data_25582 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25582 _Entry.PDB_ID 2N21 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 25582 _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 3 3 HIS HA H 3 4.409 4.409 4.666 -0.257 25582 2 1 1 . 1 1 3 3 HIS CA C 3 53.098 53.098 51.783 1.315 25582 3 1 1 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.005 -0.138 25582 4 1 1 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.820 0.152 25582 5 1 1 . 1 1 4 4 PRO CA C 4 60.186 60.186 63.422 -3.236 25582 6 1 1 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.760 -2.219 25582 7 1 1 . 1 1 5 5 GLY N N 5 107.940 107.940 106.018 1.922 25582 8 1 1 . 1 1 5 5 GLY C C 5 175.807 175.807 174.611 1.196 25582 9 1 1 . 1 1 5 5 GLY CA C 5 43.979 43.979 46.251 -2.272 25582 10 1 1 . 1 1 5 5 GLY H H 5 8.315 8.315 8.270 0.045 25582 11 1 1 . 1 1 6 6 HIS N N 6 114.183 114.183 118.919 -4.736 25582 12 1 1 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.459 0.052 25582 13 1 1 . 1 1 6 6 HIS C C 6 171.192 171.192 175.209 -4.017 25582 14 1 1 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.918 -2.514 25582 15 1 1 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.656 -2.364 25582 16 1 1 . 1 1 6 6 HIS H H 6 7.457 7.457 6.948 0.509 25582 17 1 1 . 1 1 7 7 LEU N N 7 121.536 121.536 120.920 0.616 25582 18 1 1 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.220 -0.317 25582 19 1 1 . 1 1 7 7 LEU C C 7 172.872 172.872 176.529 -3.657 25582 20 1 1 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.021 -2.360 25582 21 1 1 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.701 -2.893 25582 22 1 1 . 1 1 7 7 LEU H H 7 6.540 6.540 7.409 -0.869 25582 23 1 1 . 1 1 8 8 LYS N N 8 119.261 119.261 123.545 -4.284 25582 24 1 1 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.525 -0.017 25582 25 1 1 . 1 1 8 8 LYS C C 8 172.587 172.587 176.094 -3.507 25582 26 1 1 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.388 -4.136 25582 27 1 1 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.321 -0.946 25582 28 1 1 . 1 1 8 8 LYS H H 8 8.492 8.492 8.326 0.166 25582 29 1 1 . 1 1 9 9 GLY N N 9 112.295 112.295 114.103 -1.808 25582 30 1 1 . 1 1 9 9 GLY C C 9 174.090 174.090 174.895 -0.805 25582 31 1 1 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.504 -0.680 25582 32 1 1 . 1 1 9 9 GLY H H 9 8.694 8.694 8.072 0.622 25582 33 1 1 . 1 1 10 10 ARG N N 10 126.817 126.817 120.813 6.004 25582 34 1 1 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.919 -0.883 25582 35 1 1 . 1 1 10 10 ARG C C 10 171.915 171.915 178.140 -6.225 25582 36 1 1 . 1 1 10 10 ARG CA C 10 55.701 55.701 59.037 -3.336 25582 37 1 1 . 1 1 10 10 ARG CB C 10 26.571 26.571 29.989 -3.418 25582 38 1 1 . 1 1 10 10 ARG H H 10 8.798 8.798 8.757 0.041 25582 39 1 1 . 1 1 11 11 GLU N N 11 113.440 113.440 119.586 -6.146 25582 40 1 1 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.122 -0.482 25582 41 1 1 . 1 1 11 11 GLU C C 11 173.276 173.276 178.480 -5.204 25582 42 1 1 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.008 -3.579 25582 43 1 1 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.264 -1.499 25582 44 1 1 . 1 1 11 11 GLU H H 11 7.453 7.453 8.021 -0.568 25582 45 1 1 . 1 1 12 12 ILE N N 12 118.236 118.236 118.873 -0.637 25582 46 1 1 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.160 -1.291 25582 47 1 1 . 1 1 12 12 ILE C C 12 176.838 176.838 177.403 -0.565 25582 48 1 1 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.932 -0.328 25582 49 1 1 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.538 -3.735 25582 50 1 1 . 1 1 12 12 ILE H H 12 7.499 7.499 8.232 -0.733 25582 51 1 1 . 1 1 13 13 GLY N N 13 104.389 104.389 108.206 -3.817 25582 52 1 1 . 1 1 13 13 GLY C C 13 174.111 174.111 176.156 -2.045 25582 53 1 1 . 1 1 13 13 GLY CA C 13 45.606 45.606 47.283 -1.677 25582 54 1 1 . 1 1 13 13 GLY H H 13 6.135 6.135 7.687 -1.552 25582 55 1 1 . 1 1 14 14 MET N N 14 114.865 114.865 116.566 -1.701 25582 56 1 1 . 1 1 14 14 MET HA H 14 3.952 3.952 4.723 -0.771 25582 57 1 1 . 1 1 14 14 MET CA C 14 53.002 53.002 53.832 -0.830 25582 58 1 1 . 1 1 14 14 MET CB C 14 30.242 30.242 31.741 -1.499 25582 59 1 1 . 1 1 14 14 MET H H 14 7.977 7.977 8.460 -0.483 25582 60 1 1 . 1 1 15 15 TRP N N 15 122.784 122.784 122.859 -0.075 25582 61 1 1 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.490 -0.765 25582 62 1 1 . 1 1 15 15 TRP C C 15 175.377 175.377 176.911 -1.534 25582 63 1 1 . 1 1 15 15 TRP CA C 15 59.311 59.311 59.575 -0.264 25582 64 1 1 . 1 1 15 15 TRP CB C 15 25.410 25.410 31.328 -5.918 25582 65 1 1 . 1 1 15 15 TRP H H 15 7.489 7.489 7.803 -0.314 25582 66 1 1 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.877 -0.104 25582 67 1 1 . 1 1 17 17 ALA CA C 17 51.092 51.092 53.879 -2.787 25582 68 1 1 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.563 -3.480 25582 69 1 1 . 1 1 18 18 LYS N N 18 115.668 115.668 115.561 0.107 25582 70 1 1 . 1 1 18 18 LYS HA H 18 4.002 4.002 4.039 -0.037 25582 71 1 1 . 1 1 18 18 LYS C C 18 175.108 175.108 176.181 -1.073 25582 72 1 1 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.503 -3.508 25582 73 1 1 . 1 1 18 18 LYS CB C 18 28.686 28.686 31.021 -2.335 25582 74 1 1 . 1 1 18 18 LYS H H 18 7.246 7.246 7.921 -0.675 25582 75 1 1 . 1 1 19 19 LYS N N 19 121.064 121.064 116.972 4.092 25582 76 1 1 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.454 0.404 25582 77 1 1 . 