -0.721 19041 330 1 2 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.394 -0.543 19041 331 1 2 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.562 -0.860 19041 332 1 2 . 1 1 24 24 LEU H H 24 8.060 8.060 8.274 -0.214 19041 333 1 2 . 1 1 25 25 VAL N N 25 118.249 118.249 119.300 -1.051 19041 334 1 2 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.351 0.103 19041 335 1 2 . 1 1 25 25 VAL C C 25 177.314 177.314 178.096 -0.782 19041 336 1 2 . 1 1 25 25 VAL CA C 25 66.805 66.805 66.914 -0.109 19041 337 1 2 . 1 1 25 25 VAL CB C 25 30.758 30.758 31.530 -0.772 19041 338 1 2 . 1 1 25 25 VAL H H 25 8.145 8.145 7.435 0.710 19041 339 1 2 . 1 1 26 26 ILE N N 26 119.609 119.609 119.589 0.020 19041 340 1 2 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.547 0.042 19041 341 1 2 . 1 1 26 26 ILE C C 26 179.140 179.140 177.961 1.179 19041 342 1 2 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.427 -0.422 19041 343 1 2 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.619 -0.744 19041 344 1 2 . 1 1 26 26 ILE H H 26 8.305 8.305 7.604 0.701 19041 345 1 2 . 1 1 27 27 ILE N N 27 123.241 123.241 120.008 3.233 19041 346 1 2 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.610 -0.042 19041 347 1 2 . 1 1 27 27 ILE C C 27 177.292 177.292 178.046 -0.754 19041 348 1 2 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.699 -0.148 19041 349 1 2 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.821 -0.880 19041 350 1 2 . 1 1 27 27 ILE H H 27 8.780 8.780 7.783 0.997 19041 351 1 2 . 1 1 28 28 LEU N N 28 120.378 120.378 118.768 1.610 19041 352 1 2 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.943 0.040 19041 353 1 2 . 1 1 28 28 LEU C C 28 178.412 178.412 179.237 -0.825 19041 354 1 2 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.653 0.263 19041 355 1 2 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.063 -0.201 19041 356 1 2 . 1 1 28 28 LEU H H 28 8.748 8.748 8.056 0.692 19041 357 1 2 . 1 1 29 29 ARG N N 29 117.043 117.043 119.512 -2.469 19041 358 1 2 . 1 1 29 29 ARG HA H 29 3.990 3.990 3.962 0.028 19041 359 1 2 . 1 1 29 29 ARG C C 29 177.684 177.684 178.686 -1.002 19041 360 1 2 . 1 1 29 29 ARG CA C 29 58.370 58.370 60.482 -2.112 19041 361 1 2 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.185 -0.651 19041 362 1 2 . 1 1 29 29 ARG H H 29 8.479 8.479 8.027 0.452 19041 363 1 2 . 1 1 30 30 THR N N 30 115.547 115.547 116.318 -0.771 19041 364 1 2 . 1 1 30 30 THR HA H 30 4.016 4.016 4.041 -0.025 19041 365 1 2 . 1 1 30 30 THR C C 30 175.727 175.727 176.786 -1.059 19041 366 1 2 . 1 1 30 30 THR CA C 30 65.740 65.740 66.580 -0.840 19041 367 1 2 . 1 1 30 30 THR CB C 30 68.362 68.362 68.754 -0.392 19041 368 1 2 . 1 1 30 30 THR H H 30 7.973 7.973 7.847 0.126 19041 369 1 2 . 1 1 31 31 VAL N N 31 120.909 120.909 120.850 0.059 19041 370 1 2 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.674 0.131 19041 371 1 2 . 1 1 31 31 VAL C C 31 176.694 176.694 176.991 -0.297 19041 372 1 2 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.142 -1.268 19041 373 1 2 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.715 -0.580 19041 374 1 2 . 1 1 31 31 VAL H H 31 8.344 8.344 7.770 0.574 19041 375 1 2 . 1 1 32 32 LYS N N 32 120.269 120.269 119.452 0.817 19041 376 1 2 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.043 0.139 19041 377 1 2 . 1 1 32 32 LYS C C 32 177.183 177.183 178.954 -1.771 19041 378 1 2 . 1 1 32 32 LYS CA C 32 57.422 57.422 58.855 -1.433 19041 379 1 2 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.215 -0.362 19041 380 1 2 . 1 1 32 32 LYS H H 32 8.082 8.082 7.813 0.269 19041 381 1 2 . 1 1 33 33 ARG N N 33 119.458 119.458 118.867 0.591 19041 382 1 2 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.349 -0.131 19041 383 1 2 . 1 1 33 33 ARG C C 33 176.879 176.879 178.306 -1.427 19041 384 1 2 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.460 -1.672 19041 385 1 2 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.974 -0.042 19041 386 1 2 . 1 1 33 33 ARG H H 33 7.885 7.885 7.746 0.139 19041 387 1 2 . 1 1 34 34 ALA N N 34 123.244 123.244 121.598 1.646 19041 388 1 2 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.122 0.157 19041 389 1 2 . 1 1 34 34 ALA C C 34 177.162 177.162 179.693 -2.531 19041 390 1 2 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.714 -2.012 19041 391 1 2 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.148 0.111 19041 392 1 2 . 1 1 34 34 ALA H H 34 8.106 8.106 7.680 0.426 19041 393 1 2 . 1 1 35 35 ASN N N 35 116.546 116.546 116.548 -0.002 19041 394 1 2 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.502 0.223 19041 395 1 2 . 1 1 35 35 ASN C C 35 174.912 174.912 175.825 -0.913 19041 396 1 2 . 1 1 35 35 ASN CA C 35 52.843 52.843 54.593 -1.750 19041 397 1 2 . 1 1 35 35 ASN CB C 35 38.810 38.810 39.111 -0.301 19041 398 1 2 . 1 1 35 35 ASN H H 35 8.057 8.057 7.749 0.308 19041 399 1 2 . 1 1 36 36 GLY N N 36 108.684 108.684 106.417 2.267 19041 400 1 2 . 1 1 36 36 GLY C C 36 173.118 173.118 174.027 -0.909 19041 401 1 2 . 1 1 36 36 GLY CA C 36 45.077 45.077 44.670 0.407 19041 402 1 2 . 1 1 36 36 GLY H H 36 8.075 8.075 7.330 0.745 19041 403 1 3 . 1 1 2 2 LYS N N 2 121.643 121.643 120.470 1.173 19041 404 1 3 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.111 0.469 19041 405 1 3 . 1 1 2 2 LYS C C 2 176.249 176.249 177.746 -1.497 19041 406 1 3 . 1 1 2 2 LYS CA C 2 57.181 57.181 58.880 -1.699 19041 407 1 3 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.146 -0.025 19041 408 1 3 . 1 1 2 2 LYS H H 2 8.371 8.371 8.256 0.115 19041 409 1 3 . 1 1 3 3 THR N N 3 113.909 113.909 113.592 0.317 19041 410 1 3 . 1 1 3 3 THR HA H 3 4.165 4.165 3.987 0.178 19041 411 1 3 . 1 1 3 3 THR C C 3 174.259 174.259 176.589 -2.330 19041 412 1 3 . 1 1 3 3 THR CA C 3 63.240 63.240 65.340 -2.100 19041 413 1 3 . 1 1 3 3 THR CB C 3 68.478 68.478 68.284 0.194 19041 414 1 3 . 1 1 3 3 THR H H 3 8.062 8.062 8.214 -0.152 19041 415 1 3 . 1 1 4 4 ASN N N 4 120.010 120.010 119.553 0.457 19041 416 1 3 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.451 0.162 19041 417 1 3 . 1 1 4 4 ASN C C 4 175.727 175.727 177.805 -2.078 19041 418 1 3 . 1 1 4 4 ASN CA C 4 54.172 54.172 56.400 -2.228 19041 419 1 3 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.994 -0.364 19041 420 1 3 . 1 1 4 4 ASN H H 4 8.094 8.094 8.581 -0.487 19041 421 1 3 . 1 1 5 5 LEU N N 5 121.143 121.143 120.702 0.441 19041 422 1 3 . 1 1 5 5 LEU HA H 5 4.066 4.066 3.993 0.073 19041 423 1 3 . 1 1 5 5 LEU C C 5 177.205 177.205 178.456 -1.251 19041 424 1 3 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.896 -0.506 19041 425 1 3 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.728 -0.335 19041 426 1 3 . 1 1 5 5 LEU H H 5 8.143 8.143 7.313 0.830 19041 427 1 3 . 1 1 6 6 GLU N N 6 116.843 116.843 119.716 -2.873 19041 428 1 3 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.943 -0.127 19041 429 1 3 . 1 1 6 6 GLU C C 6 177.020 177.020 179.449 -2.429 19041 430 1 3 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.499 0.234 19041 431 1 3 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.105 -1.226 19041 432 1 3 . 1 1 6 6 GLU H H 6 8.425 8.425 8.171 0.254 19041 433 1 3 . 1 1 7 7 ILE N N 7 117.010 117.010 120.054 -3.044 19041 434 1 3 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.731 0.025 19041 435 1 3 . 1 1 7 7 ILE C C 7 176.466 176.466 177.958 -1.492 19041 436 1 3 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.281 -1.168 19041 437 1 3 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.878 -0.888 19041 438 1 3 . 1 1 7 7 ILE H H 7 7.718 7.718 7.959 -0.241 19041 439 1 3 . 1 1 8 8 ILE N N 8 119.491 119.491 120.222 -0.731 19041 440 1 3 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.521 0.108 19041 441 1 3 . 1 1 8 8 ILE C C 8 177.097 177.097 178.002 -0.905 19041 442 1 3 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.877 -0.915 19041 443 1 3 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.760 -0.753 19041 444 1 3 . 1 1 8 8 ILE H H 8 7.796 7.796 7.540 0.256 19041 445 1 3 . 1 1 9 9 ILE N N 9 118.434 118.434 119.517 -1.083 19041 446 1 3 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.561 0.156 19041 447 1 3 . 1 1 9 9 ILE C C 9 178.010 178.010 178.023 -0.013 19041 448 1 3 . 1 1 9 9 ILE CA C 9 64.576 64.576 65.684 -1.108 19041 449 1 3 . 1 1 9 9 ILE CB C 9 36.919 36.919 37.514 -0.596 19041 450 1 3 . 1 1 9 9 ILE H H 9 8.242 8.242 8.372 -0.130 19041 451 1 3 . 1 1 10 10 LEU N N 10 122.496 122.496 120.750 1.746 19041 452 1 3 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.031 0.051 19041 453 1 3 . 1 1 10 10 LEU C C 10 177.455 177.455 179.925 -2.470 19041 454 1 3 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.311 0.118 19041 455 1 3 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.750 0.765 19041 456 1 3 . 1 1 10 10 LEU H H 10 8.199 8.199 7.774 0.425 19041 457 1 3 . 1 1 11 11 VAL N N 11 117.697 117.697 118.647 -0.950 19041 458 1 3 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.637 -0.079 19041 459 1 3 . 1 1 11 11 VAL C C 11 177.140 177.140 178.277 -1.137 19041 460 1 3 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.957 -0.671 19041 461 1 3 . 1 1 11 11 VAL CB C 11 30.916 30.916 31.013 -0.097 19041 462 1 3 . 1 1 11 11 VAL H H 11 8.620 8.620 8.054 0.566 19041 463 1 3 . 1 1 12 12 GLY N N 12 106.308 106.308 105.958 0.350 19041 464 1 3 . 1 1 12 12 GLY C C 12 178.053 178.053 175.895 2.158 19041 465 1 3 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.742 -0.767 19041 466 1 3 . 1 1 12 12 GLY H H 12 8.822 8.822 8.223 0.599 19041 467 1 3 . 1 1 13 13 THR N N 13 114.187 114.187 117.011 -2.824 19041 468 1 3 . 1 1 13 13 THR HA H 13 3.838 3.838 4.056 -0.218 19041 469 1 3 . 1 1 13 13 THR C C 13 175.194 175.194 176.530 -1.336 19041 470 1 3 . 1 1 13 13 THR CA C 13 66.851 66.851 65.505 1.345 19041 471 1 3 . 1 1 13 13 THR CB C 13 68.420 68.420 68.050 0.370 19041 472 1 3 . 1 1 13 13 THR H H 13 8.290 8.290 8.292 -0.002 19041 473 1 3 . 1 1 14 14 ALA N N 14 124.415 124.415 124.387 0.028 19041 474 1 3 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.107 -0.381 19041 475 1 3 . 1 1 14 14 ALA C C 14 178.216 178.216 179.533 -1.317 19041 476 1 3 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.064 -0.101 19041 477 1 3 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.091 -0.911 19041 478 1 3 . 1 1 14 14 ALA H H 14 7.831 7.831 8.364 -0.533 19041 479 1 3 . 1 1 15 15 VAL N N 15 116.690 116.690 119.466 -2.776 19041 480 1 3 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.599 -0.074 19041 481 1 3 . 1 1 15 15 VAL CA C 15 66.460 66.460 66.552 -0.092 19041 482 1 3 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.659 -0.939 19041 483 1 3 . 1 1 15 15 VAL H H 15 8.128 8.128 7.717 0.411 19041 484 1 3 . 1 1 16 16 ILE N N 16 118.922 118.922 119.422 -0.500 19041 485 1 3 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.643 0.003 19041 486 1 3 . 1 1 16 16 ILE C C 16 176.857 176.857 178.025 -1.168 19041 487 1 3 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.460 1.319 19041 488 1 3 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.327 0.385 19041 489 1 3 . 1 1 16 16 ILE H H 16 7.948 7.948 7.776 0.172 19041 490 1 3 . 1 1 17 17 ALA N N 17 121.524 121.524 122.982 -1.458 19041 491 1 3 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.263 -0.325 19041 492 1 3 . 1 1 17 17 ALA C C 17 178.412 178.412 179.989 -1.577 19041 493 1 3 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.392 -0.275 19041 494 1 3 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.269 -0.591 19041 495 1 3 . 1 1 17 17 ALA H H 17 8.407 8.407 8.055 0.352 19041 496 1 3 . 1 1 18 18 MET N N 18 116.280 116.280 118.679 -2.399 19041 497 1 3 . 1 1 18 18 MET HA H 18 4.197 4.197 4.240 -0.043 19041 498 1 3 . 1 1 18 18 MET C C 18 177.347 177.347 178.325 -0.978 19041 499 1 3 . 1 1 18 18 MET CA C 18 58.791 58.791 58.063 0.728 19041 500 1 3 . 1 1 18 18 MET CB C 18 32.163 32.163 31.963 0.200 19041 501 1 3 . 1 1 18 18 MET H H 18 8.322 8.322 7.816 0.506 19041 502 1 3 . 1 1 19 19 PHE N N 19 118.720 118.720 120.822 -2.102 19041 503 1 3 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.117 0.084 19041 504 1 3 . 1 1 19 19 PHE C C 19 176.162 176.162 177.532 -1.370 19041 505 1 3 . 1 1 19 19 PHE CA C 19 60.912 60.912 62.326 -1.414 19041 506 1 3 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.581 -0.342 19041 507 1 3 . 1 1 19 19 PHE H H 19 8.402 8.402 8.116 0.286 19041 508 1 3 . 1 1 20 20 PHE N N 20 118.374 118.374 118.222 0.152 19041 509 1 3 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.226 -0.207 19041 510 1 3 . 1 1 20 20 PHE CA C 20 61.436 61.436 62.046 -0.610 19041 511 1 3 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.514 -0.173 19041 512 1 3 . 1 1 20 20 PHE H H 20 8.542 8.542 8.075 0.467 19041 513 1 3 . 1 1 21 21 TRP N N 21 119.404 119.404 120.573 -1.169 19041 514 1 3 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.305 -0.004 19041 515 1 3 . 1 1 21 21 TRP H H 21 8.530 8.530 8.243 0.287 19041 516 1 3 . 1 1 22 22 LEU N N 22 118.425 118.425 120.583 -2.158 19041 517 1 3 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.982 -0.172 19041 518 1 3 . 1 1 22 22 LEU C C 22 177.770 177.770 179.041 -1.271 19041 519 1 3 . 1 1 22 22 LEU CA C 22 57.546 57.546 57.720 -0.174 19041 520 1 3 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.204 -0.113 19041 521 1 3 . 1 1 22 22 LEU H H 22 8.275 8.275 7.959 0.316 19041 522 1 3 . 1 1 23 23 LEU N N 23 118.342 118.342 120.107 -1.765 19041 523 1 3 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.026 -0.223 19041 524 1 3 . 1 1 23 23 LEU C C 23 177.738 177.738 178.820 -1.082 19041 525 1 3 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.300 -0.583 19041 526 1 3 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.932 -1.122 19041 527 1 3 . 1 1 23 23 LEU H H 23 8.158 8.158 8.601 -0.443 19041 528 1 3 . 1 1 24 24 LEU N N 24 118.660 118.660 119.801 -1.141 19041 529 1 3 . 1 1 24 24 LEU HA H 24 3.785 3.785 4.003 -0.218 19041 530 1 3 . 1 1 24 24 LEU C C 24 178.031 178.031 178.449 -0.418 19041 531 1 3 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.085 -0.234 19041 532 1 3 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.803 -1.101 19041 533 1 3 . 1 1 24 24 LEU H H 24 8.060 8.060 8.190 -0.130 19041 534 1 3 . 1 1 25 25 VAL N N 25 118.249 118.249 119.493 -1.244 19041 535 1 3 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.365 0.089 19041 536 1 3 . 1 1 25 25 VAL C C 25 177.314 177.314 177.995 -0.681 19041 537 1 3 . 1 1 25 25 VAL CA C 25 66.805 66.805 66.952 -0.147 19041 538 1 3 . 1 1 25 25 VAL CB C 25 30.758 30.758 31.542 -0.784 19041 539 1 3 . 1 1 25 25 VAL H H 25 8.145 8.145 7.446 0.699 19041 540 1 3 . 1 1 26 26 ILE N N 26 119.609 119.609 119.855 -0.246 19041 541 1 3 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.553 0.036 19041 542 1 3 . 1 1 26 26 ILE C C 26 179.140 179.140 177.991 1.149 19041 543 1 3 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.507 -0.502 19041 544 1 3 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.660 -0.785 19041 545 1 3 . 1 1 26 26 ILE H H 26 8.305 8.305 7.638 0.667 19041 546 1 3 . 1 1 27 27 ILE N N 27 123.241 123.241 119.740 3.501 19041 547 1 3 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.621 -0.053 19041 548 1 3 . 1 1 27 27 ILE C C 27 177.292 177.292 178.053 -0.761 19041 549 1 3 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.676 -0.125 19041 550 1 3 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.772 -0.831 19041 551 1 3 . 1 1 27 27 ILE H H 27 8.780 8.780 7.732 1.048 19041 552 1 3 . 1 1 28 28 LEU N N 28 120.378 120.378 119.121 1.257 19041 553 1 3 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.917 0.066 19041 554 1 3 . 1 1 28 28 LEU C C 28 178.412 178.412 179.158 -0.746 19041 555 1 3 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.922 -0.006 19041 556 1 3 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.110 -0.248 19041 557 1 3 . 1 1 28 28 LEU H H 28 8.748 8.748 7.926 0.822 19041 558 1 3 . 1 1 29 29 ARG N N 29 117.043 117.043 119.581 -2.538 19041 559 1 3 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.027 -0.037 19041 560 1 3 . 1 1 29 29 ARG C C 29 177.684 177.684 178.942 -1.258 19041 561 1 3 . 1 1 29 29 ARG CA C 29 58.370 58.370 59.789 -1.419 19041 562 1 3 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.009 -0.475 19041 563 1 3 . 1 1 29 29 ARG H H 29 8.479 8.479 8.169 0.309 19041 564 1 3 . 1 1 30 30 THR N N 30 115.547 115.547 115.404 0.143 19041 565 1 3 . 1 1 30 30 THR HA H 30 4.016 4.016 4.096 -0.080 19041 566 1 3 . 1 1 30 30 THR C C 30 175.727 175.727 176.825 -1.098 19041 567 1 3 . 1 1 30 30 THR CA C 30 65.740 65.740 66.546 -0.806 19041 568 1 3 . 1 1 30 30 THR CB C 30 68.362 68.362 68.643 -0.281 19041 569 1 3 . 1 1 30 30 THR H H 30 7.973 7.973 7.810 0.163 19041 570 1 3 . 