1 1 19 19 LYS C C 19 172.881 172.881 175.326 -2.445 25582 78 1 1 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.196 -4.871 25582 79 1 1 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.369 -2.131 25582 80 1 1 . 1 1 19 19 LYS H H 19 7.841 7.841 7.637 0.204 25582 81 1 2 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.048 0.361 25582 82 1 2 . 1 1 3 3 HIS CA C 3 53.098 53.098 55.765 -2.667 25582 83 1 2 . 1 1 3 3 HIS CB C 3 28.867 28.867 27.962 0.905 25582 84 1 2 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.929 0.043 25582 85 1 2 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.149 -3.963 25582 86 1 2 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.856 -2.315 25582 87 1 2 . 1 1 5 5 GLY N N 5 107.940 107.940 103.916 4.024 25582 88 1 2 . 1 1 5 5 GLY C C 5 175.807 175.807 174.532 1.275 25582 89 1 2 . 1 1 5 5 GLY CA C 5 43.979 43.979 46.367 -2.388 25582 90 1 2 . 1 1 5 5 GLY H H 5 8.315 8.315 8.428 -0.113 25582 91 1 2 . 1 1 6 6 HIS N N 6 114.183 114.183 118.250 -4.067 25582 92 1 2 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.664 -0.153 25582 93 1 2 . 1 1 6 6 HIS C C 6 171.192 171.192 175.514 -4.322 25582 94 1 2 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.271 -1.867 25582 95 1 2 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.868 -2.576 25582 96 1 2 . 1 1 6 6 HIS H H 6 7.457 7.457 7.200 0.257 25582 97 1 2 . 1 1 7 7 LEU N N 7 121.536 121.536 121.457 0.079 25582 98 1 2 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.507 -0.604 25582 99 1 2 . 1 1 7 7 LEU C C 7 172.872 172.872 176.673 -3.801 25582 100 1 2 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.169 -2.508 25582 101 1 2 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.781 -2.973 25582 102 1 2 . 1 1 7 7 LEU H H 7 6.540 6.540 7.512 -0.972 25582 103 1 2 . 1 1 8 8 LYS N N 8 119.261 119.261 121.300 -2.039 25582 104 1 2 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.450 0.057 25582 105 1 2 . 1 1 8 8 LYS C C 8 172.587 172.587 176.191 -3.604 25582 106 1 2 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.485 -4.233 25582 107 1 2 . 1 1 8 8 LYS CB C 8 33.375 33.375 33.763 -0.388 25582 108 1 2 . 1 1 8 8 LYS H H 8 8.492 8.492 8.297 0.195 25582 109 1 2 . 1 1 9 9 GLY N N 9 112.295 112.295 113.019 -0.724 25582 110 1 2 . 1 1 9 9 GLY C C 9 174.090 174.090 175.158 -1.068 25582 111 1 2 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.434 -0.610 25582 112 1 2 . 1 1 9 9 GLY H H 9 8.694 8.694 8.292 0.402 25582 113 1 2 . 1 1 10 10 ARG N N 10 126.817 126.817 120.712 6.105 25582 114 1 2 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.839 -0.803 25582 115 1 2 . 1 1 10 10 ARG C C 10 171.915 171.915 177.922 -6.007 25582 116 1 2 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.988 -3.287 25582 117 1 2 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.154 -3.583 25582 118 1 2 . 1 1 10 10 ARG H H 10 8.798 8.798 8.688 0.110 25582 119 1 2 . 1 1 11 11 GLU N N 11 113.440 113.440 119.155 -5.715 25582 120 1 2 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.139 -0.499 25582 121 1 2 . 1 1 11 11 GLU C C 11 173.276 173.276 179.187 -5.911 25582 122 1 2 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.396 -3.967 25582 123 1 2 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.162 -1.397 25582 124 1 2 . 1 1 11 11 GLU H H 11 7.453 7.453 8.099 -0.646 25582 125 1 2 . 1 1 12 12 ILE N N 12 118.236 118.236 118.232 0.004 25582 126 1 2 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.134 -1.265 25582 127 1 2 . 1 1 12 12 ILE C C 12 176.838 176.838 176.907 -0.069 25582 128 1 2 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.771 -0.167 25582 129 1 2 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.058 -3.255 25582 130 1 2 . 1 1 12 12 ILE H H 12 7.499 7.499 8.410 -0.911 25582 131 1 2 . 1 1 13 13 GLY N N 13 104.389 104.389 108.035 -3.646 25582 132 1 2 . 1 1 13 13 GLY C C 13 174.111 174.111 175.413 -1.302 25582 133 1 2 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.728 -1.122 25582 134 1 2 . 1 1 13 13 GLY H H 13 6.135 6.135 7.584 -1.449 25582 135 1 2 . 1 1 14 14 MET N N 14 114.865 114.865 117.574 -2.709 25582 136 1 2 . 1 1 14 14 MET HA H 14 3.952 3.952 4.749 -0.797 25582 137 1 2 . 1 1 14 14 MET CA C 14 53.002 53.002 54.744 -1.742 25582 138 1 2 . 1 1 14 14 MET CB C 14 30.242 30.242 33.102 -2.860 25582 139 1 2 . 1 1 14 14 MET H H 14 7.977 7.977 7.967 0.010 25582 140 1 2 . 1 1 15 15 TRP N N 15 122.784 122.784 120.707 2.077 25582 141 1 2 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.265 -0.540 25582 142 1 2 . 1 1 15 15 TRP C C 15 175.377 175.377 178.318 -2.941 25582 143 1 2 . 1 1 15 15 TRP CA C 15 59.311 59.311 61.748 -2.437 25582 144 1 2 . 1 1 15 15 TRP CB C 15 25.410 25.410 29.615 -4.205 25582 145 1 2 . 1 1 15 15 TRP H H 15 7.489 7.489 8.209 -0.720 25582 146 1 2 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.413 0.360 25582 147 1 2 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.373 -1.280 25582 148 1 2 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.307 -3.224 25582 149 1 2 . 1 1 18 18 LYS N N 18 115.668 115.668 119.722 -4.054 25582 150 1 2 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.935 0.067 25582 151 1 2 . 1 1 18 18 LYS C C 18 175.108 175.108 177.512 -2.404 25582 152 1 2 . 1 1 18 18 LYS CA C 18 52.995 52.995 58.122 -5.127 25582 153 1 2 . 1 1 18 18 LYS CB C 18 28.686 28.686 31.935 -3.249 25582 154 1 2 . 1 1 18 18 LYS H H 18 7.246 7.246 8.287 -1.041 25582 155 1 2 . 1 1 19 19 LYS N N 19 121.064 121.064 119.031 2.033 25582 156 1 2 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.999 -0.141 25582 157 1 2 . 