1 1 31 31 VAL N N 31 120.909 120.909 120.996 -0.087 19041 571 1 3 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.722 0.083 19041 572 1 3 . 1 1 31 31 VAL C C 31 176.694 176.694 177.496 -0.802 19041 573 1 3 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.556 -1.682 19041 574 1 3 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.467 -0.332 19041 575 1 3 . 1 1 31 31 VAL H H 31 8.344 8.344 7.794 0.550 19041 576 1 3 . 1 1 32 32 LYS N N 32 120.269 120.269 119.432 0.837 19041 577 1 3 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.065 0.117 19041 578 1 3 . 1 1 32 32 LYS C C 32 177.183 177.183 179.050 -1.867 19041 579 1 3 . 1 1 32 32 LYS CA C 32 57.422 57.422 58.779 -1.357 19041 580 1 3 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.175 -0.322 19041 581 1 3 . 1 1 32 32 LYS H H 32 8.082 8.082 7.995 0.087 19041 582 1 3 . 1 1 33 33 ARG N N 33 119.458 119.458 118.606 0.852 19041 583 1 3 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.157 0.061 19041 584 1 3 . 1 1 33 33 ARG C C 33 176.879 176.879 178.409 -1.530 19041 585 1 3 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.445 -1.657 19041 586 1 3 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.967 -0.035 19041 587 1 3 . 1 1 33 33 ARG H H 33 7.885 7.885 7.754 0.131 19041 588 1 3 . 1 1 34 34 ALA N N 34 123.244 123.244 121.495 1.749 19041 589 1 3 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.177 0.102 19041 590 1 3 . 1 1 34 34 ALA C C 34 177.162 177.162 179.228 -2.066 19041 591 1 3 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.364 -1.662 19041 592 1 3 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.363 -0.104 19041 593 1 3 . 1 1 34 34 ALA H H 34 8.106 8.106 7.647 0.459 19041 594 1 3 . 1 1 35 35 ASN N N 35 116.546 116.546 117.625 -1.079 19041 595 1 3 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.573 0.152 19041 596 1 3 . 1 1 35 35 ASN C C 35 174.912 174.912 177.659 -2.747 19041 597 1 3 . 1 1 35 35 ASN CA C 35 52.843 52.843 54.771 -1.928 19041 598 1 3 . 1 1 35 35 ASN CB C 35 38.810 38.810 38.789 0.021 19041 599 1 3 . 1 1 35 35 ASN H H 35 8.057 8.057 7.948 0.109 19041 600 1 3 . 1 1 36 36 GLY N N 36 108.684 108.684 107.147 1.537 19041 601 1 3 . 1 1 36 36 GLY C C 36 173.118 173.118 174.377 -1.259 19041 602 1 3 . 1 1 36 36 GLY CA C 36 45.077 45.077 45.288 -0.211 19041 603 1 3 . 1 1 36 36 GLY H H 36 8.075 8.075 7.863 0.212 19041 604 1 4 . 1 1 2 2 LYS N N 2 121.643 121.643 119.740 1.903 19041 605 1 4 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.444 0.136 19041 606 1 4 . 1 1 2 2 LYS C C 2 176.249 176.249 177.700 -1.451 19041 607 1 4 . 1 1 2 2 LYS CA C 2 57.181 57.181 57.199 -0.018 19041 608 1 4 . 1 1 2 2 LYS CB C 2 32.121 32.121 33.070 -0.949 19041 609 1 4 . 1 1 2 2 LYS H H 2 8.371 8.371 7.955 0.416 19041 610 1 4 . 1 1 3 3 THR N N 3 113.909 113.909 116.027 -2.118 19041 611 1 4 . 1 1 3 3 THR HA H 3 4.165 4.165 4.020 0.145 19041 612 1 4 . 1 1 3 3 THR C C 3 174.259 174.259 176.465 -2.206 19041 613 1 4 . 1 1 3 3 THR CA C 3 63.240 63.240 65.577 -2.337 19041 614 1 4 . 1 1 3 3 THR CB C 3 68.478 68.478 68.216 0.262 19041 615 1 4 . 1 1 3 3 THR H H 3 8.062 8.062 8.242 -0.180 19041 616 1 4 . 1 1 4 4 ASN N N 4 120.010 120.010 119.800 0.210 19041 617 1 4 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.478 0.135 19041 618 1 4 . 1 1 4 4 ASN C C 4 175.727 175.727 178.039 -2.312 19041 619 1 4 . 1 1 4 4 ASN CA C 4 54.172 54.172 55.939 -1.767 19041 620 1 4 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.659 -0.029 19041 621 1 4 . 1 1 4 4 ASN H H 4 8.094 8.094 8.739 -0.645 19041 622 1 4 . 1 1 5 5 LEU N N 5 121.143 121.143 121.444 -0.301 19041 623 1 4 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.044 0.022 19041 624 1 4 . 1 1 5 5 LEU C C 5 177.205 177.205 178.554 -1.349 19041 625 1 4 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.890 -0.500 19041 626 1 4 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.832 -0.439 19041 627 1 4 . 1 1 5 5 LEU H H 5 8.143 8.143 7.350 0.793 19041 628 1 4 . 1 1 6 6 GLU N N 6 116.843 116.843 119.767 -2.924 19041 629 1 4 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.948 -0.132 19041 630 1 4 . 1 1 6 6 GLU C C 6 177.020 177.020 179.453 -2.433 19041 631 1 4 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.477 0.256 19041 632 1 4 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.089 -1.210 19041 633 1 4 . 1 1 6 6 GLU H H 6 8.425 8.425 8.210 0.215 19041 634 1 4 . 1 1 7 7 ILE N N 7 117.010 117.010 120.069 -3.059 19041 635 1 4 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.735 0.021 19041 636 1 4 . 1 1 7 7 ILE C C 7 176.466 176.466 177.949 -1.483 19041 637 1 4 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.255 -1.143 19041 638 1 4 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.878 -0.888 19041 639 1 4 . 1 1 7 7 ILE H H 7 7.718 7.718 7.961 -0.243 19041 640 1 4 . 1 1 8 8 ILE N N 8 119.491 119.491 120.315 -0.824 19041 641 1 4 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.555 0.074 19041 642 1 4 . 1 1 8 8 ILE C C 8 177.097 177.097 178.156 -1.059 19041 643 1 4 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.771 -0.808 19041 644 1 4 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.682 -0.675 19041 645 1 4 . 1 1 8 8 ILE H H 8 7.796 7.796 7.568 0.228 19041 646 1 4 . 1 1 9 9 ILE N N 9 118.434 118.434 119.520 -1.086 19041 647 1 4 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.679 0.038 19041 648 1 4 . 1 1 9 9 ILE C C 9 178.010 178.010 178.256 -0.246 19041 649 1 4 . 1 1 9 9 ILE CA C 9 64.576 64.576 64.462 0.114 19041 650 1 4 . 1 1 9 9 ILE CB C 9 36.919 36.919 36.467 0.452 19041 651 1 4 . 1 1 9 9 ILE H H 9 8.242 8.242 8.428 -0.186 19041 652 1 4 . 1 1 10 10 LEU N N 10 122.496 122.496 121.025 1.471 19041 653 1 4 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.011 0.071 19041 654 1 4 . 1 1 10 10 LEU C C 10 177.455 177.455 180.057 -2.602 19041 655 1 4 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.481 -0.052 19041 656 1 4 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.754 0.761 19041 657 1 4 . 1 1 10 10 LEU H H 10 8.199 8.199 7.845 0.354 19041 658 1 4 . 1 1 11 11 VAL N N 11 117.697 117.697 118.626 -0.929 19041 659 1 4 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.637 -0.079 19041 660 1 4 . 1 1 11 11 VAL C C 11 177.140 177.140 178.282 -1.142 19041 661 1 4 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.963 -0.677 19041 662 1 4 . 1 1 11 11 VAL CB C 11 30.916 30.916 31.022 -0.106 19041 663 1 4 . 1 1 11 11 VAL H H 11 8.620 8.620 8.067 0.553 19041 664 1 4 . 1 1 12 12 GLY N N 12 106.308 106.308 105.852 0.456 19041 665 1 4 . 1 1 12 12 GLY C C 12 178.053 178.053 176.125 1.928 19041 666 1 4 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.671 -0.696 19041 667 1 4 . 1 1 12 12 GLY H H 12 8.822 8.822 8.165 0.657 19041 668 1 4 . 1 1 13 13 THR N N 13 114.187 114.187 116.615 -2.428 19041 669 1 4 . 1 1 13 13 THR HA H 13 3.838 3.838 4.030 -0.192 19041 670 1 4 . 1 1 13 13 THR C C 13 175.194 175.194 176.517 -1.323 19041 671 1 4 . 1 1 13 13 THR CA C 13 66.851 66.851 66.210 0.641 19041 672 1 4 . 1 1 13 13 THR CB C 13 68.420 68.420 68.710 -0.290 19041 673 1 4 . 1 1 13 13 THR H H 13 8.290 8.290 8.321 -0.031 19041 674 1 4 . 1 1 14 14 ALA N N 14 124.415 124.415 124.830 -0.415 19041 675 1 4 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.087 -0.361 19041 676 1 4 . 1 1 14 14 ALA C C 14 178.216 178.216 179.574 -1.358 19041 677 1 4 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.100 -0.137 19041 678 1 4 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.185 -1.005 19041 679 1 4 . 1 1 14 14 ALA H H 14 7.831 7.831 8.356 -0.525 19041 680 1 4 . 1 1 15 15 VAL N N 15 116.690 116.690 119.531 -2.841 19041 681 1 4 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.650 -0.125 19041 682 1 4 . 1 1 15 15 VAL CA C 15 66.460 66.460 66.993 -0.533 19041 683 1 4 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.842 -1.122 19041 684 1 4 . 1 1 15 15 VAL H H 15 8.128 8.128 7.692 0.436 19041 685 1 4 . 1 1 16 16 ILE N N 16 118.922 118.922 119.287 -0.365 19041 686 1 4 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.658 -0.012 19041 687 1 4 . 1 1 16 16 ILE C C 16 176.857 176.857 178.001 -1.144 19041 688 1 4 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.429 1.349 19041 689 1 4 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.384 0.328 19041 690 1 4 . 1 1 16 16 ILE H H 16 7.948 7.948 7.737 0.211 19041 691 1 4 . 1 1 17 17 ALA N N 17 121.524 121.524 122.813 -1.289 19041 692 1 4 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.229 -0.291 19041 693 1 4 . 1 1 17 17 ALA C C 17 178.412 178.412 179.972 -1.560 19041 694 1 4 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.317 -0.200 19041 695 1 4 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.213 -0.535 19041 696 1 4 . 1 1 17 17 ALA H H 17 8.407 8.407 7.963 0.444 19041 697 1 4 . 1 1 18 18 MET N N 18 116.280 116.280 118.285 -2.005 19041 698 1 4 . 1 1 18 18 MET HA H 18 4.197 4.197 4.125 0.072 19041 699 1 4 . 1 1 18 18 MET C C 18 177.347 177.347 178.520 -1.173 19041 700 1 4 . 1 1 18 18 MET CA C 18 58.791 58.791 59.287 -0.496 19041 701 1 4 . 1 1 18 18 MET CB C 18 32.163 32.163 32.599 -0.436 19041 702 1 4 . 1 1 18 18 MET H H 18 8.322 8.322 7.840 0.482 19041 703 1 4 . 1 1 19 19 PHE N N 19 118.720 118.720 120.399 -1.679 19041 704 1 4 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.136 0.065 19041 705 1 4 . 1 1 19 19 PHE C C 19 176.162 176.162 177.445 -1.283 19041 706 1 4 . 1 1 19 19 PHE CA C 19 60.912 60.912 61.462 -0.550 19041 707 1 4 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.666 -0.427 19041 708 1 4 . 1 1 19 19 PHE H H 19 8.402 8.402 8.075 0.327 19041 709 1 4 . 1 1 20 20 PHE N N 20 118.374 118.374 118.313 0.061 19041 710 1 4 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.206 -0.187 19041 711 1 4 . 1 1 20 20 PHE CA C 20 61.436 61.436 62.069 -0.633 19041 712 1 4 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.517 -0.176 19041 713 1 4 . 1 1 20 20 PHE H H 20 8.542 8.542 8.064 0.478 19041 714 1 4 . 1 1 21 21 TRP N N 21 119.404 119.404 120.698 -1.294 19041 715 1 4 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.283 0.018 19041 716 1 4 . 1 1 21 21 TRP H H 21 8.530 8.530 8.249 0.281 19041 717 1 4 . 1 1 22 22 LEU N N 22 118.425 118.425 118.869 -0.444 19041 718 1 4 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.846 -0.036 19041 719 1 4 . 1 1 22 22 LEU C C 22 177.770 177.770 178.947 -1.177 19041 720 1 4 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.112 -0.566 19041 721 1 4 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.907 -0.816 19041 722 1 4 . 1 1 22 22 LEU H H 22 8.275 8.275 7.980 0.295 19041 723 1 4 . 1 1 23 23 LEU N N 23 118.342 118.342 120.063 -1.721 19041 724 1 4 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.051 -0.248 19041 725 1 4 . 1 1 23 23 LEU C C 23 177.738 177.738 178.698 -0.960 19041 726 1 4 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.189 -0.472 19041 727 1 4 . 1 1 23 23 LEU CB C 23 40.810 40.810 42.084 -1.274 19041 728 1 4 . 1 1 23 23 LEU H H 23 8.158 8.158 8.713 -0.555 19041 729 1 4 . 1 1 24 24 LEU N N 24 118.660 118.660 119.674 -1.014 19041 730 1 4 . 1 1 24 24 LEU HA H 24 3.785 3.785 4.007 -0.222 19041 731 1 4 . 1 1 24 24 LEU C C 24 178.031 178.031 178.470 -0.439 19041 732 1 4 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.168 -0.317 19041 733 1 4 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.723 -1.020 19041 734 1 4 . 1 1 24 24 LEU H H 24 8.060 8.060 8.219 -0.159 19041 735 1 4 . 1 1 25 25 VAL N N 25 118.249 118.249 119.634 -1.385 19041 736 1 4 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.460 -0.006 19041 737 1 4 . 1 1 25 25 VAL C C 25 177.314 177.314 178.005 -0.691 19041 738 1 4 . 1 1 25 25 VAL CA C 25 66.805 66.805 67.181 -0.376 19041 739 1 4 . 1 1 25 25 VAL CB C 25 30.758 30.758 31.420 -0.662 19041 740 1 4 . 1 1 25 25 VAL H H 25 8.145 8.145 7.496 0.649 19041 741 1 4 . 1 1 26 26 ILE N N 26 119.609 119.609 119.719 -0.110 19041 742 1 4 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.536 0.053 19041 743 1 4 . 1 1 26 26 ILE C C 26 179.140 179.140 178.019 1.121 19041 744 1 4 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.529 -0.524 19041 745 1 4 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.620 -0.745 19041 746 1 4 . 1 1 26 26 ILE H H 26 8.305 8.305 7.661 0.644 19041 747 1 4 . 1 1 27 27 ILE N N 27 123.241 123.241 119.731 3.510 19041 748 1 4 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.617 -0.049 19041 749 1 4 . 1 1 27 27 ILE C C 27 177.292 177.292 178.052 -0.760 19041 750 1 4 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.662 -0.111 19041 751 1 4 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.761 -0.820 19041 752 1 4 . 1 1 27 27 ILE H H 27 8.780 8.780 7.747 1.033 19041 753 1 4 . 1 1 28 28 LEU N N 28 120.378 120.378 119.104 1.274 19041 754 1 4 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.920 0.063 19041 755 1 4 . 1 1 28 28 LEU C C 28 178.412 178.412 179.147 -0.735 19041 756 1 4 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.920 -0.005 19041 757 1 4 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.126 -0.264 19041 758 1 4 . 1 1 28 28 LEU H H 28 8.748 8.748 7.946 0.802 19041 759 1 4 . 1 1 29 29 ARG N N 29 117.043 117.043 119.516 -2.473 19041 760 1 4 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.031 -0.041 19041 761 1 4 . 1 1 29 29 ARG C C 29 177.684 177.684 178.912 -1.228 19041 762 1 4 . 1 1 29 29 ARG CA C 29 58.370 58.370 59.879 -1.509 19041 763 1 4 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.039 -0.505 19041 764 1 4 . 1 1 29 29 ARG H H 29 8.479 8.479 8.098 0.381 19041 765 1 4 . 1 1 30 30 THR N N 30 115.547 115.547 115.600 -0.053 19041 766 1 4 . 1 1 30 30 THR HA H 30 4.016 4.016 4.094 -0.078 19041 767 1 4 . 1 1 30 30 THR C C 30 175.727 175.727 176.572 -0.845 19041 768 1 4 . 1 1 30 30 THR CA C 30 65.740 65.740 66.838 -1.098 19041 769 1 4 . 1 1 30 30 THR CB C 30 68.362 68.362 68.527 -0.165 19041 770 1 4 . 1 1 30 30 THR H H 30 7.973 7.973 7.876 0.097 19041 771 1 4 . 1 1 31 31 VAL N N 31 120.909 120.909 120.281 0.628 19041 772 1 4 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.669 0.136 19041 773 1 4 . 1 1 31 31 VAL C C 31 176.694 176.694 177.094 -0.400 19041 774 1 4 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.344 -1.470 19041 775 1 4 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.605 -0.470 19041 776 1 4 . 1 1 31 31 VAL H H 31 8.344 8.344 7.775 0.569 19041 777 1 4 . 1 1 32 32 LYS N N 32 120.269 120.269 118.754 1.515 19041 778 1 4 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.118 0.064 19041 779 1 4 . 1 1 32 32 LYS C C 32 177.183 177.183 178.945 -1.762 19041 780 1 4 . 1 1 32 32 LYS CA C 32 57.422 57.422 58.892 -1.470 19041 781 1 4 . 1 1 32 32 LYS CB C 32 31.853 31.853 31.857 -0.004 19041 782 1 4 . 1 1 32 32 LYS H H 32 8.082 8.082 7.809 0.273 19041 783 1 4 . 1 1 33 33 ARG N N 33 119.458 119.458 119.560 -0.102 19041 784 1 4 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.221 -0.003 19041 785 1 4 . 1 1 33 33 ARG C C 33 176.879 176.879 178.274 -1.395 19041 786 1 4 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.196 -1.408 19041 787 1 4 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.926 0.006 19041 788 1 4 . 1 1 33 33 ARG H H 33 7.885 7.885 7.843 0.042 19041 789 1 4 . 1 1 34 34 ALA N N 34 123.244 123.244 121.497 1.747 19041 790 1 4 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.160 0.119 19041 791 1 4 . 1 1 34 34 ALA C C 34 177.162 177.162 179.469 -2.307 19041 792 1 4 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.618 -1.916 19041 793 1 4 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.172 0.087 19041 794 1 4 . 1 1 34 34 ALA H H 34 8.106 8.106 7.723 0.383 19041 795 1 4 . 1 1 35 35 ASN N N 35 116.546 116.546 116.995 -0.449 19041 796 1 4 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.530 0.195 19041 797 1 4 . 1 1 35 35 ASN C C 35 174.912 174.912 175.798 -0.886 19041 798 1 4 . 1 1 35 35 ASN CA C 35 52.843 52.843 54.711 -1.867 19041 799 1 4 . 1 1 35 35 ASN CB C 35 38.810 38.810 39.183 -0.373 19041 800 1 4 . 1 1 35 35 ASN H H 35 8.057 8.057 7.825 0.232 19041 801 1 4 . 1 1 36 36 GLY N N 36 108.684 108.684 106.096 2.588 19041 802 1 4 . 1 1 36 36 GLY C C 36 173.118 173.118 174.016 -0.898 19041 803 1 4 . 1 1 36 36 GLY CA C 36 45.077 45.077 44.671 0.406 19041 804 1 4 . 1 1 36 36 GLY H H 36 8.075 8.075 7.414 0.661 19041 805 1 5 . 1 1 2 2 LYS N N 2 121.643 121.643 121.624 0.019 19041 806 1 5 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.400 0.180 19041 807 1 5 . 1 1 2 2 LYS C C 2 176.249 176.249 177.228 -0.979 19041 808 1 5 . 1 1 2 2 LYS CA C 2 57.181 57.181 56.830 0.351 19041 809 1 5 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.831 -0.710 19041 810 1 5 . 1 1 2 2 LYS H H 2 8.371 8.371 8.402 -0.031 19041 811 1 5 . 1 1 3 3 THR N N 3 113.909 113.909 116.155 -2.246 19041 812 1 5 . 