1 1 19 19 LYS C C 19 172.881 172.881 176.843 -3.962 25582 158 1 2 . 1 1 19 19 LYS CA C 19 53.325 53.325 57.651 -4.326 25582 159 1 2 . 1 1 19 19 LYS CB C 19 29.238 29.238 32.588 -3.350 25582 160 1 2 . 1 1 19 19 LYS H H 19 7.841 7.841 7.805 0.036 25582 161 1 3 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.735 -0.326 25582 162 1 3 . 1 1 3 3 HIS CA C 3 53.098 53.098 54.101 -1.003 25582 163 1 3 . 1 1 3 3 HIS CB C 3 28.867 28.867 28.080 0.787 25582 164 1 3 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.845 0.127 25582 165 1 3 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.042 -3.856 25582 166 1 3 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.897 -2.356 25582 167 1 3 . 1 1 5 5 GLY N N 5 107.940 107.940 106.950 0.990 25582 168 1 3 . 1 1 5 5 GLY C C 5 175.807 175.807 174.311 1.496 25582 169 1 3 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.021 -1.042 25582 170 1 3 . 1 1 5 5 GLY H H 5 8.315 8.315 8.780 -0.465 25582 171 1 3 . 1 1 6 6 HIS N N 6 114.183 114.183 118.680 -4.497 25582 172 1 3 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.770 -0.259 25582 173 1 3 . 1 1 6 6 HIS C C 6 171.192 171.192 174.797 -3.605 25582 174 1 3 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.053 -1.649 25582 175 1 3 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.890 -2.598 25582 176 1 3 . 1 1 6 6 HIS H H 6 7.457 7.457 8.016 -0.559 25582 177 1 3 . 1 1 7 7 LEU N N 7 121.536 121.536 121.359 0.177 25582 178 1 3 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.347 -0.444 25582 179 1 3 . 1 1 7 7 LEU C C 7 172.872 172.872 176.526 -3.654 25582 180 1 3 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.443 -2.782 25582 181 1 3 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.232 -3.424 25582 182 1 3 . 1 1 7 7 LEU H H 7 6.540 6.540 7.585 -1.045 25582 183 1 3 . 1 1 8 8 LYS N N 8 119.261 119.261 119.597 -0.336 25582 184 1 3 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.419 0.089 25582 185 1 3 . 1 1 8 8 LYS C C 8 172.587 172.587 175.656 -3.069 25582 186 1 3 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.916 -4.664 25582 187 1 3 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.590 -1.215 25582 188 1 3 . 1 1 8 8 LYS H H 8 8.492 8.492 8.439 0.053 25582 189 1 3 . 1 1 9 9 GLY N N 9 112.295 112.295 114.044 -1.749 25582 190 1 3 . 1 1 9 9 GLY C C 9 174.090 174.090 174.856 -0.766 25582 191 1 3 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.657 -0.833 25582 192 1 3 . 1 1 9 9 GLY H H 9 8.694 8.694 8.301 0.393 25582 193 1 3 . 1 1 10 10 ARG N N 10 126.817 126.817 120.815 6.002 25582 194 1 3 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.988 -0.952 25582 195 1 3 . 1 1 10 10 ARG C C 10 171.915 171.915 178.232 -6.317 25582 196 1 3 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.431 -2.731 25582 197 1 3 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.012 -3.441 25582 198 1 3 . 1 1 10 10 ARG H H 10 8.798 8.798 8.736 0.062 25582 199 1 3 . 1 1 11 11 GLU N N 11 113.440 113.440 119.352 -5.912 25582 200 1 3 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.220 -0.580 25582 201 1 3 . 1 1 11 11 GLU C C 11 173.276 173.276 178.368 -5.092 25582 202 1 3 . 1 1 11 11 GLU CA C 11 55.429 55.429 58.941 -3.513 25582 203 1 3 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.336 -1.571 25582 204 1 3 . 1 1 11 11 GLU H H 11 7.453 7.453 7.914 -0.461 25582 205 1 3 . 1 1 12 12 ILE N N 12 118.236 118.236 118.618 -0.382 25582 206 1 3 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.199 -1.330 25582 207 1 3 . 1 1 12 12 ILE C C 12 176.838 176.838 177.241 -0.403 25582 208 1 3 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.606 -0.002 25582 209 1 3 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.556 -3.753 25582 210 1 3 . 1 1 12 12 ILE H H 12 7.499 7.499 8.179 -0.680 25582 211 1 3 . 1 1 13 13 GLY N N 13 104.389 104.389 108.159 -3.770 25582 212 1 3 . 1 1 13 13 GLY C C 13 174.111 174.111 175.502 -1.391 25582 213 1 3 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.658 -1.052 25582 214 1 3 . 1 1 13 13 GLY H H 13 6.135 6.135 7.646 -1.511 25582 215 1 3 . 1 1 14 14 MET N N 14 114.865 114.865 117.300 -2.435 25582 216 1 3 . 1 1 14 14 MET HA H 14 3.952 3.952 4.790 -0.838 25582 217 1 3 . 1 1 14 14 MET CA C 14 53.002 53.002 53.903 -0.901 25582 218 1 3 . 1 1 14 14 MET CB C 14 30.242 30.242 33.210 -2.968 25582 219 1 3 . 1 1 14 14 MET H H 14 7.977 7.977 7.977 -0.000 25582 220 1 3 . 1 1 15 15 TRP N N 15 122.784 122.784 122.020 0.764 25582 221 1 3 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.516 -0.791 25582 222 1 3 . 1 1 15 15 TRP C C 15 175.377 175.377 176.908 -1.531 25582 223 1 3 . 1 1 15 15 TRP CA C 15 59.311 59.311 58.596 0.716 25582 224 1 3 . 1 1 15 15 TRP CB C 15 25.410 25.410 31.738 -6.327 25582 225 1 3 . 1 1 15 15 TRP H H 15 7.489 7.489 7.639 -0.150 25582 226 1 3 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.894 -0.121 25582 227 1 3 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.922 -1.830 25582 228 1 3 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.776 -3.693 25582 229 1 3 . 1 1 18 18 LYS N N 18 115.668 115.668 122.833 -7.165 25582 230 1 3 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.639 0.363 25582 231 1 3 . 1 1 18 18 LYS C C 18 175.108 175.108 176.844 -1.736 25582 232 1 3 . 1 1 18 18 LYS CA C 18 52.995 52.995 57.144 -4.149 25582 233 1 3 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.492 -3.806 25582 234 1 3 . 1 1 18 18 LYS H H 18 7.246 7.246 8.149 -0.903 25582 235 1 3 . 1 1 19 19 LYS N N 19 121.064 121.064 116.428 4.636 25582 236 1 3 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.941 -0.083 25582 237 1 3 . 1 1 19 19 LYS C C 19 172.881 172.881 176.167 -3.286 25582 238 1 3 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.136 -4.811 25582 239 1 3 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.030 -1.792 25582 240 1 3 . 1 1 19 19 LYS H H 19 7.841 7.841 7.940 -0.099 25582 241 1 4 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.586 -0.177 25582 242 1 4 . 1 1 3 3 HIS CA C 3 53.098 53.098 53.259 -0.161 25582 243 1 4 . 1 1 3 3 HIS CB C 3 28.867 28.867 31.732 -2.865 25582 244 1 4 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.894 0.078 25582 245 1 4 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.245 -4.059 25582 246 1 4 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.686 -2.145 25582 247 1 4 . 1 1 5 5 GLY N N 5 107.940 107.940 108.280 -0.340 25582 248 1 4 . 1 1 5 5 GLY C C 5 175.807 175.807 174.858 0.949 25582 249 1 4 . 1 1 5 5 GLY CA C 5 43.979 43.979 46.051 -2.072 25582 250 1 4 . 1 1 5 5 GLY H H 5 8.315 8.315 8.685 -0.370 25582 251 1 4 . 1 1 6 6 HIS N N 6 114.183 114.183 117.458 -3.275 25582 252 1 4 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.569 -0.058 25582 253 1 4 . 1 1 6 6 HIS C C 6 171.192 171.192 174.810 -3.618 25582 254 1 4 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.970 -2.566 25582 255 1 4 . 1 1 6 6 HIS CB C 6 27.292 27.292 30.479 -3.187 25582 256 1 4 . 1 1 6 6 HIS H H 6 7.457 7.457 7.516 -0.059 25582 257 1 4 . 1 1 7 7 LEU N N 7 121.536 121.536 116.496 5.040 25582 258 1 4 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.820 -0.917 25582 259 1 4 . 1 1 7 7 LEU C C 7 172.872 172.872 175.028 -2.156 25582 260 1 4 . 1 1 7 7 LEU CA C 7 51.661 51.661 52.768 -1.107 25582 261 1 4 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.909 -4.101 25582 262 1 4 . 1 1 7 7 LEU H H 7 6.540 6.540 7.384 -0.844 25582 263 1 4 . 1 1 8 8 LYS N N 8 119.261 119.261 118.592 0.669 25582 264 1 4 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.634 -0.126 25582 265 1 4 . 1 1 8 8 LYS C C 8 172.587 172.587 176.766 -4.179 25582 266 1 4 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.392 -4.140 25582 267 1 4 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.699 -1.323 25582 268 1 4 . 1 1 8 8 LYS H H 8 8.492 8.492 8.543 -0.051 25582 269 1 4 . 1 1 9 9 GLY N N 9 112.295 112.295 108.803 3.492 25582 270 1 4 . 1 1 9 9 GLY C C 9 174.090 174.090 174.988 -0.898 25582 271 1 4 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.626 -0.802 25582 272 1 4 . 1 1 9 9 GLY H H 9 8.694 8.694 8.150 0.544 25582 273 1 4 . 1 1 10 10 ARG N N 10 126.817 126.817 120.901 5.916 25582 274 1 4 . 1 1 10 10 ARG HA H 10 3.036 3.036 4.010 -0.974 25582 275 1 4 . 1 1 10 10 ARG C C 10 171.915 171.915 177.925 -6.010 25582 276 1 4 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.246 -2.545 25582 277 1 4 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.154 -3.583 25582 278 1 4 . 1 1 10 10 ARG H H 10 8.798 8.798 8.669 0.129 25582 279 1 4 . 1 1 11 11 GLU N N 11 113.440 113.440 120.179 -6.739 25582 280 1 4 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.176 -0.536 25582 281 1 4 . 1 1 11 11 GLU C C 11 173.276 173.276 178.787 -5.511 25582 282 1 4 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.174 -3.745 25582 283 1 4 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.541 -1.776 25582 284 1 4 . 1 1 11 11 GLU H H 11 7.453 7.453 7.914 -0.461 25582 285 1 4 . 1 1 12 12 ILE N N 12 118.236 118.236 119.746 -1.510 25582 286 1 4 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.114 -1.245 25582 287 1 4 . 1 1 12 12 ILE C C 12 176.838 176.838 177.988 -1.150 25582 288 1 4 . 1 1 12 12 ILE CA C 12 62.604 62.604 63.535 -0.931 25582 289 1 4 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.062 -3.259 25582 290 1 4 . 1 1 12 12 ILE H H 12 7.499 7.499 7.631 -0.132 25582 291 1 4 . 1 1 13 13 GLY N N 13 104.389 104.389 108.670 -4.281 25582 292 1 4 . 1 1 13 13 GLY C C 13 174.111 174.111 175.412 -1.301 25582 293 1 4 . 1 1 13 13 GLY CA C 13 45.606 45.606 47.403 -1.796 25582 294 1 4 . 1 1 13 13 GLY H H 13 6.135 6.135 8.071 -1.936 25582 295 1 4 . 1 1 14 14 MET N N 14 114.865 114.865 116.580 -1.715 25582 296 1 4 . 1 1 14 14 MET HA H 14 3.952 3.952 4.739 -0.787 25582 297 1 4 . 1 1 14 14 MET CA C 14 53.002 53.002 55.416 -2.414 25582 298 1 4 . 1 1 14 14 MET CB C 14 30.242 30.242 34.095 -3.853 25582 299 1 4 . 1 1 14 14 MET H H 14 7.977 7.977 7.620 0.357 25582 300 1 4 . 1 1 15 15 TRP N N 15 122.784 122.784 120.900 1.884 25582 301 1 4 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.546 -0.821 25582 302 1 4 . 1 1 15 15 TRP C C 15 175.377 175.377 176.230 -0.853 25582 303 1 4 . 1 1 15 15 TRP CA C 15 59.311 59.311 59.497 -0.186 25582 304 1 4 . 1 1 15 15 TRP CB C 15 25.410 25.410 31.199 -5.789 25582 305 1 4 . 1 1 15 15 TRP H H 15 7.489 7.489 8.012 -0.523 25582 306 1 4 . 1 1 17 17 ALA HA H 17 3.773 3.773 4.209 -0.436 25582 307 1 4 . 1 1 17 17 ALA CA C 17 51.092 51.092 51.930 -0.838 25582 308 1 4 . 1 1 17 17 ALA CB C 17 15.083 15.083 17.217 -2.134 25582 309 1 4 . 1 1 18 18 LYS N N 18 115.668 115.668 120.680 -5.012 25582 310 1 4 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.934 0.068 25582 311 1 4 . 1 1 18 18 LYS C C 18 175.108 175.108 177.104 -1.996 25582 312 1 4 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.631 -3.636 25582 313 1 4 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.433 -3.747 25582 314 1 4 . 