1 1 3 3 THR HA H 3 4.165 4.165 4.053 0.112 19041 813 1 5 . 1 1 3 3 THR C C 3 174.259 174.259 176.463 -2.204 19041 814 1 5 . 1 1 3 3 THR CA C 3 63.240 63.240 65.129 -1.889 19041 815 1 5 . 1 1 3 3 THR CB C 3 68.478 68.478 68.109 0.369 19041 816 1 5 . 1 1 3 3 THR H H 3 8.062 8.062 8.348 -0.286 19041 817 1 5 . 1 1 4 4 ASN N N 4 120.010 120.010 119.802 0.208 19041 818 1 5 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.477 0.136 19041 819 1 5 . 1 1 4 4 ASN C C 4 175.727 175.727 177.980 -2.253 19041 820 1 5 . 1 1 4 4 ASN CA C 4 54.172 54.172 55.880 -1.708 19041 821 1 5 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.539 0.091 19041 822 1 5 . 1 1 4 4 ASN H H 4 8.094 8.094 8.748 -0.654 19041 823 1 5 . 1 1 5 5 LEU N N 5 121.143 121.143 121.236 -0.093 19041 824 1 5 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.031 0.035 19041 825 1 5 . 1 1 5 5 LEU C C 5 177.205 177.205 178.475 -1.270 19041 826 1 5 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.920 -0.530 19041 827 1 5 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.787 -0.394 19041 828 1 5 . 1 1 5 5 LEU H H 5 8.143 8.143 7.400 0.743 19041 829 1 5 . 1 1 6 6 GLU N N 6 116.843 116.843 119.707 -2.864 19041 830 1 5 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.943 -0.127 19041 831 1 5 . 1 1 6 6 GLU C C 6 177.020 177.020 179.448 -2.428 19041 832 1 5 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.492 0.241 19041 833 1 5 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.097 -1.218 19041 834 1 5 . 1 1 6 6 GLU H H 6 8.425 8.425 8.118 0.307 19041 835 1 5 . 1 1 7 7 ILE N N 7 117.010 117.010 120.052 -3.042 19041 836 1 5 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.732 0.024 19041 837 1 5 . 1 1 7 7 ILE C C 7 176.466 176.466 177.953 -1.487 19041 838 1 5 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.282 -1.169 19041 839 1 5 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.879 -0.889 19041 840 1 5 . 1 1 7 7 ILE H H 7 7.718 7.718 7.961 -0.243 19041 841 1 5 . 1 1 8 8 ILE N N 8 119.491 119.491 120.222 -0.731 19041 842 1 5 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.522 0.107 19041 843 1 5 . 1 1 8 8 ILE C C 8 177.097 177.097 178.006 -0.909 19041 844 1 5 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.874 -0.911 19041 845 1 5 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.760 -0.753 19041 846 1 5 . 1 1 8 8 ILE H H 8 7.796 7.796 7.542 0.254 19041 847 1 5 . 1 1 9 9 ILE N N 9 118.434 118.434 119.522 -1.088 19041 848 1 5 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.564 0.153 19041 849 1 5 . 1 1 9 9 ILE C C 9 178.010 178.010 178.021 -0.011 19041 850 1 5 . 1 1 9 9 ILE CA C 9 64.576 64.576 65.691 -1.115 19041 851 1 5 . 1 1 9 9 ILE CB C 9 36.919 36.919 37.518 -0.599 19041 852 1 5 . 1 1 9 9 ILE H H 9 8.242 8.242 8.378 -0.136 19041 853 1 5 . 1 1 10 10 LEU N N 10 122.496 122.496 120.868 1.628 19041 854 1 5 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.017 0.065 19041 855 1 5 . 1 1 10 10 LEU C C 10 177.455 177.455 179.856 -2.401 19041 856 1 5 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.267 0.162 19041 857 1 5 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.738 0.777 19041 858 1 5 . 1 1 10 10 LEU H H 10 8.199 8.199 7.793 0.406 19041 859 1 5 . 1 1 11 11 VAL N N 11 117.697 117.697 118.247 -0.550 19041 860 1 5 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.636 -0.078 19041 861 1 5 . 1 1 11 11 VAL C C 11 177.140 177.140 178.358 -1.218 19041 862 1 5 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.959 -0.673 19041 863 1 5 . 1 1 11 11 VAL CB C 11 30.916 30.916 30.799 0.117 19041 864 1 5 . 1 1 11 11 VAL H H 11 8.620 8.620 8.097 0.523 19041 865 1 5 . 1 1 12 12 GLY N N 12 106.308 106.308 106.402 -0.094 19041 866 1 5 . 1 1 12 12 GLY C C 12 178.053 178.053 175.923 2.130 19041 867 1 5 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.526 -0.551 19041 868 1 5 . 1 1 12 12 GLY H H 12 8.822 8.822 8.185 0.637 19041 869 1 5 . 1 1 13 13 THR N N 13 114.187 114.187 116.569 -2.382 19041 870 1 5 . 1 1 13 13 THR HA H 13 3.838 3.838 4.030 -0.192 19041 871 1 5 . 1 1 13 13 THR C C 13 175.194 175.194 176.617 -1.423 19041 872 1 5 . 1 1 13 13 THR CA C 13 66.851 66.851 66.078 0.773 19041 873 1 5 . 1 1 13 13 THR CB C 13 68.420 68.420 68.816 -0.396 19041 874 1 5 . 1 1 13 13 THR H H 13 8.290 8.290 8.291 -0.001 19041 875 1 5 . 1 1 14 14 ALA N N 14 124.415 124.415 124.506 -0.091 19041 876 1 5 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.089 -0.363 19041 877 1 5 . 1 1 14 14 ALA C C 14 178.216 178.216 179.544 -1.328 19041 878 1 5 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.038 -0.075 19041 879 1 5 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.226 -1.046 19041 880 1 5 . 1 1 14 14 ALA H H 14 7.831 7.831 8.348 -0.517 19041 881 1 5 . 1 1 15 15 VAL N N 15 116.690 116.690 119.632 -2.942 19041 882 1 5 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.668 -0.143 19041 883 1 5 . 1 1 15 15 VAL CA C 15 66.460 66.460 66.743 -0.283 19041 884 1 5 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.483 -0.763 19041 885 1 5 . 1 1 15 15 VAL H H 15 8.128 8.128 7.747 0.381 19041 886 1 5 . 1 1 16 16 ILE N N 16 118.922 118.922 119.522 -0.600 19041 887 1 5 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.652 -0.006 19041 888 1 5 . 1 1 16 16 ILE C C 16 176.857 176.857 178.028 -1.171 19041 889 1 5 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.538 1.241 19041 890 1 5 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.306 0.407 19041 891 1 5 . 1 1 16 16 ILE H H 16 7.948 7.948 7.751 0.197 19041 892 1 5 . 1 1 17 17 ALA N N 17 121.524 121.524 122.649 -1.125 19041 893 1 5 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.246 -0.308 19041 894 1 5 . 1 1 17 17 ALA C C 17 178.412 178.412 179.722 -1.310 19041 895 1 5 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.276 -0.159 19041 896 1 5 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.194 -0.516 19041 897 1 5 . 1 1 17 17 ALA H H 17 8.407 8.407 8.033 0.374 19041 898 1 5 . 1 1 18 18 MET N N 18 116.280 116.280 118.711 -2.431 19041 899 1 5 . 1 1 18 18 MET HA H 18 4.197 4.197 4.149 0.048 19041 900 1 5 . 1 1 18 18 MET C C 18 177.347 177.347 178.186 -0.839 19041 901 1 5 . 1 1 18 18 MET CA C 18 58.791 58.791 58.992 -0.201 19041 902 1 5 . 1 1 18 18 MET CB C 18 32.163 32.163 32.682 -0.519 19041 903 1 5 . 1 1 18 18 MET H H 18 8.322 8.322 7.812 0.510 19041 904 1 5 . 1 1 19 19 PHE N N 19 118.720 118.720 119.939 -1.219 19041 905 1 5 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.130 0.071 19041 906 1 5 . 1 1 19 19 PHE C C 19 176.162 176.162 177.466 -1.304 19041 907 1 5 . 1 1 19 19 PHE CA C 19 60.912 60.912 61.581 -0.669 19041 908 1 5 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.626 -0.387 19041 909 1 5 . 1 1 19 19 PHE H H 19 8.402 8.402 7.959 0.443 19041 910 1 5 . 1 1 20 20 PHE N N 20 118.374 118.374 118.360 0.014 19041 911 1 5 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.198 -0.179 19041 912 1 5 . 1 1 20 20 PHE CA C 20 61.436 61.436 62.057 -0.621 19041 913 1 5 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.498 -0.158 19041 914 1 5 . 1 1 20 20 PHE H H 20 8.542 8.542 8.071 0.471 19041 915 1 5 . 1 1 21 21 TRP N N 21 119.404 119.404 120.646 -1.242 19041 916 1 5 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.281 0.020 19041 917 1 5 . 1 1 21 21 TRP H H 21 8.530 8.530 8.243 0.287 19041 918 1 5 . 1 1 22 22 LEU N N 22 118.425 118.425 118.912 -0.487 19041 919 1 5 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.833 -0.023 19041 920 1 5 . 1 1 22 22 LEU C C 22 177.770 177.770 178.960 -1.190 19041 921 1 5 . 1 1 22 22 LEU CA C 22 57.546 57.546 57.998 -0.452 19041 922 1 5 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.946 -0.855 19041 923 1 5 . 1 1 22 22 LEU H H 22 8.275 8.275 7.953 0.322 19041 924 1 5 . 1 1 23 23 LEU N N 23 118.342 118.342 120.155 -1.813 19041 925 1 5 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.038 -0.235 19041 926 1 5 . 1 1 23 23 LEU C C 23 177.738 177.738 178.733 -0.995 19041 927 1 5 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.217 -0.500 19041 928 1 5 . 1 1 23 23 LEU CB C 23 40.810 40.810 42.074 -1.264 19041 929 1 5 . 1 1 23 23 LEU H H 23 8.158 8.158 8.711 -0.553 19041 930 1 5 . 1 1 24 24 LEU N N 24 118.660 118.660 119.617 -0.957 19041 931 1 5 . 1 1 24 24 LEU HA H 24 3.785 3.785 3.997 -0.212 19041 932 1 5 . 1 1 24 24 LEU C C 24 178.031 178.031 178.500 -0.469 19041 933 1 5 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.116 -0.265 19041 934 1 5 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.671 -0.968 19041 935 1 5 . 1 1 24 24 LEU H H 24 8.060 8.060 8.250 -0.190 19041 936 1 5 . 1 1 25 25 VAL N N 25 118.249 118.249 119.627 -1.378 19041 937 1 5 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.455 -0.001 19041 938 1 5 . 1 1 25 25 VAL C C 25 177.314 177.314 177.989 -0.675 19041 939 1 5 . 1 1 25 25 VAL CA C 25 66.805 66.805 67.236 -0.431 19041 940 1 5 . 1 1 25 25 VAL CB C 25 30.758 30.758 31.435 -0.677 19041 941 1 5 . 1 1 25 25 VAL H H 25 8.145 8.145 7.493 0.652 19041 942 1 5 . 1 1 26 26 ILE N N 26 119.609 119.609 119.662 -0.053 19041 943 1 5 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.533 0.056 19041 944 1 5 . 1 1 26 26 ILE C C 26 179.140 179.140 178.000 1.140 19041 945 1 5 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.475 -0.470 19041 946 1 5 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.563 -0.688 19041 947 1 5 . 1 1 26 26 ILE H H 26 8.305 8.305 7.660 0.645 19041 948 1 5 . 1 1 27 27 ILE N N 27 123.241 123.241 119.834 3.407 19041 949 1 5 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.619 -0.051 19041 950 1 5 . 1 1 27 27 ILE C C 27 177.292 177.292 178.050 -0.758 19041 951 1 5 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.739 -0.188 19041 952 1 5 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.805 -0.864 19041 953 1 5 . 1 1 27 27 ILE H H 27 8.780 8.780 7.771 1.009 19041 954 1 5 . 1 1 28 28 LEU N N 28 120.378 120.378 118.915 1.463 19041 955 1 5 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.936 0.047 19041 956 1 5 . 1 1 28 28 LEU C C 28 178.412 178.412 179.206 -0.794 19041 957 1 5 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.722 0.194 19041 958 1 5 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.099 -0.237 19041 959 1 5 . 1 1 28 28 LEU H H 28 8.748 8.748 7.853 0.895 19041 960 1 5 . 1 1 29 29 ARG N N 29 117.043 117.043 119.918 -2.875 19041 961 1 5 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.027 -0.037 19041 962 1 5 . 1 1 29 29 ARG C C 29 177.684 177.684 178.897 -1.213 19041 963 1 5 . 1 1 29 29 ARG CA C 29 58.370 58.370 59.849 -1.479 19041 964 1 5 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.024 -0.490 19041 965 1 5 . 1 1 29 29 ARG H H 29 8.479 8.479 8.241 0.238 19041 966 1 5 . 1 1 30 30 THR N N 30 115.547 115.547 115.289 0.258 19041 967 1 5 . 1 1 30 30 THR HA H 30 4.016 4.016 4.092 -0.076 19041 968 1 5 . 1 1 30 30 THR C C 30 175.727 175.727 176.894 -1.167 19041 969 1 5 . 1 1 30 30 THR CA C 30 65.740 65.740 66.533 -0.793 19041 970 1 5 . 1 1 30 30 THR CB C 30 68.362 68.362 68.621 -0.259 19041 971 1 5 . 1 1 30 30 THR H H 30 7.973 7.973 7.854 0.119 19041 972 1 5 . 1 1 31 31 VAL N N 31 120.909 120.909 120.471 0.438 19041 973 1 5 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.766 0.039 19041 974 1 5 . 1 1 31 31 VAL C C 31 176.694 176.694 177.793 -1.099 19041 975 1 5 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.026 -1.152 19041 976 1 5 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.282 -0.147 19041 977 1 5 . 1 1 31 31 VAL H H 31 8.344 8.344 7.805 0.539 19041 978 1 5 . 1 1 32 32 LYS N N 32 120.269 120.269 119.399 0.870 19041 979 1 5 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.080 0.102 19041 980 1 5 . 1 1 32 32 LYS C C 32 177.183 177.183 179.247 -2.064 19041 981 1 5 . 1 1 32 32 LYS CA C 32 57.422 57.422 59.082 -1.660 19041 982 1 5 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.117 -0.264 19041 983 1 5 . 1 1 32 32 LYS H H 32 8.082 8.082 8.013 0.069 19041 984 1 5 . 1 1 33 33 ARG N N 33 119.458 119.458 118.718 0.740 19041 985 1 5 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.106 0.112 19041 986 1 5 . 1 1 33 33 ARG C C 33 176.879 176.879 177.780 -0.901 19041 987 1 5 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.014 -1.226 19041 988 1 5 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.985 -0.053 19041 989 1 5 . 1 1 33 33 ARG H H 33 7.885 7.885 7.766 0.119 19041 990 1 5 . 1 1 34 34 ALA N N 34 123.244 123.244 120.771 2.473 19041 991 1 5 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.118 0.161 19041 992 1 5 . 1 1 34 34 ALA C C 34 177.162 177.162 179.267 -2.105 19041 993 1 5 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.668 -1.966 19041 994 1 5 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.087 0.172 19041 995 1 5 . 1 1 34 34 ALA H H 34 8.106 8.106 7.603 0.503 19041 996 1 5 . 1 1 35 35 ASN N N 35 116.546 116.546 116.673 -0.127 19041 997 1 5 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.556 0.169 19041 998 1 5 . 1 1 35 35 ASN C C 35 174.912 174.912 176.773 -1.861 19041 999 1 5 . 1 1 35 35 ASN CA C 35 52.843 52.843 55.153 -2.310 19041 1000 1 5 . 1 1 35 35 ASN CB C 35 38.810 38.810 38.820 -0.010 19041 1001 1 5 . 1 1 35 35 ASN H H 35 8.057 8.057 7.909 0.148 19041 1002 1 5 . 1 1 36 36 GLY N N 36 108.684 108.684 107.047 1.637 19041 1003 1 5 . 1 1 36 36 GLY C C 36 173.118 173.118 174.037 -0.919 19041 1004 1 5 . 1 1 36 36 GLY CA C 36 45.077 45.077 45.075 0.002 19041 1005 1 5 . 1 1 36 36 GLY H H 36 8.075 8.075 7.627 0.448 19041 1006 1 6 . 1 1 2 2 LYS N N 2 121.643 121.643 119.388 2.255 19041 1007 1 6 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.520 0.060 19041 1008 1 6 . 1 1 2 2 LYS C C 2 176.249 176.249 177.815 -1.566 19041 1009 1 6 . 1 1 2 2 LYS CA C 2 57.181 57.181 57.113 0.068 19041 1010 1 6 . 1 1 2 2 LYS CB C 2 32.121 32.121 33.389 -1.268 19041 1011 1 6 . 1 1 2 2 LYS H H 2 8.371 8.371 7.841 0.530 19041 1012 1 6 . 1 1 3 3 THR N N 3 113.909 113.909 115.256 -1.347 19041 1013 1 6 . 1 1 3 3 THR HA H 3 4.165 4.165 4.038 0.127 19041 1014 1 6 . 1 1 3 3 THR C C 3 174.259 174.259 176.356 -2.097 19041 1015 1 6 . 1 1 3 3 THR CA C 3 63.240 63.240 65.642 -2.402 19041 1016 1 6 . 1 1 3 3 THR CB C 3 68.478 68.478 68.477 0.001 19041 1017 1 6 . 1 1 3 3 THR H H 3 8.062 8.062 8.127 -0.065 19041 1018 1 6 . 1 1 4 4 ASN N N 4 120.010 120.010 119.129 0.881 19041 1019 1 6 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.488 0.125 19041 1020 1 6 . 1 1 4 4 ASN C C 4 175.727 175.727 177.754 -2.027 19041 1021 1 6 . 1 1 4 4 ASN CA C 4 54.172 54.172 56.061 -1.889 19041 1022 1 6 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.861 -0.231 19041 1023 1 6 . 1 1 4 4 ASN H H 4 8.094 8.094 8.666 -0.572 19041 1024 1 6 . 1 1 5 5 LEU N N 5 121.143 121.143 120.891 0.252 19041 1025 1 6 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.018 0.048 19041 1026 1 6 . 1 1 5 5 LEU C C 5 177.205 177.205 178.445 -1.240 19041 1027 1 6 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.924 -0.534 19041 1028 1 6 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.764 -0.371 19041 1029 1 6 . 1 1 5 5 LEU H H 5 8.143 8.143 7.356 0.787 19041 1030 1 6 . 1 1 6 6 GLU N N 6 116.843 116.843 119.719 -2.876 19041 1031 1 6 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.944 -0.128 19041 1032 1 6 . 1 1 6 6 GLU C C 6 177.020 177.020 179.453 -2.433 19041 1033 1 6 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.494 0.239 19041 1034 1 6 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.100 -1.221 19041 1035 1 6 . 1 1 6 6 GLU H H 6 8.425 8.425 8.170 0.255 19041 1036 1 6 . 1 1 7 7 ILE N N 7 117.010 117.010 120.048 -3.038 19041 1037 1 6 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.733 0.023 19041 1038 1 6 . 1 1 7 7 ILE C C 7 176.466 176.466 177.958 -1.492 19041 1039 1 6 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.285 -1.172 19041 1040 1 6 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.883 -0.892 19041 1041 1 6 . 1 1 7 7 ILE H H 7 7.718 7.718 7.963 -0.245 19041 1042 1 6 . 1 1 8 8 ILE N N 8 119.491 119.491 120.243 -0.752 19041 1043 1 6 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.524 0.105 19041 1044 1 6 . 1 1 8 8 ILE C C 8 177.097 177.097 178.004 -0.907 19041 1045 1 6 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.875 -0.912 19041 1046 1 6 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.769 -0.762 19041 1047 1 6 . 1 1 8 8 ILE H H 8 7.796 7.796 7.542 0.254 19041 1048 1 6 . 1 1 9 9 ILE N N 9 118.434 118.434 119.543 -1.109 19041 1049 1 6 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.566 0.151 19041 1050 1 6 . 1 1 9 9 ILE C C 9 178.010 178.010 178.017 -0.007 19041 1051 1 6 . 1 1 9 9 ILE CA C 9 64.576 64.576 65.700 -1.124 19041 1052 1 6 . 1 1 9 9 ILE CB C 9 36.919 36.919 37.520 -0.601 19041 1053 1 6 . 