1 1 18 18 LYS H H 18 7.246 7.246 8.315 -1.069 25582 315 1 4 . 1 1 19 19 LYS N N 19 121.064 121.064 116.427 4.637 25582 316 1 4 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.841 0.017 25582 317 1 4 . 1 1 19 19 LYS C C 19 172.881 172.881 176.308 -3.427 25582 318 1 4 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.523 -5.198 25582 319 1 4 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.035 -1.797 25582 320 1 4 . 1 1 19 19 LYS H H 19 7.841 7.841 8.429 -0.588 25582 321 1 5 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.359 0.050 25582 322 1 5 . 1 1 3 3 HIS CA C 3 53.098 53.098 59.006 -5.908 25582 323 1 5 . 1 1 3 3 HIS CB C 3 28.867 28.867 28.475 0.392 25582 324 1 5 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.737 0.235 25582 325 1 5 . 1 1 4 4 PRO CA C 4 60.186 60.186 63.752 -3.566 25582 326 1 5 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.507 -1.966 25582 327 1 5 . 1 1 5 5 GLY N N 5 107.940 107.940 109.796 -1.856 25582 328 1 5 . 1 1 5 5 GLY C C 5 175.807 175.807 174.741 1.066 25582 329 1 5 . 1 1 5 5 GLY CA C 5 43.979 43.979 44.965 -0.986 25582 330 1 5 . 1 1 5 5 GLY H H 5 8.315 8.315 8.644 -0.329 25582 331 1 5 . 1 1 6 6 HIS N N 6 114.183 114.183 118.740 -4.557 25582 332 1 5 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.739 -0.228 25582 333 1 5 . 1 1 6 6 HIS C C 6 171.192 171.192 174.901 -3.709 25582 334 1 5 . 1 1 6 6 HIS CA C 6 53.404 53.404 54.953 -1.549 25582 335 1 5 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.838 -2.546 25582 336 1 5 . 1 1 6 6 HIS H H 6 7.457 7.457 7.331 0.126 25582 337 1 5 . 1 1 7 7 LEU N N 7 121.536 121.536 121.949 -0.413 25582 338 1 5 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.572 -0.669 25582 339 1 5 . 1 1 7 7 LEU C C 7 172.872 172.872 176.832 -3.960 25582 340 1 5 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.227 -2.566 25582 341 1 5 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.899 -3.091 25582 342 1 5 . 1 1 7 7 LEU H H 7 6.540 6.540 7.399 -0.859 25582 343 1 5 . 1 1 8 8 LYS N N 8 119.261 119.261 121.613 -2.352 25582 344 1 5 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.539 -0.031 25582 345 1 5 . 1 1 8 8 LYS C C 8 172.587 172.587 176.046 -3.459 25582 346 1 5 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.590 -4.338 25582 347 1 5 . 1 1 8 8 LYS CB C 8 33.375 33.375 33.785 -0.410 25582 348 1 5 . 1 1 8 8 LYS H H 8 8.492 8.492 8.309 0.183 25582 349 1 5 . 1 1 9 9 GLY N N 9 112.295 112.295 112.746 -0.451 25582 350 1 5 . 1 1 9 9 GLY C C 9 174.090 174.090 175.102 -1.012 25582 351 1 5 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.483 -0.659 25582 352 1 5 . 1 1 9 9 GLY H H 9 8.694 8.694 8.272 0.422 25582 353 1 5 . 1 1 10 10 ARG N N 10 126.817 126.817 120.500 6.317 25582 354 1 5 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.905 -0.869 25582 355 1 5 . 1 1 10 10 ARG C C 10 171.915 171.915 178.067 -6.152 25582 356 1 5 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.999 -3.298 25582 357 1 5 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.188 -3.617 25582 358 1 5 . 1 1 10 10 ARG H H 10 8.798 8.798 8.747 0.051 25582 359 1 5 . 1 1 11 11 GLU N N 11 113.440 113.440 119.174 -5.734 25582 360 1 5 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.111 -0.471 25582 361 1 5 . 1 1 11 11 GLU C C 11 173.276 173.276 179.354 -6.078 25582 362 1 5 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.289 -3.860 25582 363 1 5 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.394 -1.629 25582 364 1 5 . 1 1 11 11 GLU H H 11 7.453 7.453 8.142 -0.689 25582 365 1 5 . 1 1 12 12 ILE N N 12 118.236 118.236 118.668 -0.432 25582 366 1 5 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.207 -1.338 25582 367 1 5 . 1 1 12 12 ILE C C 12 176.838 176.838 177.435 -0.597 25582 368 1 5 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.982 -0.378 25582 369 1 5 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.271 -3.468 25582 370 1 5 . 1 1 12 12 ILE H H 12 7.499 7.499 8.705 -1.206 25582 371 1 5 . 1 1 13 13 GLY N N 13 104.389 104.389 108.080 -3.691 25582 372 1 5 . 1 1 13 13 GLY C C 13 174.111 174.111 175.157 -1.046 25582 373 1 5 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.924 -1.318 25582 374 1 5 . 1 1 13 13 GLY H H 13 6.135 6.135 7.706 -1.571 25582 375 1 5 . 1 1 14 14 MET N N 14 114.865 114.865 117.706 -2.841 25582 376 1 5 . 1 1 14 14 MET HA H 14 3.952 3.952 4.830 -0.878 25582 377 1 5 . 1 1 14 14 MET CA C 14 53.002 53.002 54.601 -1.599 25582 378 1 5 . 1 1 14 14 MET CB C 14 30.242 30.242 33.220 -2.978 25582 379 1 5 . 1 1 14 14 MET H H 14 7.977 7.977 8.086 -0.109 25582 380 1 5 . 1 1 15 15 TRP N N 15 122.784 122.784 122.723 0.061 25582 381 1 5 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.235 -0.510 25582 382 1 5 . 1 1 15 15 TRP C C 15 175.377 175.377 177.518 -2.141 25582 383 1 5 . 1 1 15 15 TRP CA C 15 59.311 59.311 61.203 -1.892 25582 384 1 5 . 1 1 15 15 TRP CB C 15 25.410 25.410 29.992 -4.582 25582 385 1 5 . 1 1 15 15 TRP H H 15 7.489 7.489 8.116 -0.627 25582 386 1 5 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.938 -0.165 25582 387 1 5 . 1 1 17 17 ALA CA C 17 51.092 51.092 53.227 -2.135 25582 388 1 5 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.808 -3.725 25582 389 1 5 . 1 1 18 18 LYS N N 18 115.668 115.668 120.946 -5.278 25582 390 1 5 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.919 0.083 25582 391 1 5 . 1 1 18 18 LYS C C 18 175.108 175.108 176.081 -0.973 25582 392 1 5 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.138 -3.143 25582 393 1 5 . 