1 1 9 9 ILE H H 9 8.242 8.242 8.388 -0.146 19041 1054 1 6 . 1 1 10 10 LEU N N 10 122.496 122.496 120.776 1.720 19041 1055 1 6 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.033 0.049 19041 1056 1 6 . 1 1 10 10 LEU C C 10 177.455 177.455 179.922 -2.467 19041 1057 1 6 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.311 0.118 19041 1058 1 6 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.753 0.762 19041 1059 1 6 . 1 1 10 10 LEU H H 10 8.199 8.199 7.780 0.419 19041 1060 1 6 . 1 1 11 11 VAL N N 11 117.697 117.697 118.638 -0.941 19041 1061 1 6 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.634 -0.076 19041 1062 1 6 . 1 1 11 11 VAL C C 11 177.140 177.140 178.287 -1.147 19041 1063 1 6 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.951 -0.665 19041 1064 1 6 . 1 1 11 11 VAL CB C 11 30.916 30.916 31.013 -0.097 19041 1065 1 6 . 1 1 11 11 VAL H H 11 8.620 8.620 8.049 0.571 19041 1066 1 6 . 1 1 12 12 GLY N N 12 106.308 106.308 105.857 0.451 19041 1067 1 6 . 1 1 12 12 GLY C C 12 178.053 178.053 176.128 1.925 19041 1068 1 6 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.669 -0.694 19041 1069 1 6 . 1 1 12 12 GLY H H 12 8.822 8.822 8.169 0.653 19041 1070 1 6 . 1 1 13 13 THR N N 13 114.187 114.187 116.662 -2.475 19041 1071 1 6 . 1 1 13 13 THR HA H 13 3.838 3.838 4.026 -0.188 19041 1072 1 6 . 1 1 13 13 THR C C 13 175.194 175.194 176.508 -1.314 19041 1073 1 6 . 1 1 13 13 THR CA C 13 66.851 66.851 66.235 0.616 19041 1074 1 6 . 1 1 13 13 THR CB C 13 68.420 68.420 68.699 -0.279 19041 1075 1 6 . 1 1 13 13 THR H H 13 8.290 8.290 8.316 -0.026 19041 1076 1 6 . 1 1 14 14 ALA N N 14 124.415 124.415 124.762 -0.347 19041 1077 1 6 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.079 -0.352 19041 1078 1 6 . 1 1 14 14 ALA C C 14 178.216 178.216 179.649 -1.433 19041 1079 1 6 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.139 -0.176 19041 1080 1 6 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.184 -1.004 19041 1081 1 6 . 1 1 14 14 ALA H H 14 7.831 7.831 8.390 -0.559 19041 1082 1 6 . 1 1 15 15 VAL N N 15 116.690 116.690 119.347 -2.657 19041 1083 1 6 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.670 -0.145 19041 1084 1 6 . 1 1 15 15 VAL CA C 15 66.460 66.460 67.027 -0.567 19041 1085 1 6 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.574 -0.854 19041 1086 1 6 . 1 1 15 15 VAL H H 15 8.128 8.128 7.694 0.434 19041 1087 1 6 . 1 1 16 16 ILE N N 16 118.922 118.922 119.588 -0.666 19041 1088 1 6 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.654 -0.008 19041 1089 1 6 . 1 1 16 16 ILE C C 16 176.857 176.857 178.016 -1.159 19041 1090 1 6 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.560 1.219 19041 1091 1 6 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.341 0.371 19041 1092 1 6 . 1 1 16 16 ILE H H 16 7.948 7.948 7.748 0.200 19041 1093 1 6 . 1 1 17 17 ALA N N 17 121.524 121.524 122.626 -1.102 19041 1094 1 6 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.246 -0.308 19041 1095 1 6 . 1 1 17 17 ALA C C 17 178.412 178.412 179.782 -1.370 19041 1096 1 6 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.297 -0.180 19041 1097 1 6 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.203 -0.525 19041 1098 1 6 . 1 1 17 17 ALA H H 17 8.407 8.407 8.056 0.351 19041 1099 1 6 . 1 1 18 18 MET N N 18 116.280 116.280 118.665 -2.385 19041 1100 1 6 . 1 1 18 18 MET HA H 18 4.197 4.197 4.157 0.040 19041 1101 1 6 . 1 1 18 18 MET C C 18 177.347 177.347 178.171 -0.824 19041 1102 1 6 . 1 1 18 18 MET CA C 18 58.791 58.791 58.984 -0.193 19041 1103 1 6 . 1 1 18 18 MET CB C 18 32.163 32.163 32.660 -0.497 19041 1104 1 6 . 1 1 18 18 MET H H 18 8.322 8.322 7.786 0.536 19041 1105 1 6 . 1 1 19 19 PHE N N 19 118.720 118.720 120.065 -1.345 19041 1106 1 6 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.140 0.061 19041 1107 1 6 . 1 1 19 19 PHE C C 19 176.162 176.162 177.534 -1.372 19041 1108 1 6 . 1 1 19 19 PHE CA C 19 60.912 60.912 61.470 -0.558 19041 1109 1 6 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.557 -0.318 19041 1110 1 6 . 1 1 19 19 PHE H H 19 8.402 8.402 8.045 0.357 19041 1111 1 6 . 1 1 20 20 PHE N N 20 118.374 118.374 118.324 0.050 19041 1112 1 6 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.193 -0.174 19041 1113 1 6 . 1 1 20 20 PHE CA C 20 61.436 61.436 62.052 -0.616 19041 1114 1 6 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.487 -0.146 19041 1115 1 6 . 1 1 20 20 PHE H H 20 8.542 8.542 8.087 0.455 19041 1116 1 6 . 1 1 21 21 TRP N N 21 119.404 119.404 120.661 -1.257 19041 1117 1 6 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.279 0.022 19041 1118 1 6 . 1 1 21 21 TRP H H 21 8.530 8.530 8.238 0.292 19041 1119 1 6 . 1 1 22 22 LEU N N 22 118.425 118.425 118.923 -0.498 19041 1120 1 6 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.834 -0.024 19041 1121 1 6 . 1 1 22 22 LEU C C 22 177.770 177.770 178.954 -1.184 19041 1122 1 6 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.076 -0.530 19041 1123 1 6 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.946 -0.855 19041 1124 1 6 . 1 1 22 22 LEU H H 22 8.275 8.275 7.964 0.311 19041 1125 1 6 . 1 1 23 23 LEU N N 23 118.342 118.342 120.118 -1.776 19041 1126 1 6 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.035 -0.232 19041 1127 1 6 . 1 1 23 23 LEU C C 23 177.738 177.738 178.725 -0.987 19041 1128 1 6 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.205 -0.488 19041 1129 1 6 . 1 1 23 23 LEU CB C 23 40.810 40.810 42.063 -1.253 19041 1130 1 6 . 1 1 23 23 LEU H H 23 8.158 8.158 8.709 -0.551 19041 1131 1 6 . 1 1 24 24 LEU N N 24 118.660 118.660 119.624 -0.964 19041 1132 1 6 . 1 1 24 24 LEU HA H 24 3.785 3.785 3.990 -0.205 19041 1133 1 6 . 1 1 24 24 LEU C C 24 178.031 178.031 178.500 -0.469 19041 1134 1 6 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.129 -0.278 19041 1135 1 6 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.674 -0.971 19041 1136 1 6 . 1 1 24 24 LEU H H 24 8.060 8.060 8.252 -0.192 19041 1137 1 6 . 1 1 25 25 VAL N N 25 118.249 118.249 119.598 -1.349 19041 1138 1 6 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.453 0.001 19041 1139 1 6 . 1 1 25 25 VAL C C 25 177.314 177.314 177.996 -0.682 19041 1140 1 6 . 1 1 25 25 VAL CA C 25 66.805 66.805 67.233 -0.428 19041 1141 1 6 . 1 1 25 25 VAL CB C 25 30.758 30.758 31.431 -0.673 19041 1142 1 6 . 1 1 25 25 VAL H H 25 8.145 8.145 7.490 0.655 19041 1143 1 6 . 1 1 26 26 ILE N N 26 119.609 119.609 119.651 -0.042 19041 1144 1 6 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.536 0.053 19041 1145 1 6 . 1 1 26 26 ILE C C 26 179.140 179.140 178.004 1.136 19041 1146 1 6 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.462 -0.457 19041 1147 1 6 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.562 -0.687 19041 1148 1 6 . 1 1 26 26 ILE H H 26 8.305 8.305 7.658 0.647 19041 1149 1 6 . 1 1 27 27 ILE N N 27 123.241 123.241 119.877 3.364 19041 1150 1 6 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.617 -0.049 19041 1151 1 6 . 1 1 27 27 ILE C C 27 177.292 177.292 178.039 -0.747 19041 1152 1 6 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.743 -0.192 19041 1153 1 6 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.809 -0.868 19041 1154 1 6 . 1 1 27 27 ILE H H 27 8.780 8.780 7.770 1.010 19041 1155 1 6 . 1 1 28 28 LEU N N 28 120.378 120.378 118.917 1.461 19041 1156 1 6 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.932 0.051 19041 1157 1 6 . 1 1 28 28 LEU C C 28 178.412 178.412 179.208 -0.796 19041 1158 1 6 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.743 0.173 19041 1159 1 6 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.087 -0.225 19041 1160 1 6 . 1 1 28 28 LEU H H 28 8.748 8.748 7.852 0.896 19041 1161 1 6 . 1 1 29 29 ARG N N 29 117.043 117.043 119.878 -2.835 19041 1162 1 6 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.006 -0.016 19041 1163 1 6 . 1 1 29 29 ARG C C 29 177.684 177.684 178.806 -1.122 19041 1164 1 6 . 1 1 29 29 ARG CA C 29 58.370 58.370 60.072 -1.702 19041 1165 1 6 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.015 -0.481 19041 1166 1 6 . 1 1 29 29 ARG H H 29 8.479 8.479 8.257 0.222 19041 1167 1 6 . 1 1 30 30 THR N N 30 115.547 115.547 115.701 -0.154 19041 1168 1 6 . 1 1 30 30 THR HA H 30 4.016 4.016 4.044 -0.028 19041 1169 1 6 . 1 1 30 30 THR C C 30 175.727 175.727 176.787 -1.060 19041 1170 1 6 . 1 1 30 30 THR CA C 30 65.740 65.740 66.512 -0.772 19041 1171 1 6 . 1 1 30 30 THR CB C 30 68.362 68.362 68.754 -0.392 19041 1172 1 6 . 1 1 30 30 THR H H 30 7.973 7.973 7.842 0.131 19041 1173 1 6 . 1 1 31 31 VAL N N 31 120.909 120.909 120.804 0.105 19041 1174 1 6 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.732 0.073 19041 1175 1 6 . 1 1 31 31 VAL C C 31 176.694 176.694 177.126 -0.432 19041 1176 1 6 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.401 -1.527 19041 1177 1 6 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.510 -0.375 19041 1178 1 6 . 1 1 31 31 VAL H H 31 8.344 8.344 7.752 0.592 19041 1179 1 6 . 1 1 32 32 LYS N N 32 120.269 120.269 119.467 0.802 19041 1180 1 6 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.068 0.114 19041 1181 1 6 . 1 1 32 32 LYS C C 32 177.183 177.183 178.998 -1.815 19041 1182 1 6 . 1 1 32 32 LYS CA C 32 57.422 57.422 58.843 -1.421 19041 1183 1 6 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.258 -0.405 19041 1184 1 6 . 1 1 32 32 LYS H H 32 8.082 8.082 7.966 0.116 19041 1185 1 6 . 1 1 33 33 ARG N N 33 119.458 119.458 118.864 0.594 19041 1186 1 6 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.150 0.068 19041 1187 1 6 . 1 1 33 33 ARG C C 33 176.879 176.879 178.190 -1.311 19041 1188 1 6 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.457 -1.669 19041 1189 1 6 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.908 0.024 19041 1190 1 6 . 1 1 33 33 ARG H H 33 7.885 7.885 7.757 0.128 19041 1191 1 6 . 1 1 34 34 ALA N N 34 123.244 123.244 121.488 1.756 19041 1192 1 6 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.092 0.187 19041 1193 1 6 . 1 1 34 34 ALA C C 34 177.162 177.162 179.501 -2.339 19041 1194 1 6 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.900 -2.198 19041 1195 1 6 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.219 0.040 19041 1196 1 6 . 1 1 34 34 ALA H H 34 8.106 8.106 7.653 0.453 19041 1197 1 6 . 1 1 35 35 ASN N N 35 116.546 116.546 115.510 1.036 19041 1198 1 6 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.534 0.191 19041 1199 1 6 . 1 1 35 35 ASN C C 35 174.912 174.912 176.859 -1.947 19041 1200 1 6 . 1 1 35 35 ASN CA C 35 52.843 52.843 55.223 -2.380 19041 1201 1 6 . 1 1 35 35 ASN CB C 35 38.810 38.810 38.533 0.277 19041 1202 1 6 . 1 1 35 35 ASN H H 35 8.057 8.057 7.829 0.228 19041 1203 1 6 . 1 1 36 36 GLY N N 36 108.684 108.684 107.725 0.959 19041 1204 1 6 . 1 1 36 36 GLY C C 36 173.118 173.118 174.071 -0.953 19041 1205 1 6 . 1 1 36 36 GLY CA C 36 45.077 45.077 45.286 -0.209 19041 1206 1 6 . 1 1 36 36 GLY H H 36 8.075 8.075 7.256 0.819 19041 1207 1 7 . 1 1 2 2 LYS N N 2 121.643 121.643 119.994 1.649 19041 1208 1 7 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.200 0.380 19041 1209 1 7 . 1 1 2 2 LYS C C 2 176.249 176.249 177.745 -1.496 19041 1210 1 7 . 1 1 2 2 LYS CA C 2 57.181 57.181 58.520 -1.339 19041 1211 1 7 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.323 -0.202 19041 1212 1 7 . 1 1 2 2 LYS H H 2 8.371 8.371 8.203 0.169 19041 1213 1 7 . 1 1 3 3 THR N N 3 113.909 113.909 113.590 0.319 19041 1214 1 7 . 1 1 3 3 THR HA H 3 4.165 4.165 3.998 0.167 19041 1215 1 7 . 1 1 3 3 THR C C 3 174.259 174.259 176.580 -2.321 19041 1216 1 7 . 1 1 3 3 THR CA C 3 63.240 63.240 65.293 -2.053 19041 1217 1 7 . 1 1 3 3 THR CB C 3 68.478 68.478 68.356 0.122 19041 1218 1 7 . 1 1 3 3 THR H H 3 8.062 8.062 8.206 -0.144 19041 1219 1 7 . 1 1 4 4 ASN N N 4 120.010 120.010 119.614 0.396 19041 1220 1 7 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.477 0.136 19041 1221 1 7 . 1 1 4 4 ASN C C 4 175.727 175.727 177.801 -2.074 19041 1222 1 7 . 1 1 4 4 ASN CA C 4 54.172 54.172 56.464 -2.292 19041 1223 1 7 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.924 -0.294 19041 1224 1 7 . 1 1 4 4 ASN H H 4 8.094 8.094 8.633 -0.539 19041 1225 1 7 . 1 1 5 5 LEU N N 5 121.143 121.143 120.520 0.623 19041 1226 1 7 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.007 0.059 19041 1227 1 7 . 1 1 5 5 LEU C C 5 177.205 177.205 178.480 -1.275 19041 1228 1 7 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.916 -0.526 19041 1229 1 7 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.727 -0.334 19041 1230 1 7 . 1 1 5 5 LEU H H 5 8.143 8.143 7.307 0.836 19041 1231 1 7 . 1 1 6 6 GLU N N 6 116.843 116.843 119.723 -2.880 19041 1232 1 7 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.945 -0.129 19041 1233 1 7 . 1 1 6 6 GLU C C 6 177.020 177.020 179.454 -2.434 19041 1234 1 7 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.492 0.242 19041 1235 1 7 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.099 -1.220 19041 1236 1 7 . 1 1 6 6 GLU H H 6 8.425 8.425 8.158 0.267 19041 1237 1 7 . 1 1 7 7 ILE N N 7 117.010 117.010 120.050 -3.040 19041 1238 1 7 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.734 0.022 19041 1239 1 7 . 1 1 7 7 ILE C C 7 176.466 176.466 177.958 -1.492 19041 1240 1 7 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.279 -1.167 19041 1241 1 7 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.880 -0.890 19041 1242 1 7 . 1 1 7 7 ILE H H 7 7.718 7.718 7.965 -0.247 19041 1243 1 7 . 1 1 8 8 ILE N N 8 119.491 119.491 120.247 -0.756 19041 1244 1 7 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.524 0.105 19041 1245 1 7 . 1 1 8 8 ILE C C 8 177.097 177.097 178.004 -0.907 19041 1246 1 7 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.874 -0.911 19041 1247 1 7 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.770 -0.763 19041 1248 1 7 . 1 1 8 8 ILE H H 8 7.796 7.796 7.542 0.254 19041 1249 1 7 . 1 1 9 9 ILE N N 9 118.434 118.434 119.543 -1.109 19041 1250 1 7 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.566 0.151 19041 1251 1 7 . 1 1 9 9 ILE C C 9 178.010 178.010 178.016 -0.006 19041 1252 1 7 . 1 1 9 9 ILE CA C 9 64.576 64.576 65.698 -1.122 19041 1253 1 7 . 1 1 9 9 ILE CB C 9 36.919 36.919 37.522 -0.603 19041 1254 1 7 . 1 1 9 9 ILE H H 9 8.242 8.242 8.386 -0.144 19041 1255 1 7 . 1 1 10 10 LEU N N 10 122.496 122.496 120.780 1.716 19041 1256 1 7 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.032 0.050 19041 1257 1 7 . 1 1 10 10 LEU C C 10 177.455 177.455 179.923 -2.468 19041 1258 1 7 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.312 0.117 19041 1259 1 7 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.750 0.765 19041 1260 1 7 . 1 1 10 10 LEU H H 10 8.199 8.199 7.777 0.422 19041 1261 1 7 . 1 1 11 11 VAL N N 11 117.697 117.697 118.632 -0.935 19041 1262 1 7 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.635 -0.077 19041 1263 1 7 . 1 1 11 11 VAL C C 11 177.140 177.140 178.289 -1.149 19041 1264 1 7 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.945 -0.659 19041 1265 1 7 . 1 1 11 11 VAL CB C 11 30.916 30.916 31.015 -0.099 19041 1266 1 7 . 1 1 11 11 VAL H H 11 8.620 8.620 8.047 0.573 19041 1267 1 7 . 1 1 12 12 GLY N N 12 106.308 106.308 105.851 0.457 19041 1268 1 7 . 1 1 12 12 GLY C C 12 178.053 178.053 176.129 1.924 19041 1269 1 7 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.669 -0.694 19041 1270 1 7 . 1 1 12 12 GLY H H 12 8.822 8.822 8.168 0.654 19041 1271 1 7 . 1 1 13 13 THR N N 13 114.187 114.187 116.646 -2.459 19041 1272 1 7 . 1 1 13 13 THR HA H 13 3.838 3.838 4.028 -0.190 19041 1273 1 7 . 1 1 13 13 THR C C 13 175.194 175.194 176.509 -1.315 19041 1274 1 7 . 1 1 13 13 THR CA C 13 66.851 66.851 66.230 0.621 19041 1275 1 7 . 1 1 13 13 THR CB C 13 68.420 68.420 68.700 -0.280 19041 1276 1 7 . 1 1 13 13 THR H H 13 8.290 8.290 8.319 -0.029 19041 1277 1 7 . 1 1 14 14 ALA N N 14 124.415 124.415 124.916 -0.501 19041 1278 1 7 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.089 -0.363 19041 1279 1 7 . 1 1 14 14 ALA C C 14 178.216 178.216 179.739 -1.523 19041 1280 1 7 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.230 -0.267 19041 1281 1 7 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.181 -1.001 19041 1282 1 7 . 1 1 14 14 ALA H H 14 7.831 7.831 8.473 -0.642 19041 1283 1 7 . 1 1 15 15 VAL N N 15 116.690 116.690 119.395 -2.705 19041 1284 1 7 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.698 -0.173 19041 1285 1 7 . 1 1 15 15 VAL CA C 15 66.460 66.460 66.343 0.117 19041 1286 1 7 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.076 -0.356 19041 1287 1 7 . 1 1 15 15 VAL H H 15 8.128 8.128 7.763 0.365 19041 1288 1 7 . 1 1 16 16 ILE N N 16 118.922 118.922 120.007 -1.085 19041 1289 1 7 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.690 -0.044 19041 1290 1 7 . 