1 1 18 18 LYS CB C 18 28.686 28.686 31.527 -2.841 25582 394 1 5 . 1 1 18 18 LYS H H 18 7.246 7.246 7.808 -0.562 25582 395 1 5 . 1 1 19 19 LYS N N 19 121.064 121.064 115.880 5.184 25582 396 1 5 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.912 -0.054 25582 397 1 5 . 1 1 19 19 LYS C C 19 172.881 172.881 175.356 -2.475 25582 398 1 5 . 1 1 19 19 LYS CA C 19 53.325 53.325 57.236 -3.911 25582 399 1 5 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.010 -1.772 25582 400 1 5 . 1 1 19 19 LYS H H 19 7.841 7.841 7.841 0.000 25582 401 1 6 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.792 -0.383 25582 402 1 6 . 1 1 3 3 HIS CA C 3 53.098 53.098 52.550 0.548 25582 403 1 6 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.262 -0.394 25582 404 1 6 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.946 0.026 25582 405 1 6 . 1 1 4 4 PRO CA C 4 60.186 60.186 63.725 -3.539 25582 406 1 6 . 1 1 4 4 PRO CB C 4 29.541 29.541 32.025 -2.484 25582 407 1 6 . 1 1 5 5 GLY N N 5 107.940 107.940 106.766 1.174 25582 408 1 6 . 1 1 5 5 GLY C C 5 175.807 175.807 174.879 0.928 25582 409 1 6 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.322 -1.343 25582 410 1 6 . 1 1 5 5 GLY H H 5 8.315 8.315 8.684 -0.369 25582 411 1 6 . 1 1 6 6 HIS N N 6 114.183 114.183 119.890 -5.707 25582 412 1 6 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.774 -0.263 25582 413 1 6 . 1 1 6 6 HIS C C 6 171.192 171.192 175.580 -4.388 25582 414 1 6 . 1 1 6 6 HIS CA C 6 53.404 53.404 54.990 -1.586 25582 415 1 6 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.504 -2.212 25582 416 1 6 . 1 1 6 6 HIS H H 6 7.457 7.457 8.869 -1.412 25582 417 1 6 . 1 1 7 7 LEU N N 7 121.536 121.536 121.997 -0.461 25582 418 1 6 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.024 -0.121 25582 419 1 6 . 1 1 7 7 LEU C C 7 172.872 172.872 176.572 -3.700 25582 420 1 6 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.212 -2.551 25582 421 1 6 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.584 -2.776 25582 422 1 6 . 1 1 7 7 LEU H H 7 6.540 6.540 7.561 -1.021 25582 423 1 6 . 1 1 8 8 LYS N N 8 119.261 119.261 123.269 -4.008 25582 424 1 6 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.453 0.055 25582 425 1 6 . 1 1 8 8 LYS C C 8 172.587 172.587 176.187 -3.600 25582 426 1 6 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.401 -4.149 25582 427 1 6 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.053 -0.678 25582 428 1 6 . 1 1 8 8 LYS H H 8 8.492 8.492 8.493 -0.001 25582 429 1 6 . 1 1 9 9 GLY N N 9 112.295 112.295 113.614 -1.319 25582 430 1 6 . 1 1 9 9 GLY C C 9 174.090 174.090 174.986 -0.896 25582 431 1 6 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.414 -0.590 25582 432 1 6 . 1 1 9 9 GLY H H 9 8.694 8.694 8.224 0.470 25582 433 1 6 . 1 1 10 10 ARG N N 10 126.817 126.817 120.791 6.026 25582 434 1 6 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.881 -0.845 25582 435 1 6 . 1 1 10 10 ARG C C 10 171.915 171.915 178.011 -6.096 25582 436 1 6 . 1 1 10 10 ARG CA C 10 55.701 55.701 59.120 -3.419 25582 437 1 6 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.096 -3.525 25582 438 1 6 . 1 1 10 10 ARG H H 10 8.798 8.798 8.743 0.055 25582 439 1 6 . 1 1 11 11 GLU N N 11 113.440 113.440 119.404 -5.964 25582 440 1 6 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.111 -0.471 25582 441 1 6 . 1 1 11 11 GLU C C 11 173.276 173.276 179.235 -5.959 25582 442 1 6 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.256 -3.827 25582 443 1 6 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.296 -1.530 25582 444 1 6 . 1 1 11 11 GLU H H 11 7.453 7.453 8.144 -0.691 25582 445 1 6 . 1 1 12 12 ILE N N 12 118.236 118.236 118.280 -0.044 25582 446 1 6 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.236 -1.367 25582 447 1 6 . 1 1 12 12 ILE C C 12 176.838 176.838 177.714 -0.876 25582 448 1 6 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.845 -0.241 25582 449 1 6 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.189 -3.386 25582 450 1 6 . 1 1 12 12 ILE H H 12 7.499 7.499 8.461 -0.962 25582 451 1 6 . 1 1 13 13 GLY N N 13 104.389 104.389 108.402 -4.013 25582 452 1 6 . 1 1 13 13 GLY C C 13 174.111 174.111 175.414 -1.303 25582 453 1 6 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.596 -0.990 25582 454 1 6 . 1 1 13 13 GLY H H 13 6.135 6.135 7.651 -1.516 25582 455 1 6 . 1 1 14 14 MET N N 14 114.865 114.865 118.230 -3.365 25582 456 1 6 . 1 1 14 14 MET HA H 14 3.952 3.952 4.711 -0.759 25582 457 1 6 . 1 1 14 14 MET CA C 14 53.002 53.002 54.362 -1.360 25582 458 1 6 . 1 1 14 14 MET CB C 14 30.242 30.242 32.598 -2.356 25582 459 1 6 . 1 1 14 14 MET H H 14 7.977 7.977 8.066 -0.089 25582 460 1 6 . 1 1 15 15 TRP N N 15 122.784 122.784 121.665 1.119 25582 461 1 6 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.276 -0.551 25582 462 1 6 . 1 1 15 15 TRP C C 15 175.377 175.377 176.344 -0.967 25582 463 1 6 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.492 -1.181 25582 464 1 6 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.050 -4.640 25582 465 1 6 . 1 1 15 15 TRP H H 15 7.489 7.489 7.933 -0.444 25582 466 1 6 . 1 1 17 17 ALA HA H 17 3.773 3.773 4.287 -0.514 25582 467 1 6 . 1 1 17 17 ALA CA C 17 51.092 51.092 50.503 0.589 25582 468 1 6 . 1 1 17 17 ALA CB C 17 15.083 15.083 19.008 -3.925 25582 469 1 6 . 1 1 18 18 LYS N N 18 115.668 115.668 124.358 -8.690 25582 470 1 6 . 1 1 18 18 LYS HA H 18 4.002 4.002 4.003 -0.001 25582 471 1 6 . 