1 1 16 16 ILE C C 16 176.857 176.857 178.071 -1.214 19041 1291 1 7 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.842 0.937 19041 1292 1 7 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.221 0.491 19041 1293 1 7 . 1 1 16 16 ILE H H 16 7.948 7.948 7.850 0.098 19041 1294 1 7 . 1 1 17 17 ALA N N 17 121.524 121.524 122.666 -1.142 19041 1295 1 7 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.250 -0.312 19041 1296 1 7 . 1 1 17 17 ALA C C 17 178.412 178.412 179.788 -1.376 19041 1297 1 7 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.274 -0.157 19041 1298 1 7 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.224 -0.546 19041 1299 1 7 . 1 1 17 17 ALA H H 17 8.407 8.407 8.034 0.373 19041 1300 1 7 . 1 1 18 18 MET N N 18 116.280 116.280 118.803 -2.523 19041 1301 1 7 . 1 1 18 18 MET HA H 18 4.197 4.197 4.211 -0.014 19041 1302 1 7 . 1 1 18 18 MET C C 18 177.347 177.347 178.155 -0.808 19041 1303 1 7 . 1 1 18 18 MET CA C 18 58.791 58.791 58.029 0.762 19041 1304 1 7 . 1 1 18 18 MET CB C 18 32.163 32.163 32.405 -0.242 19041 1305 1 7 . 1 1 18 18 MET H H 18 8.322 8.322 7.818 0.504 19041 1306 1 7 . 1 1 19 19 PHE N N 19 118.720 118.720 120.068 -1.348 19041 1307 1 7 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.121 0.080 19041 1308 1 7 . 1 1 19 19 PHE C C 19 176.162 176.162 177.474 -1.312 19041 1309 1 7 . 1 1 19 19 PHE CA C 19 60.912 60.912 61.433 -0.521 19041 1310 1 7 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.569 -0.330 19041 1311 1 7 . 1 1 19 19 PHE H H 19 8.402 8.402 7.973 0.429 19041 1312 1 7 . 1 1 20 20 PHE N N 20 118.374 118.374 118.323 0.051 19041 1313 1 7 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.193 -0.174 19041 1314 1 7 . 1 1 20 20 PHE CA C 20 61.436 61.436 62.054 -0.618 19041 1315 1 7 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.493 -0.152 19041 1316 1 7 . 1 1 20 20 PHE H H 20 8.542 8.542 8.083 0.459 19041 1317 1 7 . 1 1 21 21 TRP N N 21 119.404 119.404 120.667 -1.263 19041 1318 1 7 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.281 0.020 19041 1319 1 7 . 1 1 21 21 TRP H H 21 8.530 8.530 8.245 0.285 19041 1320 1 7 . 1 1 22 22 LEU N N 22 118.425 118.425 119.044 -0.619 19041 1321 1 7 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.839 -0.029 19041 1322 1 7 . 1 1 22 22 LEU C C 22 177.770 177.770 178.954 -1.184 19041 1323 1 7 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.054 -0.508 19041 1324 1 7 . 1 1 22 22 LEU CB C 22 41.091 41.091 42.001 -0.910 19041 1325 1 7 . 1 1 22 22 LEU H H 22 8.275 8.275 7.961 0.314 19041 1326 1 7 . 1 1 23 23 LEU N N 23 118.342 118.342 120.133 -1.791 19041 1327 1 7 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.035 -0.232 19041 1328 1 7 . 1 1 23 23 LEU C C 23 177.738 177.738 178.715 -0.977 19041 1329 1 7 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.215 -0.498 19041 1330 1 7 . 1 1 23 23 LEU CB C 23 40.810 40.810 42.063 -1.253 19041 1331 1 7 . 1 1 23 23 LEU H H 23 8.158 8.158 8.707 -0.549 19041 1332 1 7 . 1 1 24 24 LEU N N 24 118.660 118.660 119.781 -1.121 19041 1333 1 7 . 1 1 24 24 LEU HA H 24 3.785 3.785 4.016 -0.231 19041 1334 1 7 . 1 1 24 24 LEU C C 24 178.031 178.031 178.538 -0.507 19041 1335 1 7 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.064 -0.213 19041 1336 1 7 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.673 -0.970 19041 1337 1 7 . 1 1 24 24 LEU H H 24 8.060 8.060 8.255 -0.195 19041 1338 1 7 . 1 1 25 25 VAL N N 25 118.249 118.249 119.441 -1.192 19041 1339 1 7 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.474 -0.020 19041 1340 1 7 . 1 1 25 25 VAL C C 25 177.314 177.314 178.315 -1.001 19041 1341 1 7 . 1 1 25 25 VAL CA C 25 66.805 66.805 66.588 0.217 19041 1342 1 7 . 1 1 25 25 VAL CB C 25 30.758 30.758 30.972 -0.214 19041 1343 1 7 . 1 1 25 25 VAL H H 25 8.145 8.145 7.511 0.634 19041 1344 1 7 . 1 1 26 26 ILE N N 26 119.609 119.609 119.771 -0.162 19041 1345 1 7 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.559 0.030 19041 1346 1 7 . 1 1 26 26 ILE C C 26 179.140 179.140 178.129 1.011 19041 1347 1 7 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.588 -0.583 19041 1348 1 7 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.564 -0.689 19041 1349 1 7 . 1 1 26 26 ILE H H 26 8.305 8.305 7.676 0.629 19041 1350 1 7 . 1 1 27 27 ILE N N 27 123.241 123.241 119.852 3.389 19041 1351 1 7 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.618 -0.050 19041 1352 1 7 . 1 1 27 27 ILE C C 27 177.292 177.292 178.045 -0.753 19041 1353 1 7 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.751 -0.201 19041 1354 1 7 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.806 -0.865 19041 1355 1 7 . 1 1 27 27 ILE H H 27 8.780 8.780 7.771 1.009 19041 1356 1 7 . 1 1 28 28 LEU N N 28 120.378 120.378 118.872 1.506 19041 1357 1 7 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.940 0.043 19041 1358 1 7 . 1 1 28 28 LEU C C 28 178.412 178.412 179.227 -0.815 19041 1359 1 7 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.664 0.252 19041 1360 1 7 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.090 -0.228 19041 1361 1 7 . 1 1 28 28 LEU H H 28 8.748 8.748 7.847 0.901 19041 1362 1 7 . 1 1 29 29 ARG N N 29 117.043 117.043 119.945 -2.902 19041 1363 1 7 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.028 -0.038 19041 1364 1 7 . 1 1 29 29 ARG C C 29 177.684 177.684 178.900 -1.216 19041 1365 1 7 . 1 1 29 29 ARG CA C 29 58.370 58.370 59.843 -1.472 19041 1366 1 7 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.030 -0.496 19041 1367 1 7 . 1 1 29 29 ARG H H 29 8.479 8.479 8.241 0.238 19041 1368 1 7 . 1 1 30 30 THR N N 30 115.547 115.547 115.213 0.334 19041 1369 1 7 . 1 1 30 30 THR HA H 30 4.016 4.016 4.105 -0.089 19041 1370 1 7 . 1 1 30 30 THR C C 30 175.727 175.727 176.867 -1.140 19041 1371 1 7 . 1 1 30 30 THR CA C 30 65.740 65.740 66.526 -0.786 19041 1372 1 7 . 1 1 30 30 THR CB C 30 68.362 68.362 68.666 -0.304 19041 1373 1 7 . 1 1 30 30 THR H H 30 7.973 7.973 7.823 0.150 19041 1374 1 7 . 1 1 31 31 VAL N N 31 120.909 120.909 120.709 0.200 19041 1375 1 7 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.735 0.070 19041 1376 1 7 . 1 1 31 31 VAL C C 31 176.694 176.694 177.510 -0.816 19041 1377 1 7 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.287 -1.413 19041 1378 1 7 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.576 -0.441 19041 1379 1 7 . 1 1 31 31 VAL H H 31 8.344 8.344 7.792 0.552 19041 1380 1 7 . 1 1 32 32 LYS N N 32 120.269 120.269 119.801 0.468 19041 1381 1 7 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.112 0.070 19041 1382 1 7 . 1 1 32 32 LYS C C 32 177.183 177.183 178.927 -1.744 19041 1383 1 7 . 1 1 32 32 LYS CA C 32 57.422 57.422 58.185 -0.763 19041 1384 1 7 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.056 -0.202 19041 1385 1 7 . 1 1 32 32 LYS H H 32 8.082 8.082 8.006 0.076 19041 1386 1 7 . 1 1 33 33 ARG N N 33 119.458 119.458 118.867 0.591 19041 1387 1 7 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.166 0.052 19041 1388 1 7 . 1 1 33 33 ARG C C 33 176.879 176.879 178.445 -1.566 19041 1389 1 7 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.602 -1.814 19041 1390 1 7 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.978 -0.046 19041 1391 1 7 . 1 1 33 33 ARG H H 33 7.885 7.885 7.865 0.020 19041 1392 1 7 . 1 1 34 34 ALA N N 34 123.244 123.244 121.505 1.739 19041 1393 1 7 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.251 0.028 19041 1394 1 7 . 1 1 34 34 ALA C C 34 177.162 177.162 179.224 -2.062 19041 1395 1 7 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.241 -1.539 19041 1396 1 7 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.383 -0.124 19041 1397 1 7 . 1 1 34 34 ALA H H 34 8.106 8.106 7.730 0.376 19041 1398 1 7 . 1 1 35 35 ASN N N 35 116.546 116.546 116.921 -0.375 19041 1399 1 7 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.589 0.136 19041 1400 1 7 . 1 1 35 35 ASN C C 35 174.912 174.912 177.180 -2.268 19041 1401 1 7 . 1 1 35 35 ASN CA C 35 52.843 52.843 54.862 -2.019 19041 1402 1 7 . 1 1 35 35 ASN CB C 35 38.810 38.810 39.007 -0.197 19041 1403 1 7 . 1 1 35 35 ASN H H 35 8.057 8.057 8.023 0.034 19041 1404 1 7 . 1 1 36 36 GLY N N 36 108.684 108.684 106.954 1.730 19041 1405 1 7 . 1 1 36 36 GLY C C 36 173.118 173.118 174.407 -1.289 19041 1406 1 7 . 1 1 36 36 GLY CA C 36 45.077 45.077 45.025 0.052 19041 1407 1 7 . 1 1 36 36 GLY H H 36 8.075 8.075 7.796 0.279 19041 1408 1 8 . 1 1 2 2 LYS N N 2 121.643 121.643 119.710 1.933 19041 1409 1 8 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.606 -0.026 19041 1410 1 8 . 1 1 2 2 LYS C C 2 176.249 176.249 177.724 -1.475 19041 1411 1 8 . 1 1 2 2 LYS CA C 2 57.181 57.181 57.178 0.003 19041 1412 1 8 . 1 1 2 2 LYS CB C 2 32.121 32.121 33.378 -1.257 19041 1413 1 8 . 1 1 2 2 LYS H H 2 8.371 8.371 8.067 0.304 19041 1414 1 8 . 1 1 3 3 THR N N 3 113.909 113.909 115.462 -1.553 19041 1415 1 8 . 1 1 3 3 THR HA H 3 4.165 4.165 4.056 0.109 19041 1416 1 8 . 1 1 3 3 THR C C 3 174.259 174.259 176.257 -1.998 19041 1417 1 8 . 1 1 3 3 THR CA C 3 63.240 63.240 65.645 -2.405 19041 1418 1 8 . 1 1 3 3 THR CB C 3 68.478 68.478 68.472 0.006 19041 1419 1 8 . 1 1 3 3 THR H H 3 8.062 8.062 8.156 -0.094 19041 1420 1 8 . 1 1 4 4 ASN N N 4 120.010 120.010 119.423 0.587 19041 1421 1 8 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.485 0.128 19041 1422 1 8 . 1 1 4 4 ASN C C 4 175.727 175.727 177.768 -2.041 19041 1423 1 8 . 1 1 4 4 ASN CA C 4 54.172 54.172 56.120 -1.948 19041 1424 1 8 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.845 -0.215 19041 1425 1 8 . 1 1 4 4 ASN H H 4 8.094 8.094 8.685 -0.591 19041 1426 1 8 . 1 1 5 5 LEU N N 5 121.143 121.143 120.755 0.388 19041 1427 1 8 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.019 0.047 19041 1428 1 8 . 1 1 5 5 LEU C C 5 177.205 177.205 178.487 -1.282 19041 1429 1 8 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.929 -0.539 19041 1430 1 8 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.757 -0.364 19041 1431 1 8 . 1 1 5 5 LEU H H 5 8.143 8.143 7.320 0.823 19041 1432 1 8 . 1 1 6 6 GLU N N 6 116.843 116.843 119.723 -2.880 19041 1433 1 8 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.944 -0.128 19041 1434 1 8 . 1 1 6 6 GLU C C 6 177.020 177.020 179.448 -2.428 19041 1435 1 8 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.490 0.243 19041 1436 1 8 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.096 -1.217 19041 1437 1 8 . 1 1 6 6 GLU H H 6 8.425 8.425 8.165 0.260 19041 1438 1 8 . 1 1 7 7 ILE N N 7 117.010 117.010 120.042 -3.032 19041 1439 1 8 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.732 0.024 19041 1440 1 8 . 1 1 7 7 ILE C C 7 176.466 176.466 177.956 -1.490 19041 1441 1 8 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.274 -1.161 19041 1442 1 8 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.876 -0.885 19041 1443 1 8 . 1 1 7 7 ILE H H 7 7.718 7.718 7.959 -0.241 19041 1444 1 8 . 1 1 8 8 ILE N N 8 119.491 119.491 120.233 -0.742 19041 1445 1 8 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.521 0.108 19041 1446 1 8 . 1 1 8 8 ILE C C 8 177.097 177.097 178.007 -0.910 19041 1447 1 8 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.876 -0.913 19041 1448 1 8 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.763 -0.756 19041 1449 1 8 . 1 1 8 8 ILE H H 8 7.796 7.796 7.540 0.256 19041 1450 1 8 . 1 1 9 9 ILE N N 9 118.434 118.434 119.519 -1.085 19041 1451 1 8 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.561 0.156 19041 1452 1 8 . 1 1 9 9 ILE C C 9 178.010 178.010 178.025 -0.015 19041 1453 1 8 . 1 1 9 9 ILE CA C 9 64.576 64.576 65.678 -1.102 19041 1454 1 8 . 1 1 9 9 ILE CB C 9 36.919 36.919 37.520 -0.601 19041 1455 1 8 . 1 1 9 9 ILE H H 9 8.242 8.242 8.372 -0.130 19041 1456 1 8 . 1 1 10 10 LEU N N 10 122.496 122.496 120.759 1.737 19041 1457 1 8 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.027 0.055 19041 1458 1 8 . 1 1 10 10 LEU C C 10 177.455 177.455 179.924 -2.469 19041 1459 1 8 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.319 0.110 19041 1460 1 8 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.754 0.761 19041 1461 1 8 . 1 1 10 10 LEU H H 10 8.199 8.199 7.777 0.422 19041 1462 1 8 . 1 1 11 11 VAL N N 11 117.697 117.697 118.592 -0.895 19041 1463 1 8 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.634 -0.076 19041 1464 1 8 . 1 1 11 11 VAL C C 11 177.140 177.140 178.270 -1.130 19041 1465 1 8 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.986 -0.700 19041 1466 1 8 . 1 1 11 11 VAL CB C 11 30.916 30.916 31.028 -0.112 19041 1467 1 8 . 1 1 11 11 VAL H H 11 8.620 8.620 8.049 0.571 19041 1468 1 8 . 1 1 12 12 GLY N N 12 106.308 106.308 105.991 0.317 19041 1469 1 8 . 1 1 12 12 GLY C C 12 178.053 178.053 175.860 2.193 19041 1470 1 8 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.645 -0.670 19041 1471 1 8 . 1 1 12 12 GLY H H 12 8.822 8.822 8.125 0.697 19041 1472 1 8 . 1 1 13 13 THR N N 13 114.187 114.187 116.620 -2.433 19041 1473 1 8 . 1 1 13 13 THR HA H 13 3.838 3.838 4.033 -0.195 19041 1474 1 8 . 1 1 13 13 THR C C 13 175.194 175.194 176.607 -1.413 19041 1475 1 8 . 1 1 13 13 THR CA C 13 66.851 66.851 66.051 0.800 19041 1476 1 8 . 1 1 13 13 THR CB C 13 68.420 68.420 68.817 -0.397 19041 1477 1 8 . 1 1 13 13 THR H H 13 8.290 8.290 8.287 0.003 19041 1478 1 8 . 1 1 14 14 ALA N N 14 124.415 124.415 124.664 -0.249 19041 1479 1 8 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.093 -0.367 19041 1480 1 8 . 1 1 14 14 ALA C C 14 178.216 178.216 179.548 -1.332 19041 1481 1 8 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.108 -0.145 19041 1482 1 8 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.225 -1.045 19041 1483 1 8 . 1 1 14 14 ALA H H 14 7.831 7.831 8.388 -0.557 19041 1484 1 8 . 1 1 15 15 VAL N N 15 116.690 116.690 119.513 -2.823 19041 1485 1 8 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.704 -0.179 19041 1486 1 8 . 1 1 15 15 VAL CA C 15 66.460 66.460 65.513 0.947 19041 1487 1 8 . 1 1 15 15 VAL CB C 15 30.720 30.720 30.998 -0.278 19041 1488 1 8 . 1 1 15 15 VAL H H 15 8.128 8.128 7.764 0.364 19041 1489 1 8 . 1 1 16 16 ILE N N 16 118.922 118.922 119.720 -0.798 19041 1490 1 8 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.580 0.066 19041 1491 1 8 . 1 1 16 16 ILE C C 16 176.857 176.857 177.966 -1.109 19041 1492 1 8 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.810 0.969 19041 1493 1 8 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.174 0.538 19041 1494 1 8 . 1 1 16 16 ILE H H 16 7.948 7.948 7.769 0.179 19041 1495 1 8 . 1 1 17 17 ALA N N 17 121.524 121.524 122.890 -1.366 19041 1496 1 8 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.190 -0.252 19041 1497 1 8 . 1 1 17 17 ALA C C 17 178.412 178.412 180.207 -1.795 19041 1498 1 8 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.394 -0.277 19041 1499 1 8 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.298 -0.620 19041 1500 1 8 . 1 1 17 17 ALA H H 17 8.407 8.407 8.028 0.379 19041 1501 1 8 . 1 1 18 18 MET N N 18 116.280 116.280 117.649 -1.369 19041 1502 1 8 . 1 1 18 18 MET HA H 18 4.197 4.197 4.224 -0.027 19041 1503 1 8 . 1 1 18 18 MET C C 18 177.347 177.347 178.641 -1.294 19041 1504 1 8 . 1 1 18 18 MET CA C 18 58.791 58.791 58.507 0.284 19041 1505 1 8 . 1 1 18 18 MET CB C 18 32.163 32.163 31.924 0.239 19041 1506 1 8 . 1 1 18 18 MET H H 18 8.322 8.322 7.779 0.543 19041 1507 1 8 . 1 1 19 19 PHE N N 19 118.720 118.720 120.955 -2.235 19041 1508 1 8 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.142 0.059 19041 1509 1 8 . 1 1 19 19 PHE C C 19 176.162 176.162 177.660 -1.498 19041 1510 1 8 . 1 1 19 19 PHE CA C 19 60.912 60.912 62.199 -1.287 19041 1511 1 8 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.571 -0.332 19041 1512 1 8 . 1 1 19 19 PHE H H 19 8.402 8.402 7.966 0.436 19041 1513 1 8 . 1 1 20 20 PHE N N 20 118.374 118.374 117.980 0.394 19041 1514 1 8 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.211 -0.192 19041 1515 1 8 . 1 1 20 20 PHE CA C 20 61.436 61.436 61.557 -0.121 19041 1516 1 8 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.359 -0.018 19041 1517 1 8 . 1 1 20 20 PHE H H 20 8.542 8.542 8.048 0.494 19041 1518 1 8 . 1 1 21 21 TRP N N 21 119.404 119.404 120.839 -1.435 19041 1519 1 8 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.290 0.011 19041 1520 1 8 . 1 1 21 21 TRP H H 21 8.530 8.530 8.228 0.302 19041 1521 1 8 . 1 1 22 22 LEU N N 22 118.425 118.425 119.247 -0.822 19041 1522 1 8 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.864 -0.054 19041 1523 1 8 . 1 1 22 22 LEU C C 22 177.770 177.770 179.105 -1.335 19041 1524 1 8 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.166 -0.620 19041 1525 1 8 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.277 -0.186 19041 1526 1 8 . 1 1 22 22 LEU H H 22 8.275 8.275 7.940 0.335 19041 1527 1 8 . 1 1 23 23 LEU N N 23 118.342 118.342 120.522 -2.180 19041 1528 1 8 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.068 -0.265 19041 1529 1 8 . 1 1 23 23 LEU C C 23 177.738 177.738 178.662 -0.924 19041 1530 1 8 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.486 -0.769 19041 1531 1 8 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.676 -0.866 19041 1532 1 8 . 1 1 23 23 LEU H H 23 8.158 8.158 8.632 -0.474 19041 1533 1 8 . 1 1 24 24 LEU N N 24 118.660 118.660 119.422 -0.762 19041 1534 1 8 . 1 1 24 24 LEU HA H 24 3.785 3.785 4.017 -0.232 19041 1535 1 8 . 1 1 24 24 LEU C C 24 178.031 178.031 178.600 -0.569 19041 1536 1 8 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.073 -0.222 19041 1537 1 8 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.701 -0.998 19041 1538 1 8 . 1 1 24 24 LEU H H 24 8.060 8.060 8.170 -0.110 19041 1539 1 8 . 1 1 25 25 VAL N N 25 118.249 118.249 119.586 -1.337 19041 1540 1 8 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.434 0.020 19041 1541 1 8 . 1 1 25 25 VAL C C 25 177.314 177.314 178.298 -0.984 19041 1542 1 8 . 1 1 25 25 VAL CA C 25 66.805 66.805 66.673 0.132 19041 1543 1 8 . 1 1 25 25 VAL CB C 25 30.758 30.758 30.956 -0.198 19041 1544 1 8 . 1 1 25 25 VAL H H 25 8.145 8.145 7.473 0.672 19041 1545 1 8 . 1 1 26 26 ILE N N 26 119.609 119.609 119.671 -0.062 19041 1546 1 8 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.567 0.022 19041 1547 1 8 . 1 1 26 26 ILE C C 26 179.140 179.140 178.122 1.018 19041 1548 1 8 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.602 -0.597 19041 1549 1 8 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.605 -0.730 19041 1550 1 8 . 1 1 26 26 ILE H H 26 8.305 8.305 7.665 0.640 19041 1551 1 8 . 1 1 27 27 ILE N N 27 123.241 123.241 119.898 3.343 19041 1552 1 8 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.624 -0.056 19041 1553 1 8 . 1 1 27 27 ILE C C 27 177.292 177.292 178.091 -0.799 19041 1554 1 8 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.642 -0.091 19041 1555 1 8 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.776 -0.835 19041 1556 1 8 . 1 1 27 27 ILE H H 27 8.780 8.780 7.672 1.108 19041 1557 1 8 . 1 1 28 28 LEU N N 28 120.378 120.378 118.971 1.407 19041 1558 1 8 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.948 0.035 19041 1559 1 8 . 1 1 28 28 LEU C C 28 178.412 178.412 179.197 -0.785 19041 1560 1 8 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.762 0.154 19041 1561 1 8 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.125 -0.263 19041 1562 1 8 . 1 1 28 28 LEU H H 28 8.748 8.748 8.060 0.688 19041 1563 1 8 . 1 1 29 29 ARG N N 29 117.043 117.043 119.849 -2.806 19041 1564 1 8 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.034 -0.044 19041 1565 1 8 . 1 1 29 29 ARG C C 29 177.684 177.684 178.786 -1.102 19041 1566 1 8 . 1 1 29 29 ARG CA C 29 58.370 58.370 60.002 -1.632 19041 1567 1 8 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.037 -0.503 19041 1568 1 8 . 1 1 29 29 ARG H H 29 8.479 8.479 8.082 0.397 19041 1569 1 8 . 1 1 30 30 THR N N 30 115.547 115.547 116.210 -0.663 19041 1570 1 8 . 1 1 30 30 THR HA H 30 4.016 4.016 4.041 -0.025 19041 1571 1 8 . 1 1 30 30 THR C C 30 175.727 175.727 176.801 -1.074 19041 1572 1 8 . 1 1 30 30 THR CA C 30 65.740 65.740 66.586 -0.846 19041 1573 1 8 . 1 1 30 30 THR CB C 30 68.362 68.362 68.757 -0.395 19041 1574 1 8 . 1 1 30 30 THR H H 30 7.973 7.973 7.856 0.117 19041 1575 1 8 . 1 1 31 31 VAL N N 31 120.909 120.909 120.821 0.088 19041 1576 1 8 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.684 0.121 19041 1577 1 8 . 1 1 31 31 VAL C C 31 176.694 176.694 176.947 -0.253 19041 1578 1 8 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.136 -1.262 19041 1579 1 8 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.715 -0.580 19041 1580 1 8 . 1 1 31 31 VAL H H 31 8.344 8.344 7.753 0.591 19041 1581 1 8 . 1 1 32 32 LYS N N 32 120.269 120.269 119.545 0.724 19041 1582 1 8 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.044 0.138 19041 1583 1 8 . 1 1 32 32 LYS C C 32 177.183 177.183 178.941 -1.758 19041 1584 1 8 . 1 1 32 32 LYS CA C 32 57.422 57.422 58.892 -1.470 19041 1585 1 8 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.211 -0.358 19041 1586 1 8 . 1 1 32 32 LYS H H 32 8.082 8.082 7.980 0.102 19041 1587 1 8 . 1 1 33 33 ARG N N 33 119.458 119.458 118.922 0.536 19041 1588 1 8 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.158 0.060 19041 1589 1 8 . 1 1 33 33 ARG C C 33 176.879 176.879 178.176 -1.297 19041 1590 1 8 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.468 -1.680 19041 1591 1 8 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.909 0.023 19041 1592 1 8 . 1 1 33 33 ARG H H 33 7.885 7.885 7.788 0.097 19041 1593 1 8 . 1 1 34 34 ALA N N 34 123.244 123.244 121.814 1.430 19041 1594 1 8 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.120 0.159 19041 1595 1 8 . 1 1 34 34 ALA C C 34 177.162 177.162 179.385 -2.223 19041 1596 1 8 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.723 -2.021 19041 1597 1 8 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.188 0.071 19041 1598 1 8 . 1 1 34 34 ALA H H 34 8.106 8.106 7.755 0.351 19041 1599 1 8 . 1 1 35 35 ASN N N 35 116.546 116.546 117.491 -0.945 19041 1600 1 8 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.617 0.108 19041 1601 1 8 . 1 1 35 35 ASN C C 35 174.912 174.912 177.227 -2.315 19041 1602 1 8 . 1 1 35 35 ASN CA C 35 52.843 52.843 54.620 -1.778 19041 1603 1 8 . 1 1 35 35 ASN CB C 35 38.810 38.810 38.648 0.162 19041 1604 1 8 . 1 1 35 35 ASN H H 35 8.057 8.057 8.076 -0.019 19041 1605 1 8 . 1 1 36 36 GLY N N 36 108.684 108.684 108.160 0.524 19041 1606 1 8 . 1 1 36 36 GLY C C 36 173.118 173.118 175.060 -1.942 19041 1607 1 8 . 1 1 36 36 GLY CA C 36 45.077 45.077 44.774 0.303 19041 1608 1 8 . 1 1 36 36 GLY H H 36 8.075 8.075 7.437 0.638 19041 1609 1 9 . 1 1 2 2 LYS N N 2 121.643 121.643 119.591 2.052 19041 1610 1 9 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.419 0.161 19041 1611 1 9 . 1 1 2 2 LYS C C 2 176.249 176.249 177.748 -1.499 19041 1612 1 9 . 1 1 2 2 LYS CA C 2 57.181 57.181 57.563 -0.382 19041 1613 1 9 . 1 1 2 2 LYS CB C 2 32.121 32.121 33.256 -1.135 19041 1614 1 9 . 1 1 2 2 LYS H H 2 8.371 8.371 8.655 -0.284 19041 1615 1 9 . 1 1 3 3 THR N N 3 113.909 113.909 115.844 -1.935 19041 1616 1 9 . 1 1 3 3 THR HA H 3 4.165 4.165 3.909 0.256 19041 1617 1 9 . 1 1 3 3 THR C C 3 174.259 174.259 176.464 -2.205 19041 1618 1 9 . 1 1 3 3 THR CA C 3 63.240 63.240 66.637 -3.397 19041 1619 1 9 . 1 1 3 3 THR CB C 3 68.478 68.478 68.386 0.092 19041 1620 1 9 . 1 1 3 3 THR H H 3 8.062 8.062 8.406 -0.344 19041 1621 1 9 . 1 1 4 4 ASN N N 4 120.010 120.010 119.285 0.725 19041 1622 1 9 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.491 0.122 19041 1623 1 9 . 1 1 4 4 ASN C C 4 175.727 175.727 177.838 -2.111 19041 1624 1 9 . 1 1 4 4 ASN CA C 4 54.172 54.172 55.839 -1.667 19041 1625 1 9 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.792 -0.162 19041 1626 1 9 . 1 1 4 4 ASN H H 4 8.094 8.094 8.709 -0.615 19041 1627 1 9 . 1 1 5 5 LEU N N 5 121.143 121.143 121.126 0.017 19041 1628 1 9 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.035 0.031 19041 1629 1 9 . 1 1 5 5 LEU C C 5 177.205 177.205 178.517 -1.312 19041 1630 1 9 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.900 -0.510 19041 1631 1 9 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.805 -0.412 19041 1632 1 9 . 1 1 5 5 LEU H H 5 8.143 8.143 7.328 0.815 19041 1633 1 9 . 1 1 6 6 GLU N N 6 116.843 116.843 119.773 -2.930 19041 1634 1 9 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.948 -0.132 19041 1635 1 9 . 1 1 6 6 GLU C C 6 177.020 177.020 179.453 -2.433 19041 1636 1 9 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.480 0.253 19041 1637 1 9 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.090 -1.211 19041 1638 1 9 . 1 1 6 6 GLU H H 6 8.425 8.425 8.188 0.237 19041 1639 1 9 . 1 1 7 7 ILE N N 7 117.010 117.010 120.077 -3.067 19041 1640 1 9 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.737 0.019 19041 1641 1 9 . 1 1 7 7 ILE C C 7 176.466 176.466 177.943 -1.477 19041 1642 1 9 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.257 -1.144 19041 1643 1 9 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.881 -0.891 19041 1644 1 9 . 1 1 7 7 ILE H H 7 7.718 7.718 7.963 -0.245 19041 1645 1 9 . 1 1 8 8 ILE N N 8 119.491 119.491 120.313 -0.822 19041 1646 1 9 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.556 0.073 19041 1647 1 9 . 1 1 8 8 ILE C C 8 177.097 177.097 178.159 -1.062 19041 1648 1 9 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.765 -0.802 19041 1649 1 9 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.680 -0.673 19041 1650 1 9 . 1 1 8 8 ILE H H 8 7.796 7.796 7.567 0.229 19041 1651 1 9 . 1 1 9 9 ILE N N 9 118.434 118.434 119.558 -1.124 19041 1652 1 9 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.678 0.039 19041 1653 1 9 . 1 1 9 9 ILE C C 9 178.010 178.010 178.249 -0.239 19041 1654 1 9 . 1 1 9 9 ILE CA C 9 64.576 64.576 64.454 0.122 19041 1655 1 9 . 1 1 9 9 ILE CB C 9 36.919 36.919 36.477 0.442 19041 1656 1 9 . 1 1 9 9 ILE H H 9 8.242 8.242 8.436 -0.194 19041 1657 1 9 . 1 1 10 10 LEU N N 10 122.496 122.496 121.186 1.310 19041 1658 1 9 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.004 0.078 19041 1659 1 9 . 1 1 10 10 LEU C C 10 177.455 177.455 180.000 -2.545 19041 1660 1 9 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.401 0.028 19041 1661 1 9 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.804 0.711 19041 1662 1 9 . 1 1 10 10 LEU H H 10 8.199 8.199 7.856 0.343 19041 1663 1 9 . 1 1 11 11 VAL N N 11 117.697 117.697 118.215 -0.518 19041 1664 1 9 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.638 -0.080 19041 1665 1 9 . 1 1 11 11 VAL C C 11 177.140 177.140 178.355 -1.215 19041 1666 1 9 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.947 -0.661 19041 1667 1 9 . 1 1 11 11 VAL CB C 11 30.916 30.916 30.796 0.120 19041 1668 1 9 . 1 1 11 11 VAL H H 11 8.620 8.620 8.105 0.515 19041 1669 1 9 . 1 1 12 12 GLY N N 12 106.308 106.308 106.307 0.001 19041 1670 1 9 . 1 1 12 12 GLY C C 12 178.053 178.053 176.160 1.893 19041 1671 1 9 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.544 -0.569 19041 1672 1 9 . 1 1 12 12 GLY H H 12 8.822 8.822 8.226 0.596 19041 1673 1 9 . 1 1 13 13 THR N N 13 114.187 114.187 116.626 -2.439 19041 1674 1 9 . 1 1 13 13 THR HA H 13 3.838 3.838 4.025 -0.187 19041 1675 1 9 . 1 1 13 13 THR C C 13 175.194 175.194 176.506 -1.312 19041 1676 1 9 . 1 1 13 13 THR CA C 13 66.851 66.851 66.201 0.650 19041 1677 1 9 . 1 1 13 13 THR CB C 13 68.420 68.420 68.710 -0.290 19041 1678 1 9 . 1 1 13 13 THR H H 13 8.290 8.290 8.307 -0.017 19041 1679 1 9 . 1 1 14 14 ALA N N 14 124.415 124.415 124.926 -0.511 19041 1680 1 9 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.095 -0.369 19041 1681 1 9 . 1 1 14 14 ALA C C 14 178.216 178.216 179.618 -1.402 19041 1682 1 9 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.148 -0.185 19041 1683 1 9 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.149 -0.969 19041 1684 1 9 . 1 1 14 14 ALA H H 14 7.831 7.831 8.398 -0.567 19041 1685 1 9 . 1 1 15 15 VAL N N 15 116.690 116.690 119.201 -2.511 19041 1686 1 9 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.575 -0.050 19041 1687 1 9 . 1 1 15 15 VAL CA C 15 66.460 66.460 66.634 -0.174 19041 1688 1 9 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.751 -1.031 19041 1689 1 9 . 1 1 15 15 VAL H H 15 8.128 8.128 7.658 0.470 19041 1690 1 9 . 1 1 16 16 ILE N N 16 118.922 118.922 119.401 -0.479 19041 1691 1 9 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.569 0.077 19041 1692 1 9 . 1 1 16 16 ILE C C 16 176.857 176.857 177.929 -1.072 19041 1693 1 9 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.511 1.268 19041 1694 1 9 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.281 0.431 19041 1695 1 9 . 1 1 16 16 ILE H H 16 7.948 7.948 7.745 0.203 19041 1696 1 9 . 1 1 17 17 ALA N N 17 121.524 121.524 122.486 -0.962 19041 1697 1 9 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.189 -0.251 19041 1698 1 9 . 1 1 17 17 ALA C C 17 178.412 178.412 179.710 -1.298 19041 1699 1 9 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.282 -0.165 19041 1700 1 9 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.173 -0.495 19041 1701 1 9 . 1 1 17 17 ALA H H 17 8.407 8.407 7.975 0.432 19041 1702 1 9 . 1 1 18 18 MET N N 18 116.280 116.280 118.585 -2.305 19041 1703 1 9 . 1 1 18 18 MET HA H 18 4.197 4.197 4.170 0.027 19041 1704 1 9 . 1 1 18 18 MET C C 18 177.347 177.347 178.107 -0.760 19041 1705 1 9 . 1 1 18 18 MET CA C 18 58.791 58.791 58.903 -0.112 19041 1706 1 9 . 1 1 18 18 MET CB C 18 32.163 32.163 32.677 -0.514 19041 1707 1 9 . 1 1 18 18 MET H H 18 8.322 8.322 7.739 0.583 19041 1708 1 9 . 1 1 19 19 PHE N N 19 118.720 118.720 120.374 -1.654 19041 1709 1 9 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.105 0.096 19041 1710 1 9 . 1 1 19 19 PHE C C 19 176.162 176.162 177.355 -1.193 19041 1711 1 9 . 1 1 19 19 PHE CA C 19 60.912 60.912 62.103 -1.191 19041 1712 1 9 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.774 -0.535 19041 1713 1 9 . 1 1 19 19 PHE H H 19 8.402 8.402 7.939 0.463 19041 1714 1 9 . 1 1 20 20 PHE N N 20 118.374 118.374 118.016 0.358 19041 1715 1 9 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.227 -0.208 19041 1716 1 9 . 1 1 20 20 PHE CA C 20 61.436 61.436 61.634 -0.198 19041 1717 1 9 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.376 -0.035 19041 1718 1 9 . 1 1 20 20 PHE H H 20 8.542 8.542 8.043 0.499 19041 1719 1 9 . 1 1 21 21 TRP N N 21 119.404 119.404 120.777 -1.373 19041 1720 1 9 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.273 0.028 19041 1721 1 9 . 1 1 21 21 TRP H H 21 8.530 8.530 8.238 0.292 19041 1722 1 9 . 1 1 22 22 LEU N N 22 118.425 118.425 118.842 -0.417 19041 1723 1 9 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.760 0.050 19041 1724 1 9 . 1 1 22 22 LEU C C 22 177.770 177.770 179.017 -1.247 19041 1725 1 9 . 1 1 22 22 LEU CA C 22 57.546 57.546 57.847 -0.301 19041 1726 1 9 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.841 -0.750 19041 1727 1 9 . 1 1 22 22 LEU H H 22 8.275 8.275 7.900 0.375 19041 1728 1 9 . 1 1 23 23 LEU N N 23 118.342 118.342 120.382 -2.040 19041 1729 1 9 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.051 -0.248 19041 1730 1 9 . 1 1 23 23 LEU C C 23 177.738 177.738 178.568 -0.830 19041 1731 1 9 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.358 -0.642 19041 1732 1 9 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.759 -0.949 19041 1733 1 9 . 1 1 23 23 LEU H H 23 8.158 8.158 8.597 -0.439 19041 1734 1 9 . 1 1 24 24 LEU N N 24 118.660 118.660 119.477 -0.817 19041 1735 1 9 . 1 1 24 24 LEU HA H 24 3.785 3.785 4.021 -0.236 19041 1736 1 9 . 1 1 24 24 LEU C C 24 178.031 178.031 178.600 -0.569 19041 1737 1 9 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.104 -0.253 19041 1738 1 9 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.707 -1.004 19041 1739 1 9 . 1 1 24 24 LEU H H 24 8.060 8.060 8.190 -0.130 19041 1740 1 9 . 1 1 25 25 VAL N N 25 118.249 118.249 119.586 -1.337 19041 1741 1 9 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.434 0.020 19041 1742 1 9 . 1 1 25 25 VAL C C 25 177.314 177.314 178.316 -1.002 19041 1743 1 9 . 1 1 25 25 VAL CA C 25 66.805 66.805 66.667 0.138 19041 1744 1 9 . 1 1 25 25 VAL CB C 25 30.758 30.758 30.967 -0.209 19041 1745 1 9 . 1 1 25 25 VAL H H 25 8.145 8.145 7.470 0.675 19041 1746 1 9 . 1 1 26 26 ILE N N 26 119.609 119.609 119.617 -0.008 19041 1747 1 9 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.566 0.023 19041 1748 1 9 . 1 1 26 26 ILE C C 26 179.140 179.140 178.126 1.014 19041 1749 1 9 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.593 -0.588 19041 1750 1 9 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.606 -0.731 19041 1751 1 9 . 1 1 26 26 ILE H H 26 8.305 8.305 7.664 0.641 19041 1752 1 9 . 1 1 27 27 ILE N N 27 123.241 123.241 119.935 3.306 19041 1753 1 9 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.627 -0.059 19041 1754 1 9 . 1 1 27 27 ILE C C 27 177.292 177.292 178.063 -0.771 19041 1755 1 9 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.623 -0.072 19041 1756 1 9 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.790 -0.849 19041 1757 1 9 . 1 1 27 27 ILE H H 27 8.780 8.780 7.648 1.132 19041 1758 1 9 . 1 1 28 28 LEU N N 28 120.378 120.378 118.938 1.440 19041 1759 1 9 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.944 0.039 19041 1760 1 9 . 1 1 28 28 LEU C C 28 178.412 178.412 179.189 -0.777 19041 1761 1 9 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.785 0.131 19041 1762 1 9 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.108 -0.246 19041 1763 1 9 . 1 1 28 28 LEU H H 28 8.748 8.748 8.092 0.656 19041 1764 1 9 . 1 1 29 29 ARG N N 29 117.043 117.043 119.649 -2.606 19041 1765 1 9 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.067 -0.077 19041 1766 1 9 . 