1 1 18 18 LYS C C 18 175.108 175.108 176.023 -0.915 25582 472 1 6 . 1 1 18 18 LYS CA C 18 52.995 52.995 57.215 -4.220 25582 473 1 6 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.583 -3.897 25582 474 1 6 . 1 1 18 18 LYS H H 18 7.246 7.246 8.408 -1.162 25582 475 1 6 . 1 1 19 19 LYS N N 19 121.064 121.064 117.672 3.392 25582 476 1 6 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.912 -0.054 25582 477 1 6 . 1 1 19 19 LYS C C 19 172.881 172.881 175.228 -2.347 25582 478 1 6 . 1 1 19 19 LYS CA C 19 53.325 53.325 56.818 -3.493 25582 479 1 6 . 1 1 19 19 LYS CB C 19 29.238 29.238 30.953 -1.715 25582 480 1 6 . 1 1 19 19 LYS H H 19 7.841 7.841 8.097 -0.256 25582 481 1 7 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.524 -0.115 25582 482 1 7 . 1 1 3 3 HIS CA C 3 53.098 53.098 56.511 -3.413 25582 483 1 7 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.246 -0.379 25582 484 1 7 . 1 1 4 4 PRO HA H 4 3.972 3.972 4.311 -0.339 25582 485 1 7 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.748 -4.562 25582 486 1 7 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.703 -2.162 25582 487 1 7 . 1 1 5 5 GLY N N 5 107.940 107.940 108.681 -0.741 25582 488 1 7 . 1 1 5 5 GLY C C 5 175.807 175.807 175.006 0.801 25582 489 1 7 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.847 -1.868 25582 490 1 7 . 1 1 5 5 GLY H H 5 8.315 8.315 8.820 -0.505 25582 491 1 7 . 1 1 6 6 HIS N N 6 114.183 114.183 118.958 -4.775 25582 492 1 7 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.615 -0.104 25582 493 1 7 . 1 1 6 6 HIS C C 6 171.192 171.192 174.974 -3.782 25582 494 1 7 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.713 -2.309 25582 495 1 7 . 1 1 6 6 HIS CB C 6 27.292 27.292 30.118 -2.826 25582 496 1 7 . 1 1 6 6 HIS H H 6 7.457 7.457 8.165 -0.708 25582 497 1 7 . 1 1 7 7 LEU N N 7 121.536 121.536 120.897 0.639 25582 498 1 7 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.395 -0.492 25582 499 1 7 . 1 1 7 7 LEU C C 7 172.872 172.872 176.726 -3.854 25582 500 1 7 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.566 -2.905 25582 501 1 7 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.680 -2.872 25582 502 1 7 . 1 1 7 7 LEU H H 7 6.540 6.540 7.777 -1.237 25582 503 1 7 . 1 1 8 8 LYS N N 8 119.261 119.261 120.537 -1.276 25582 504 1 7 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.519 -0.011 25582 505 1 7 . 1 1 8 8 LYS C C 8 172.587 172.587 176.007 -3.420 25582 506 1 7 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.763 -4.511 25582 507 1 7 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.426 -1.051 25582 508 1 7 . 1 1 8 8 LYS H H 8 8.492 8.492 8.137 0.355 25582 509 1 7 . 1 1 9 9 GLY N N 9 112.295 112.295 112.453 -0.158 25582 510 1 7 . 1 1 9 9 GLY C C 9 174.090 174.090 175.344 -1.254 25582 511 1 7 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.705 -0.881 25582 512 1 7 . 1 1 9 9 GLY H H 9 8.694 8.694 8.324 0.370 25582 513 1 7 . 1 1 10 10 ARG N N 10 126.817 126.817 123.590 3.227 25582 514 1 7 . 1 1 10 10 ARG HA H 10 3.036 3.036 4.068 -1.032 25582 515 1 7 . 1 1 10 10 ARG C C 10 171.915 171.915 177.848 -5.933 25582 516 1 7 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.221 -2.520 25582 517 1 7 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.212 -3.641 25582 518 1 7 . 1 1 10 10 ARG H H 10 8.798 8.798 8.743 0.055 25582 519 1 7 . 1 1 11 11 GLU N N 11 113.440 113.440 119.106 -5.666 25582 520 1 7 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.053 -0.412 25582 521 1 7 . 1 1 11 11 GLU C C 11 173.276 173.276 178.952 -5.676 25582 522 1 7 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.038 -3.609 25582 523 1 7 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.257 -1.492 25582 524 1 7 . 1 1 11 11 GLU H H 11 7.453 7.453 8.320 -0.867 25582 525 1 7 . 1 1 12 12 ILE N N 12 118.236 118.236 118.720 -0.484 25582 526 1 7 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.291 -1.422 25582 527 1 7 . 1 1 12 12 ILE C C 12 176.838 176.838 177.548 -0.710 25582 528 1 7 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.346 0.258 25582 529 1 7 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.327 -3.524 25582 530 1 7 . 1 1 12 12 ILE H H 12 7.499 7.499 7.491 0.008 25582 531 1 7 . 1 1 13 13 GLY N N 13 104.389 104.389 108.969 -4.580 25582 532 1 7 . 1 1 13 13 GLY C C 13 174.111 174.111 175.406 -1.295 25582 533 1 7 . 1 1 13 13 GLY CA C 13 45.606 45.606 47.270 -1.664 25582 534 1 7 . 1 1 13 13 GLY H H 13 6.135 6.135 7.913 -1.778 25582 535 1 7 . 1 1 14 14 MET N N 14 114.865 114.865 116.706 -1.841 25582 536 1 7 . 1 1 14 14 MET HA H 14 3.952 3.952 4.765 -0.813 25582 537 1 7 . 1 1 14 14 MET CA C 14 53.002 53.002 55.239 -2.237 25582 538 1 7 . 1 1 14 14 MET CB C 14 30.242 30.242 33.922 -3.680 25582 539 1 7 . 1 1 14 14 MET H H 14 7.977 7.977 7.928 0.049 25582 540 1 7 . 1 1 15 15 TRP N N 15 122.784 122.784 121.366 1.418 25582 541 1 7 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.628 -0.903 25582 542 1 7 . 1 1 15 15 TRP C C 15 175.377 175.377 176.812 -1.435 25582 543 1 7 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.209 -0.898 25582 544 1 7 . 1 1 15 15 TRP CB C 15 25.410 25.410 31.082 -5.672 25582 545 1 7 . 1 1 15 15 TRP H H 15 7.489 7.489 7.734 -0.245 25582 546 1 7 . 1 1 17 17 ALA HA H 17 3.773 3.773 4.287 -0.514 25582 547 1 7 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.808 -1.716 25582 548 1 7 . 1 1 17 17 ALA CB C 17 15.083 15.083 17.824 -2.741 25582 549 1 7 . 