1 1 29 29 ARG C C 29 177.684 177.684 178.864 -1.180 19041 1767 1 9 . 1 1 29 29 ARG CA C 29 58.370 58.370 59.737 -1.367 19041 1768 1 9 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.041 -0.507 19041 1769 1 9 . 1 1 29 29 ARG H H 29 8.479 8.479 7.927 0.552 19041 1770 1 9 . 1 1 30 30 THR N N 30 115.547 115.547 115.610 -0.063 19041 1771 1 9 . 1 1 30 30 THR HA H 30 4.016 4.016 4.089 -0.073 19041 1772 1 9 . 1 1 30 30 THR C C 30 175.727 175.727 176.837 -1.110 19041 1773 1 9 . 1 1 30 30 THR CA C 30 65.740 65.740 66.526 -0.786 19041 1774 1 9 . 1 1 30 30 THR CB C 30 68.362 68.362 68.625 -0.263 19041 1775 1 9 . 1 1 30 30 THR H H 30 7.973 7.973 7.839 0.134 19041 1776 1 9 . 1 1 31 31 VAL N N 31 120.909 120.909 120.532 0.377 19041 1777 1 9 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.773 0.032 19041 1778 1 9 . 1 1 31 31 VAL C C 31 176.694 176.694 177.498 -0.804 19041 1779 1 9 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.288 -1.415 19041 1780 1 9 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.140 -0.005 19041 1781 1 9 . 1 1 31 31 VAL H H 31 8.344 8.344 7.829 0.515 19041 1782 1 9 . 1 1 32 32 LYS N N 32 120.269 120.269 119.772 0.497 19041 1783 1 9 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.044 0.138 19041 1784 1 9 . 1 1 32 32 LYS C C 32 177.183 177.183 179.066 -1.883 19041 1785 1 9 . 1 1 32 32 LYS CA C 32 57.422 57.422 59.045 -1.623 19041 1786 1 9 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.263 -0.410 19041 1787 1 9 . 1 1 32 32 LYS H H 32 8.082 8.082 7.865 0.217 19041 1788 1 9 . 1 1 33 33 ARG N N 33 119.458 119.458 118.452 1.006 19041 1789 1 9 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.153 0.065 19041 1790 1 9 . 1 1 33 33 ARG C C 33 176.879 176.879 178.540 -1.661 19041 1791 1 9 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.461 -1.673 19041 1792 1 9 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.933 -0.001 19041 1793 1 9 . 1 1 33 33 ARG H H 33 7.885 7.885 7.749 0.136 19041 1794 1 9 . 1 1 34 34 ALA N N 34 123.244 123.244 121.815 1.429 19041 1795 1 9 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.185 0.094 19041 1796 1 9 . 1 1 34 34 ALA C C 34 177.162 177.162 179.450 -2.288 19041 1797 1 9 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.536 -1.834 19041 1798 1 9 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.274 -0.015 19041 1799 1 9 . 1 1 34 34 ALA H H 34 8.106 8.106 7.652 0.454 19041 1800 1 9 . 1 1 35 35 ASN N N 35 116.546 116.546 117.877 -1.331 19041 1801 1 9 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.501 0.224 19041 1802 1 9 . 1 1 35 35 ASN C C 35 174.912 174.912 175.647 -0.735 19041 1803 1 9 . 1 1 35 35 ASN CA C 35 52.843 52.843 54.783 -1.940 19041 1804 1 9 . 1 1 35 35 ASN CB C 35 38.810 38.810 39.072 -0.262 19041 1805 1 9 . 1 1 35 35 ASN H H 35 8.057 8.057 7.736 0.321 19041 1806 1 9 . 1 1 36 36 GLY N N 36 108.684 108.684 105.488 3.196 19041 1807 1 9 . 1 1 36 36 GLY C C 36 173.118 173.118 173.503 -0.385 19041 1808 1 9 . 1 1 36 36 GLY CA C 36 45.077 45.077 44.595 0.482 19041 1809 1 9 . 1 1 36 36 GLY H H 36 8.075 8.075 7.529 0.546 19041 1810 1 10 . 1 1 2 2 LYS N N 2 121.643 121.643 122.187 -0.544 19041 1811 1 10 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.061 0.519 19041 1812 1 10 . 1 1 2 2 LYS C C 2 176.249 176.249 178.191 -1.942 19041 1813 1 10 . 1 1 2 2 LYS CA C 2 57.181 57.181 59.374 -2.193 19041 1814 1 10 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.227 -0.106 19041 1815 1 10 . 1 1 2 2 LYS H H 2 8.371 8.371 8.778 -0.407 19041 1816 1 10 . 1 1 3 3 THR N N 3 113.909 113.909 113.216 0.693 19041 1817 1 10 . 1 1 3 3 THR HA H 3 4.165 4.165 4.046 0.119 19041 1818 1 10 . 1 1 3 3 THR C C 3 174.259 174.259 176.576 -2.317 19041 1819 1 10 . 1 1 3 3 THR CA C 3 63.240 63.240 65.984 -2.744 19041 1820 1 10 . 1 1 3 3 THR CB C 3 68.478 68.478 68.037 0.441 19041 1821 1 10 . 1 1 3 3 THR H H 3 8.062 8.062 8.194 -0.132 19041 1822 1 10 . 1 1 4 4 ASN N N 4 120.010 120.010 119.787 0.223 19041 1823 1 10 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.486 0.127 19041 1824 1 10 . 1 1 4 4 ASN C C 4 175.727 175.727 177.926 -2.199 19041 1825 1 10 . 1 1 4 4 ASN CA C 4 54.172 54.172 56.190 -2.018 19041 1826 1 10 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.719 -0.089 19041 1827 1 10 . 1 1 4 4 ASN H H 4 8.094 8.094 8.717 -0.623 19041 1828 1 10 . 1 1 5 5 LEU N N 5 121.143 121.143 120.785 0.358 19041 1829 1 10 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.017 0.049 19041 1830 1 10 . 1 1 5 5 LEU C C 5 177.205 177.205 178.480 -1.275 19041 1831 1 10 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.962 -0.572 19041 1832 1 10 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.744 -0.351 19041 1833 1 10 . 1 1 5 5 LEU H H 5 8.143 8.143 7.315 0.828 19041 1834 1 10 . 1 1 6 6 GLU N N 6 116.843 116.843 119.719 -2.876 19041 1835 1 10 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.944 -0.128 19041 1836 1 10 . 1 1 6 6 GLU C C 6 177.020 177.020 179.453 -2.433 19041 1837 1 10 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.496 0.237 19041 1838 1 10 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.098 -1.219 19041 1839 1 10 . 1 1 6 6 GLU H H 6 8.425 8.425 8.152 0.273 19041 1840 1 10 . 1 1 7 7 ILE N N 7 117.010 117.010 120.060 -3.050 19041 1841 1 10 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.734 0.022 19041 1842 1 10 . 1 1 7 7 ILE C C 7 176.466 176.466 177.946 -1.480 19041 1843 1 10 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.284 -1.171 19041 1844 1 10 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.882 -0.891 19041 1845 1 10 . 1 1 7 7 ILE H H 7 7.718 7.718 7.965 -0.247 19041 1846 1 10 . 1 1 8 8 ILE N N 8 119.491 119.491 120.235 -0.744 19041 1847 1 10 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.523 0.106 19041 1848 1 10 . 1 1 8 8 ILE C C 8 177.097 177.097 178.019 -0.922 19041 1849 1 10 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.873 -0.910 19041 1850 1 10 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.760 -0.753 19041 1851 1 10 . 1 1 8 8 ILE H H 8 7.796 7.796 7.543 0.253 19041 1852 1 10 . 1 1 9 9 ILE N N 9 118.434 118.434 119.539 -1.105 19041 1853 1 10 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.566 0.151 19041 1854 1 10 . 1 1 9 9 ILE C C 9 178.010 178.010 178.019 -0.009 19041 1855 1 10 . 1 1 9 9 ILE CA C 9 64.576 64.576 65.674 -1.099 19041 1856 1 10 . 1 1 9 9 ILE CB C 9 36.919 36.919 37.532 -0.613 19041 1857 1 10 . 1 1 9 9 ILE H H 9 8.242 8.242 8.384 -0.142 19041 1858 1 10 . 1 1 10 10 LEU N N 10 122.496 122.496 120.928 1.568 19041 1859 1 10 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.016 0.066 19041 1860 1 10 . 1 1 10 10 LEU C C 10 177.455 177.455 179.855 -2.400 19041 1861 1 10 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.282 0.147 19041 1862 1 10 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.754 0.761 19041 1863 1 10 . 1 1 10 10 LEU H H 10 8.199 8.199 7.799 0.400 19041 1864 1 10 . 1 1 11 11 VAL N N 11 117.697 117.697 118.228 -0.531 19041 1865 1 10 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.639 -0.081 19041 1866 1 10 . 1 1 11 11 VAL C C 11 177.140 177.140 178.367 -1.227 19041 1867 1 10 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.937 -0.651 19041 1868 1 10 . 1 1 11 11 VAL CB C 11 30.916 30.916 30.795 0.121 19041 1869 1 10 . 1 1 11 11 VAL H H 11 8.620 8.620 8.097 0.523 19041 1870 1 10 . 1 1 12 12 GLY N N 12 106.308 106.308 106.301 0.007 19041 1871 1 10 . 1 1 12 12 GLY C C 12 178.053 178.053 176.169 1.884 19041 1872 1 10 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.544 -0.569 19041 1873 1 10 . 1 1 12 12 GLY H H 12 8.822 8.822 8.224 0.598 19041 1874 1 10 . 1 1 13 13 THR N N 13 114.187 114.187 116.635 -2.448 19041 1875 1 10 . 1 1 13 13 THR HA H 13 3.838 3.838 4.029 -0.191 19041 1876 1 10 . 1 1 13 13 THR C C 13 175.194 175.194 176.498 -1.304 19041 1877 1 10 . 1 1 13 13 THR CA C 13 66.851 66.851 66.211 0.640 19041 1878 1 10 . 1 1 13 13 THR CB C 13 68.420 68.420 68.709 -0.289 19041 1879 1 10 . 1 1 13 13 THR H H 13 8.290 8.290 8.306 -0.016 19041 1880 1 10 . 1 1 14 14 ALA N N 14 124.415 124.415 124.891 -0.476 19041 1881 1 10 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.097 -0.371 19041 1882 1 10 . 1 1 14 14 ALA C C 14 178.216 178.216 179.631 -1.415 19041 1883 1 10 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.148 -0.185 19041 1884 1 10 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.150 -0.970 19041 1885 1 10 . 1 1 14 14 ALA H H 14 7.831 7.831 8.407 -0.576 19041 1886 1 10 . 1 1 15 15 VAL N N 15 116.690 116.690 119.429 -2.739 19041 1887 1 10 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.587 -0.062 19041 1888 1 10 . 1 1 15 15 VAL CA C 15 66.460 66.460 66.516 -0.056 19041 1889 1 10 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.675 -0.955 19041 1890 1 10 . 1 1 15 15 VAL H H 15 8.128 8.128 7.702 0.426 19041 1891 1 10 . 1 1 16 16 ILE N N 16 118.922 118.922 119.523 -0.601 19041 1892 1 10 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.607 0.039 19041 1893 1 10 . 1 1 16 16 ILE C C 16 176.857 176.857 177.933 -1.076 19041 1894 1 10 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.535 1.244 19041 1895 1 10 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.318 0.394 19041 1896 1 10 . 1 1 16 16 ILE H H 16 7.948 7.948 7.759 0.189 19041 1897 1 10 . 1 1 17 17 ALA N N 17 121.524 121.524 122.967 -1.443 19041 1898 1 10 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.201 -0.263 19041 1899 1 10 . 1 1 17 17 ALA C C 17 178.412 178.412 180.166 -1.754 19041 1900 1 10 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.434 -0.317 19041 1901 1 10 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.329 -0.651 19041 1902 1 10 . 1 1 17 17 ALA H H 17 8.407 8.407 8.048 0.359 19041 1903 1 10 . 1 1 18 18 MET N N 18 116.280 116.280 117.611 -1.331 19041 1904 1 10 . 1 1 18 18 MET HA H 18 4.197 4.197 4.242 -0.045 19041 1905 1 10 . 1 1 18 18 MET C C 18 177.347 177.347 178.670 -1.323 19041 1906 1 10 . 1 1 18 18 MET CA C 18 58.791 58.791 57.791 1.000 19041 1907 1 10 . 1 1 18 18 MET CB C 18 32.163 32.163 31.608 0.555 19041 1908 1 10 . 1 1 18 18 MET H H 18 8.322 8.322 7.758 0.564 19041 1909 1 10 . 1 1 19 19 PHE N N 19 118.720 118.720 120.939 -2.219 19041 1910 1 10 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.133 0.068 19041 1911 1 10 . 1 1 19 19 PHE C C 19 176.162 176.162 177.645 -1.483 19041 1912 1 10 . 1 1 19 19 PHE CA C 19 60.912 60.912 62.302 -1.390 19041 1913 1 10 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.579 -0.340 19041 1914 1 10 . 1 1 19 19 PHE H H 19 8.402 8.402 7.973 0.429 19041 1915 1 10 . 1 1 20 20 PHE N N 20 118.374 118.374 118.059 0.315 19041 1916 1 10 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.208 -0.189 19041 1917 1 10 . 1 1 20 20 PHE CA C 20 61.436 61.436 61.607 -0.171 19041 1918 1 10 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.373 -0.032 19041 1919 1 10 . 1 1 20 20 PHE H H 20 8.542 8.542 8.040 0.502 19041 1920 1 10 . 1 1 21 21 TRP N N 21 119.404 119.404 120.767 -1.363 19041 1921 1 10 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.277 0.024 19041 1922 1 10 . 1 1 21 21 TRP H H 21 8.530 8.530 8.241 0.289 19041 1923 1 10 . 1 1 22 22 LEU N N 22 118.425 118.425 119.252 -0.827 19041 1924 1 10 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.827 -0.017 19041 1925 1 10 . 1 1 22 22 LEU C C 22 177.770 177.770 178.993 -1.223 19041 1926 1 10 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.531 -0.985 19041 1927 1 10 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.670 -0.579 19041 1928 1 10 . 1 1 22 22 LEU H H 22 8.275 8.275 7.927 0.348 19041 1929 1 10 . 1 1 23 23 LEU N N 23 118.342 118.342 120.364 -2.022 19041 1930 1 10 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.059 -0.256 19041 1931 1 10 . 1 1 23 23 LEU C C 23 177.738 177.738 178.607 -0.869 19041 1932 1 10 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.435 -0.718 19041 1933 1 10 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.709 -0.899 19041 1934 1 10 . 1 1 23 23 LEU H H 23 8.158 8.158 8.636 -0.478 19041 1935 1 10 . 1 1 24 24 LEU N N 24 118.660 118.660 119.301 -0.641 19041 1936 1 10 . 1 1 24 24 LEU HA H 24 3.785 3.785 3.982 -0.197 19041 1937 1 10 . 1 1 24 24 LEU C C 24 178.031 178.031 178.512 -0.481 19041 1938 1 10 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.198 -0.347 19041 1939 1 10 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.675 -0.972 19041 1940 1 10 . 1 1 24 24 LEU H H 24 8.060 8.060 8.173 -0.113 19041 1941 1 10 . 1 1 25 25 VAL N N 25 118.249 118.249 119.736 -1.487 19041 1942 1 10 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.418 0.036 19041 1943 1 10 . 1 1 25 25 VAL C C 25 177.314 177.314 178.021 -0.707 19041 1944 1 10 . 1 1 25 25 VAL CA C 25 66.805 66.805 67.187 -0.382 19041 1945 1 10 . 1 1 25 25 VAL CB C 25 30.758 30.758 31.369 -0.611 19041 1946 1 10 . 1 1 25 25 VAL H H 25 8.145 8.145 7.459 0.686 19041 1947 1 10 . 1 1 26 26 ILE N N 26 119.609 119.609 119.517 0.092 19041 1948 1 10 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.547 0.042 19041 1949 1 10 . 1 1 26 26 ILE C C 26 179.140 179.140 177.995 1.145 19041 1950 1 10 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.484 -0.479 19041 1951 1 10 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.600 -0.725 19041 1952 1 10 . 1 1 26 26 ILE H H 26 8.305 8.305 7.658 0.647 19041 1953 1 10 . 1 1 27 27 ILE N N 27 123.241 123.241 119.975 3.266 19041 1954 1 10 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.627 -0.059 19041 1955 1 10 . 1 1 27 27 ILE C C 27 177.292 177.292 178.048 -0.756 19041 1956 1 10 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.634 -0.083 19041 1957 1 10 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.792 -0.851 19041 1958 1 10 . 1 1 27 27 ILE H H 27 8.780 8.780 7.648 1.132 19041 1959 1 10 . 1 1 28 28 LEU N N 28 120.378 120.378 118.981 1.397 19041 1960 1 10 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.938 0.045 19041 1961 1 10 . 1 1 28 28 LEU C C 28 178.412 178.412 179.175 -0.763 19041 1962 1 10 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.815 0.102 19041 1963 1 10 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.112 -0.250 19041 1964 1 10 . 1 1 28 28 LEU H H 28 8.748 8.748 8.104 0.644 19041 1965 1 10 . 1 1 29 29 ARG N N 29 117.043 117.043 119.684 -2.641 19041 1966 1 10 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.055 -0.065 19041 1967 1 10 . 1 1 29 29 ARG C C 29 177.684 177.684 178.816 -1.132 19041 1968 1 10 . 1 1 29 29 ARG CA C 29 58.370 58.370 59.856 -1.486 19041 1969 1 10 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.050 -0.516 19041 1970 1 10 . 1 1 29 29 ARG H H 29 8.479 8.479 7.925 0.554 19041 1971 1 10 . 1 1 30 30 THR N N 30 115.547 115.547 115.589 -0.042 19041 1972 1 10 . 1 1 30 30 THR HA H 30 4.016 4.016 4.081 -0.065 19041 1973 1 10 . 1 1 30 30 THR C C 30 175.727 175.727 176.630 -0.903 19041 1974 1 10 . 1 1 30 30 THR CA C 30 65.740 65.740 66.796 -1.056 19041 1975 1 10 . 1 1 30 30 THR CB C 30 68.362 68.362 68.563 -0.201 19041 1976 1 10 . 1 1 30 30 THR H H 30 7.973 7.973 7.864 0.109 19041 1977 1 10 . 1 1 31 31 VAL N N 31 120.909 120.909 120.792 0.117 19041 1978 1 10 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.674 0.131 19041 1979 1 10 . 1 1 31 31 VAL C C 31 176.694 176.694 177.429 -0.735 19041 1980 1 10 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.334 -1.460 19041 1981 1 10 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.582 -0.447 19041 1982 1 10 . 1 1 31 31 VAL H H 31 8.344 8.344 7.768 0.577 19041 1983 1 10 . 1 1 32 32 LYS N N 32 120.269 120.269 119.378 0.891 19041 1984 1 10 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.069 0.113 19041 1985 1 10 . 1 1 32 32 LYS C C 32 177.183 177.183 179.125 -1.942 19041 1986 1 10 . 1 1 32 32 LYS CA C 32 57.422 57.422 59.161 -1.739 19041 1987 1 10 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.178 -0.325 19041 1988 1 10 . 1 1 32 32 LYS H H 32 8.082 8.082 7.698 0.384 19041 1989 1 10 . 1 1 33 33 ARG N N 33 119.458 119.458 118.943 0.515 19041 1990 1 10 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.136 0.082 19041 1991 1 10 . 1 1 33 33 ARG C C 33 176.879 176.879 178.183 -1.304 19041 1992 1 10 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.351 -1.563 19041 1993 1 10 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.966 -0.034 19041 1994 1 10 . 1 1 33 33 ARG H H 33 7.885 7.885 7.748 0.137 19041 1995 1 10 . 1 1 34 34 ALA N N 34 123.244 123.244 121.544 1.700 19041 1996 1 10 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.160 0.119 19041 1997 1 10 . 1 1 34 34 ALA C C 34 177.162 177.162 179.151 -1.989 19041 1998 1 10 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.594 -1.892 19041 1999 1 10 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.267 -0.007 19041 2000 1 10 . 1 1 34 34 ALA H H 34 8.106 8.106 7.620 0.486 19041 2001 1 10 . 1 1 35 35 ASN N N 35 116.546 116.546 116.997 -0.451 19041 2002 1 10 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.473 0.252 19041 2003 1 10 . 1 1 35 35 ASN C C 35 174.912 174.912 177.298 -2.386 19041 2004 1 10 . 1 1 35 35 ASN CA C 35 52.843 52.843 55.564 -2.721 19041 2005 1 10 . 1 1 35 35 ASN CB C 35 38.810 38.810 38.554 0.256 19041 2006 1 10 . 1 1 35 35 ASN H H 35 8.057 8.057 7.718 0.339 19041 2007 1 10 . 1 1 36 36 GLY N N 36 108.684 108.684 107.204 1.480 19041 2008 1 10 . 1 1 36 36 GLY C C 36 173.118 173.118 174.073 -0.955 19041 2009 1 10 . 1 1 36 36 GLY CA C 36 45.077 45.077 45.007 0.070 19041 2010 1 10 . 1 1 36 36 GLY H H 36 8.075 8.075 7.832 0.243 19041 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 1.596 0.445 1.555 19041 2 1 1 "Average Difference" HA 37 0.168 -0.006 0.170 19041 3 1 1 "Average Difference" C 32 1.548 1.185 1.011 19041 4 1 1 "Average Difference" CA 34 1.220 0.736 0.988 19041 5 1 1 "Average Difference" CB 32 0.620 0.394 0.487 19041 6 1 1 "Average Difference" HN 35 0.445 -0.234 0.384 19041 7 1 2 "Average Difference" N 35 1.585 0.403 1.555 19041 8 1 2 "Average Difference" HA 37 0.169 -0.026 0.169 19041 9 1 2 "Average Difference" C 32 1.434 1.090 0.945 19041 10 1 2 "Average Difference" CA 34 1.254 0.741 1.026 19041 11 1 2 "Average Difference" CB 32 0.631 0.407 0.490 19041 12 1 2 "Average Difference" HN 35 0.474 -0.267 0.398 19041 13 1 3 "Average Difference" N 35 1.637 0.504 1.580 19041 14 1 3 "Average Difference" HA 37 0.159 0.005 0.162 19041 15 1 3 "Average Difference" C 32 1.513 1.176 0.968 19041 16 1 3 "Average Difference" CA 34 1.097 0.659 0.890 19041 17 1 3 "Average Difference" CB 32 0.603 0.370 0.483 19041 18 1 3 "Average Difference" HN 35 0.448 -0.257 0.372 19041 19 1 4 "Average Difference" N 35 1.643 0.456 1.602 19041 20 1 4 "Average Difference" HA 37 0.134 0.015 0.135 19041 21 1 4 "Average Difference" C 32 1.428 1.111 0.912 19041 22 1 4 "Average Difference" CA 34 0.993 0.614 0.792 19041 23 1 4 "Average Difference" CB 32 0.650 0.422 0.502 19041 24 1 4 "Average Difference" HN 35 0.473 -0.269 0.394 19041 25 1 5 "Average Difference" N 35 1.611 0.494 1.556 19041 26 1 5 "Average Difference" HA 37 0.135 0.020 0.135 19041 27 1 5 "Average Difference" C 32 1.435 1.109 0.927 19041 28 1 5 "Average Difference" CA 34 0.984 0.603 0.789 19041 29 1 5 "Average Difference" CB 32 0.632 0.412 0.486 19041 30 1 5 "Average Difference" HN 35 0.462 -0.246 0.396 19041 31 1 6 "Average Difference" N 35 1.594 0.407 1.563 19041 32 1 6 "Average Difference" HA 37 0.133 0.010 0.134 19041 33 1 6 "Average Difference" C 32 1.430 1.114 0.911 19041 34 1 6 "Average Difference" CA 34 1.075 0.691 0.836 19041 35 1 6 "Average Difference" CB 32 0.660 0.462 0.480 19041 36 1 6 "Average Difference" HN 35 0.485 -0.284 0.398 19041 37 1 7 "Average Difference" N 35 1.585 0.421 1.551 19041 38 1 7 "Average Difference" HA 37 0.145 0.026 0.145 19041 39 1 7 "Average Difference" C 32 1.472 1.174 0.901 19041 40 1 7 "Average Difference" CA 34 1.011 0.612 0.816 19041 41 1 7 "Average Difference" CB 32 0.594 0.402 0.444 19041 42 1 7 "Average Difference" HN 35 0.456 -0.240 0.394 19041 43 1 8 "Average Difference" N 35 1.591 0.545 1.517 19041 44 1 8 "Average Difference" HA 37 0.132 0.020 0.132 19041 45 1 8 "Average Difference" C 32 1.508 1.182 0.951 19041 46 1 8 "Average Difference" CA 34 1.048 0.597 0.874 19041 47 1 8 "Average Difference" CB 32 0.606 0.382 0.478 19041 48 1 8 "Average Difference" HN 35 0.470 -0.273 0.389 19041 49 1 9 "Average Difference" N 35 1.657 0.444 1.620 19041 50 1 9 "Average Difference" HA 37 0.138 0.004 0.140 19041 51 1 9 "Average Difference" C 32 1.413 1.108 0.891 19041 52 1 9 "Average Difference" CA 34 1.076 0.605 0.903 19041 53 1 9 "Average Difference" CB 32 0.622 0.399 0.485 19041 54 1 9 "Average Difference" HN 35 0.479 -0.263 0.406 19041 55 1 10 "Average Difference" N 35 1.523 0.485 1.465 19041 56 1 10 "Average Difference" HA 37 0.157 -0.001 0.159 19041 57 1 10 "Average Difference" C 32 1.494 1.177 0.934 19041 58 1 10 "Average Difference" CA 34 1.212 0.750 0.966 19041 59 1 10 "Average Difference" CB 32 0.601 0.348 0.497 19041 60 1 10 "Average Difference" HN 35 0.477 -0.262 0.404 19041 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 19041 _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 2 121.643 121.643 120.342 1.301 19041 2 1 . 1 1 2 2 LYS HA H 2 4.580 4.580 4.276 0.304 19041 3 1 . 1 1 2 2 LYS C C 2 176.249 176.249 177.868 -1.619 19041 4 1 . 1 1 2 2 LYS CA C 2 57.181 57.181 58.286 -1.105 19041 5 1 . 1 1 2 2 LYS CB C 2 32.121 32.121 32.774 -0.653 19041 6 1 . 1 1 2 2 LYS H H 2 8.371 8.371 8.345 0.026 19041 7 1 . 1 1 3 3 THR N N 3 113.909 113.909 114.439 -0.530 19041 8 1 . 1 1 3 3 THR HA H 3 4.165 4.165 4.006 0.159 19041 9 1 . 1 1 3 3 THR C C 3 174.259 174.259 176.471 -2.212 19041 10 1 . 1 1 3 3 THR CA C 3 63.240 63.240 65.787 -2.547 19041 11 1 . 1 1 3 3 THR CB C 3 68.478 68.478 68.237 0.241 19041 12 1 . 1 1 3 3 THR H H 3 8.062 8.062 8.266 -0.204 19041 13 1 . 1 1 4 4 ASN N N 4 120.010 120.010 119.645 0.365 19041 14 1 . 1 1 4 4 ASN HA H 4 4.613 4.613 4.469 0.144 19041 15 1 . 1 1 4 4 ASN C C 4 175.727 175.727 177.852 -2.125 19041 16 1 . 1 1 4 4 ASN CA C 4 54.172 54.172 56.077 -1.905 19041 17 1 . 1 1 4 4 ASN CB C 4 37.630 37.630 37.763 -0.133 19041 18 1 . 1 1 4 4 ASN H H 4 8.094 8.094 8.672 -0.578 19041 19 1 . 1 1 5 5 LEU N N 5 121.143 121.143 121.013 0.130 19041 20 1 . 1 1 5 5 LEU HA H 5 4.066 4.066 4.021 0.045 19041 21 1 . 1 1 5 5 LEU C C 5 177.205 177.205 178.490 -1.285 19041 22 1 . 1 1 5 5 LEU CA C 5 57.390 57.390 57.934 -0.544 19041 23 1 . 1 1 5 5 LEU CB C 5 41.393 41.393 41.777 -0.384 19041 24 1 . 1 1 5 5 LEU H H 5 8.143 8.143 7.373 0.770 19041 25 1 . 1 1 6 6 GLU N N 6 116.843 116.843 119.731 -2.888 19041 26 1 . 1 1 6 6 GLU HA H 6 3.816 3.816 3.945 -0.129 19041 27 1 . 1 1 6 6 GLU C C 6 177.020 177.020 179.451 -2.431 19041 28 1 . 1 1 6 6 GLU CA C 6 59.733 59.733 59.489 0.244 19041 29 1 . 1 1 6 6 GLU CB C 6 27.879 27.879 29.095 -1.217 19041 30 1 . 1 1 6 6 GLU H H 6 8.425 8.425 8.159 0.266 19041 31 1 . 1 1 7 7 ILE N N 7 117.010 117.010 120.058 -3.048 19041 32 1 . 1 1 7 7 ILE HA H 7 3.756 3.756 3.733 0.023 19041 33 1 . 1 1 7 7 ILE C C 7 176.466 176.466 177.952 -1.487 19041 34 1 . 1 1 7 7 ILE CA C 7 64.113 64.113 65.274 -1.161 19041 35 1 . 1 1 7 7 ILE CB C 7 36.990 36.990 37.879 -0.888 19041 36 1 . 1 1 7 7 ILE H H 7 7.718 7.718 7.962 -0.244 19041 37 1 . 1 1 8 8 ILE N N 8 119.491 119.491 120.256 -0.765 19041 38 1 . 1 1 8 8 ILE HA H 8 3.629 3.629 3.532 0.097 19041 39 1 . 1 1 8 8 ILE C C 8 177.097 177.097 178.050 -0.953 19041 40 1 . 1 1 8 8 ILE CA C 8 64.963 64.963 65.843 -0.880 19041 41 1 . 1 1 8 8 ILE CB C 8 37.007 37.007 37.738 -0.731 19041 42 1 . 1 1 8 8 ILE H H 8 7.796 7.796 7.549 0.247 19041 43 1 . 1 1 9 9 ILE N N 9 118.434 118.434 119.531 -1.097 19041 44 1 . 1 1 9 9 ILE HA H 9 3.717 3.717 3.597 0.120 19041 45 1 . 1 1 9 9 ILE C C 9 178.010 178.010 178.090 -0.080 19041 46 1 . 1 1 9 9 ILE CA C 9 64.576 64.576 65.320 -0.744 19041 47 1 . 1 1 9 9 ILE CB C 9 36.919 36.919 37.203 -0.284 19041 48 1 . 1 1 9 9 ILE H H 9 8.242 8.242 8.395 -0.153 19041 49 1 . 1 1 10 10 LEU N N 10 122.496 122.496 120.878 1.618 19041 50 1 . 1 1 10 10 LEU HA H 10 4.082 4.082 4.020 0.062 19041 51 1 . 1 1 10 10 LEU C C 10 177.455 177.455 179.943 -2.488 19041 52 1 . 1 1 10 10 LEU CA C 10 58.429 58.429 58.352 0.076 19041 53 1 . 1 1 10 10 LEU CB C 10 41.515 41.515 40.768 0.747 19041 54 1 . 1 1 10 10 LEU H H 10 8.199 8.199 7.799 0.400 19041 55 1 . 1 1 11 11 VAL N N 11 117.697 117.697 118.470 -0.773 19041 56 1 . 1 1 11 11 VAL HA H 11 3.558 3.558 3.626 -0.068 19041 57 1 . 1 1 11 11 VAL C C 11 177.140 177.140 178.282 -1.142 19041 58 1 . 1 1 11 11 VAL CA C 11 66.286 66.286 66.955 -0.669 19041 59 1 . 1 1 11 11 VAL CB C 11 30.916 30.916 30.989 -0.073 19041 60 1 . 1 1 11 11 VAL H H 11 8.620 8.620 8.065 0.555 19041 61 1 . 1 1 12 12 GLY N N 12 106.308 106.308 106.056 0.253 19041 62 1 . 1 1 12 12 GLY C C 12 178.053 178.053 176.001 2.052 19041 63 1 . 1 1 12 12 GLY CA C 12 46.975 46.975 47.627 -0.652 19041 64 1 . 1 1 12 12 GLY H H 12 8.822 8.822 8.178 0.644 19041 65 1 . 1 1 13 13 THR N N 13 114.187 114.187 116.700 -2.513 19041 66 1 . 1 1 13 13 THR HA H 13 3.838 3.838 4.032 -0.194 19041 67 1 . 1 1 13 13 THR C C 13 175.194 175.194 176.543 -1.349 19041 68 1 . 1 1 13 13 THR CA C 13 66.851 66.851 66.035 0.816 19041 69 1 . 1 1 13 13 THR CB C 13 68.420 68.420 68.606 -0.186 19041 70 1 . 1 1 13 13 THR H H 13 8.290 8.290 8.302 -0.012 19041 71 1 . 1 1 14 14 ALA N N 14 124.415 124.415 124.652 -0.237 19041 72 1 . 1 1 14 14 ALA HA H 14 3.726 3.726 4.092 -0.366 19041 73 1 . 1 1 14 14 ALA C C 14 178.216 178.216 179.593 -1.377 19041 74 1 . 1 1 14 14 ALA CA C 14 54.963 54.963 55.104 -0.141 19041 75 1 . 1 1 14 14 ALA CB C 14 17.180 17.180 18.174 -0.994 19041 76 1 . 1 1 14 14 ALA H H 14 7.831 7.831 8.382 -0.551 19041 77 1 . 1 1 15 15 VAL N N 15 116.690 116.690 119.481 -2.791 19041 78 1 . 1 1 15 15 VAL HA H 15 3.525 3.525 3.652 -0.127 19041 79 1 . 1 1 15 15 VAL CA C 15 66.460 66.460 66.590 -0.130 19041 80 1 . 1 1 15 15 VAL CB C 15 30.720 30.720 31.504 -0.784 19041 81 1 . 1 1 15 15 VAL H H 15 8.128 8.128 7.720 0.408 19041 82 1 . 1 1 16 16 ILE N N 16 118.922 118.922 119.555 -0.633 19041 83 1 . 1 1 16 16 ILE HA H 16 3.646 3.646 3.624 0.022 19041 84 1 . 1 1 16 16 ILE C C 16 176.857 176.857 178.004 -1.147 19041 85 1 . 1 1 16 16 ILE CA C 16 64.779 64.779 63.580 1.199 19041 86 1 . 1 1 16 16 ILE CB C 16 36.712 36.712 36.295 0.417 19041 87 1 . 1 1 16 16 ILE H H 16 7.948 7.948 7.760 0.188 19041 88 1 . 1 1 17 17 ALA N N 17 121.524 121.524 122.736 -1.211 19041 89 1 . 1 1 17 17 ALA HA H 17 3.938 3.938 4.231 -0.293 19041 90 1 . 1 1 17 17 ALA C C 17 178.412 178.412 179.893 -1.481 19041 91 1 . 1 1 17 17 ALA CA C 17 55.117 55.117 55.322 -0.205 19041 92 1 . 1 1 17 17 ALA CB C 17 17.678 17.678 18.233 -0.555 19041 93 1 . 1 1 17 17 ALA H H 17 8.407 8.407 8.020 0.387 19041 94 1 . 1 1 18 18 MET N N 18 116.280 116.280 118.475 -2.195 19041 95 1 . 1 1 18 18 MET HA H 18 4.197 4.197 4.193 0.004 19041 96 1 . 1 1 18 18 MET C C 18 177.347 177.347 178.321 -0.974 19041 97 1 . 1 1 18 18 MET CA C 18 58.791 58.791 58.490 0.301 19041 98 1 . 1 1 18 18 MET CB C 18 32.163 32.163 32.345 -0.182 19041 99 1 . 1 1 18 18 MET H H 18 8.322 8.322 7.796 0.526 19041 100 1 . 1 1 19 19 PHE N N 19 118.720 118.720 120.311 -1.591 19041 101 1 . 1 1 19 19 PHE HA H 19 4.201 4.201 4.119 0.082 19041 102 1 . 1 1 19 19 PHE C C 19 176.162 176.162 177.513 -1.351 19041 103 1 . 1 1 19 19 PHE CA C 19 60.912 60.912 61.927 -1.015 19041 104 1 . 1 1 19 19 PHE CB C 19 38.239 38.239 38.625 -0.386 19041 105 1 . 1 1 19 19 PHE H H 19 8.402 8.402 8.032 0.370 19041 106 1 . 1 1 20 20 PHE N N 20 118.374 118.374 118.231 0.143 19041 107 1 . 1 1 20 20 PHE HA H 20 4.019 4.019 4.203 -0.184 19041 108 1 . 1 1 20 20 PHE CA C 20 61.436 61.436 61.929 -0.493 19041 109 1 . 1 1 20 20 PHE CB C 20 38.341 38.341 38.462 -0.122 19041 110 1 . 1 1 20 20 PHE H H 20 8.542 8.542 8.068 0.474 19041 111 1 . 1 1 21 21 TRP N N 21 119.404 119.404 120.662 -1.258 19041 112 1 . 1 1 21 21 TRP HA H 21 4.301 4.301 4.277 0.024 19041 113 1 . 1 1 21 21 TRP H H 21 8.530 8.530 8.240 0.290 19041 114 1 . 1 1 22 22 LEU N N 22 118.425 118.425 119.272 -0.847 19041 115 1 . 1 1 22 22 LEU HA H 22 3.810 3.810 3.849 -0.039 19041 116 1 . 1 1 22 22 LEU C C 22 177.770 177.770 178.964 -1.194 19041 117 1 . 1 1 22 22 LEU CA C 22 57.546 57.546 58.117 -0.571 19041 118 1 . 1 1 22 22 LEU CB C 22 41.091 41.091 41.748 -0.657 19041 119 1 . 1 1 22 22 LEU H H 22 8.275 8.275 7.951 0.324 19041 120 1 . 1 1 23 23 LEU N N 23 118.342 118.342 120.201 -1.859 19041 121 1 . 1 1 23 23 LEU HA H 23 3.803 3.803 4.025 -0.223 19041 122 1 . 1 1 23 23 LEU C C 23 177.738 177.738 178.695 -0.957 19041 123 1 . 1 1 23 23 LEU CA C 23 57.717 57.717 58.284 -0.567 19041 124 1 . 1 1 23 23 LEU CB C 23 40.810 40.810 41.928 -1.118 19041 125 1 . 1 1 23 23 LEU H H 23 8.158 8.158 8.646 -0.488 19041 126 1 . 1 1 24 24 LEU N N 24 118.660 118.660 119.621 -0.961 19041 127 1 . 1 1 24 24 LEU HA H 24 3.785 3.785 3.996 -0.211 19041 128 1 . 1 1 24 24 LEU C C 24 178.031 178.031 178.540 -0.509 19041 129 1 . 1 1 24 24 LEU CA C 24 57.851 57.851 58.140 -0.289 19041 130 1 . 1 1 24 24 LEU CB C 24 40.703 40.703 41.697 -0.994 19041 131 1 . 1 1 24 24 LEU H H 24 8.060 8.060 8.220 -0.160 19041 132 1 . 1 1 25 25 VAL N N 25 118.249 118.249 119.550 -1.301 19041 133 1 . 1 1 25 25 VAL HA H 25 3.454 3.454 3.421 0.033 19041 134 1 . 1 1 25 25 VAL C C 25 177.314 177.314 178.104 -0.790 19041 135 1 . 1 1 25 25 VAL CA C 25 66.805 66.805 66.959 -0.154 19041 136 1 . 1 1 25 25 VAL CB C 25 30.758 30.758 31.318 -0.560 19041 137 1 . 1 1 25 25 VAL H H 25 8.145 8.145 7.473 0.672 19041 138 1 . 1 1 26 26 ILE N N 26 119.609 119.609 119.681 -0.072 19041 139 1 . 1 1 26 26 ILE HA H 26 3.589 3.589 3.551 0.039 19041 140 1 . 1 1 26 26 ILE C C 26 179.140 179.140 178.035 1.105 19041 141 1 . 1 1 26 26 ILE CA C 26 65.005 65.005 65.513 -0.508 19041 142 1 . 1 1 26 26 ILE CB C 26 36.875 36.875 37.604 -0.729 19041 143 1 . 1 1 26 26 ILE H H 26 8.305 8.305 7.653 0.652 19041 144 1 . 1 1 27 27 ILE N N 27 123.241 123.241 119.871 3.370 19041 145 1 . 1 1 27 27 ILE HA H 27 3.568 3.568 3.620 -0.052 19041 146 1 . 1 1 27 27 ILE C C 27 177.292 177.292 178.051 -0.759 19041 147 1 . 1 1 27 27 ILE CA C 27 65.551 65.551 65.690 -0.139 19041 148 1 . 1 1 27 27 ILE CB C 27 36.941 36.941 37.794 -0.853 19041 149 1 . 1 1 27 27 ILE H H 27 8.780 8.780 7.727 1.053 19041 150 1 . 1 1 28 28 LEU N N 28 120.378 120.378 118.950 1.428 19041 151 1 . 1 1 28 28 LEU HA H 28 3.983 3.983 3.935 0.048 19041 152 1 . 1 1 28 28 LEU C C 28 178.412 178.412 179.197 -0.785 19041 153 1 . 1 1 28 28 LEU CA C 28 57.916 57.916 57.770 0.146 19041 154 1 . 1 1 28 28 LEU CB C 28 40.862 40.862 41.100 -0.238 19041 155 1 . 1 1 28 28 LEU H H 28 8.748 8.748 7.964 0.784 19041 156 1 . 1 1 29 29 ARG N N 29 117.043 117.043 119.744 -2.701 19041 157 1 . 1 1 29 29 ARG HA H 29 3.990 3.990 4.027 -0.037 19041 158 1 . 1 1 29 29 ARG C C 29 177.684 177.684 178.843 -1.159 19041 159 1 . 1 1 29 29 ARG CA C 29 58.370 58.370 59.946 -1.576 19041 160 1 . 1 1 29 29 ARG CB C 29 29.534 29.534 30.048 -0.514 19041 161 1 . 1 1 29 29 ARG H H 29 8.479 8.479 8.112 0.367 19041 162 1 . 1 1 30 30 THR N N 30 115.547 115.547 115.630 -0.083 19041 163 1 . 1 1 30 30 THR HA H 30 4.016 4.016 4.076 -0.060 19041 164 1 . 1 1 30 30 THR C C 30 175.727 175.727 176.773 -1.046 19041 165 1 . 1 1 30 30 THR CA C 30 65.740 65.740 66.624 -0.884 19041 166 1 . 1 1 30 30 THR CB C 30 68.362 68.362 68.644 -0.282 19041 167 1 . 1 1 30 30 THR H H 30 7.973 7.973 7.852 0.121 19041 168 1 . 1 1 31 31 VAL N N 31 120.909 120.909 120.678 0.231 19041 169 1 . 1 1 31 31 VAL HA H 31 3.805 3.805 3.716 0.089 19041 170 1 . 1 1 31 31 VAL C C 31 176.694 176.694 177.324 -0.630 19041 171 1 . 1 1 31 31 VAL CA C 31 64.874 64.874 66.275 -1.401 19041 172 1 . 1 1 31 31 VAL CB C 31 31.135 31.135 31.491 -0.356 19041 173 1 . 1 1 31 31 VAL H H 31 8.344 8.344 7.785 0.559 19041 174 1 . 1 1 32 32 LYS N N 32 120.269 120.269 119.489 0.780 19041 175 1 . 1 1 32 32 LYS HA H 32 4.182 4.182 4.069 0.113 19041 176 1 . 1 1 32 32 LYS C C 32 177.183 177.183 179.031 -1.847 19041 177 1 . 1 1 32 32 LYS CA C 32 57.422 57.422 58.879 -1.457 19041 178 1 . 1 1 32 32 LYS CB C 32 31.853 31.853 32.161 -0.308 19041 179 1 . 1 1 32 32 LYS H H 32 8.082 8.082 7.911 0.171 19041 180 1 . 1 1 33 33 ARG N N 33 119.458 119.458 118.850 0.608 19041 181 1 . 1 1 33 33 ARG HA H 33 4.218 4.218 4.174 0.044 19041 182 1 . 1 1 33 33 ARG C C 33 176.879 176.879 178.260 -1.381 19041 183 1 . 1 1 33 33 ARG CA C 33 56.788 56.788 58.393 -1.605 19041 184 1 . 1 1 33 33 ARG CB C 33 29.932 29.932 29.955 -0.023 19041 185 1 . 1 1 33 33 ARG H H 33 7.885 7.885 7.777 0.108 19041 186 1 . 1 1 34 34 ALA N N 34 123.244 123.244 121.526 1.718 19041 187 1 . 1 1 34 34 ALA HA H 34 4.279 4.279 4.155 0.124 19041 188 1 . 1 1 34 34 ALA C C 34 177.162 177.162 179.386 -2.224 19041 189 1 . 1 1 34 34 ALA CA C 34 52.702 52.702 54.604 -1.902 19041 190 1 . 1 1 34 34 ALA CB C 34 18.259 18.259 18.246 0.013 19041 191 1 . 1 1 34 34 ALA H H 34 8.106 8.106 7.669 0.437 19041 192 1 . 1 1 35 35 ASN N N 35 116.546 116.546 116.999 -0.453 19041 193 1 . 1 1 35 35 ASN HA H 35 4.725 4.725 4.535 0.190 19041 194 1 . 1 1 35 35 ASN C C 35 174.912 174.912 176.788 -1.876 19041 195 1 . 1 1 35 35 ASN CA C 35 52.843 52.843 54.963 -2.120 19041 196 1 . 1 1 35 35 ASN CB C 35 38.810 38.810 38.817 -0.007 19041 197 1 . 1 1 35 35 ASN H H 35 8.057 8.057 7.862 0.195 19041 198 1 . 1 1 36 36 GLY N N 36 108.684 108.684 106.923 1.761 19041 199 1 . 1 1 36 36 GLY C C 36 173.118 173.118 174.187 -1.069 19041 200 1 . 1 1 36 36 GLY CA C 36 45.077 45.077 44.966 0.111 19041 201 1 . 1 1 36 36 GLY H H 36 8.075 8.075 7.590 0.485 19041 stop_ save_