1 1 18 18 LYS N N 18 115.668 115.668 116.027 -0.359 25582 550 1 7 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.971 0.031 25582 551 1 7 . 1 1 18 18 LYS C C 18 175.108 175.108 176.676 -1.568 25582 552 1 7 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.398 -3.403 25582 553 1 7 . 1 1 18 18 LYS CB C 18 28.686 28.686 31.199 -2.513 25582 554 1 7 . 1 1 18 18 LYS H H 18 7.246 7.246 8.059 -0.813 25582 555 1 7 . 1 1 19 19 LYS N N 19 121.064 121.064 117.003 4.061 25582 556 1 7 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.791 0.067 25582 557 1 7 . 1 1 19 19 LYS C C 19 172.881 172.881 176.745 -3.864 25582 558 1 7 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.278 -4.953 25582 559 1 7 . 1 1 19 19 LYS CB C 19 29.238 29.238 30.582 -1.344 25582 560 1 7 . 1 1 19 19 LYS H H 19 7.841 7.841 7.499 0.342 25582 561 1 8 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.706 -0.297 25582 562 1 8 . 1 1 3 3 HIS CA C 3 53.098 53.098 53.119 -0.021 25582 563 1 8 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.094 -0.227 25582 564 1 8 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.885 0.087 25582 565 1 8 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.130 -3.944 25582 566 1 8 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.790 -2.249 25582 567 1 8 . 1 1 5 5 GLY N N 5 107.940 107.940 107.121 0.819 25582 568 1 8 . 1 1 5 5 GLY C C 5 175.807 175.807 174.464 1.343 25582 569 1 8 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.192 -1.213 25582 570 1 8 . 1 1 5 5 GLY H H 5 8.315 8.315 8.808 -0.493 25582 571 1 8 . 1 1 6 6 HIS N N 6 114.183 114.183 118.400 -4.217 25582 572 1 8 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.623 -0.112 25582 573 1 8 . 1 1 6 6 HIS C C 6 171.192 171.192 175.418 -4.226 25582 574 1 8 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.658 -2.254 25582 575 1 8 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.750 -2.458 25582 576 1 8 . 1 1 6 6 HIS H H 6 7.457 7.457 8.143 -0.686 25582 577 1 8 . 1 1 7 7 LEU N N 7 121.536 121.536 120.908 0.628 25582 578 1 8 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.275 -0.372 25582 579 1 8 . 1 1 7 7 LEU C C 7 172.872 172.872 176.335 -3.463 25582 580 1 8 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.577 -2.916 25582 581 1 8 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.348 -3.540 25582 582 1 8 . 1 1 7 7 LEU H H 7 6.540 6.540 7.543 -1.003 25582 583 1 8 . 1 1 8 8 LYS N N 8 119.261 119.261 118.946 0.315 25582 584 1 8 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.489 0.019 25582 585 1 8 . 1 1 8 8 LYS C C 8 172.587 172.587 175.656 -3.069 25582 586 1 8 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.856 -4.604 25582 587 1 8 . 1 1 8 8 LYS CB C 8 33.375 33.375 35.488 -2.113 25582 588 1 8 . 1 1 8 8 LYS H H 8 8.492 8.492 8.253 0.239 25582 589 1 8 . 1 1 9 9 GLY N N 9 112.295 112.295 110.776 1.519 25582 590 1 8 . 1 1 9 9 GLY C C 9 174.090 174.090 174.767 -0.677 25582 591 1 8 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.562 -0.738 25582 592 1 8 . 1 1 9 9 GLY H H 9 8.694 8.694 8.115 0.579 25582 593 1 8 . 1 1 10 10 ARG N N 10 126.817 126.817 120.201 6.616 25582 594 1 8 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.985 -0.949 25582 595 1 8 . 1 1 10 10 ARG C C 10 171.915 171.915 178.305 -6.390 25582 596 1 8 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.647 -2.946 25582 597 1 8 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.110 -3.539 25582 598 1 8 . 1 1 10 10 ARG H H 10 8.798 8.798 8.730 0.068 25582 599 1 8 . 1 1 11 11 GLU N N 11 113.440 113.440 119.801 -6.361 25582 600 1 8 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.160 -0.520 25582 601 1 8 . 1 1 11 11 GLU C C 11 173.276 173.276 179.122 -5.846 25582 602 1 8 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.398 -3.969 25582 603 1 8 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.450 -1.685 25582 604 1 8 . 1 1 11 11 GLU H H 11 7.453 7.453 8.082 -0.628 25582 605 1 8 . 1 1 12 12 ILE N N 12 118.236 118.236 119.144 -0.908 25582 606 1 8 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.322 -1.453 25582 607 1 8 . 1 1 12 12 ILE C C 12 176.838 176.838 177.509 -0.671 25582 608 1 8 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.359 0.245 25582 609 1 8 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.281 -3.478 25582 610 1 8 . 1 1 12 12 ILE H H 12 7.499 7.499 8.119 -0.620 25582 611 1 8 . 1 1 13 13 GLY N N 13 104.389 104.389 108.491 -4.102 25582 612 1 8 . 1 1 13 13 GLY C C 13 174.111 174.111 175.166 -1.055 25582 613 1 8 . 1 1 13 13 GLY CA C 13 45.606 45.606 47.162 -1.556 25582 614 1 8 . 1 1 13 13 GLY H H 13 6.135 6.135 7.977 -1.842 25582 615 1 8 . 1 1 14 14 MET N N 14 114.865 114.865 117.292 -2.427 25582 616 1 8 . 1 1 14 14 MET HA H 14 3.952 3.952 4.773 -0.821 25582 617 1 8 . 1 1 14 14 MET CA C 14 53.002 53.002 55.733 -2.731 25582 618 1 8 . 1 1 14 14 MET CB C 14 30.242 30.242 33.795 -3.553 25582 619 1 8 . 1 1 14 14 MET H H 14 7.977 7.977 7.548 0.429 25582 620 1 8 . 1 1 15 15 TRP N N 15 122.784 122.784 122.859 -0.075 25582 621 1 8 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.257 -0.532 25582 622 1 8 . 1 1 15 15 TRP C C 15 175.377 175.377 177.096 -1.719 25582 623 1 8 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.694 -1.383 25582 624 1 8 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.051 -4.641 25582 625 1 8 . 1 1 15 15 TRP H H 15 7.489 7.489 8.016 -0.527 25582 626 1 8 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.975 -0.202 25582 627 1 8 . 1 1 17 17 ALA CA C 17 51.092 51.092 53.056 -1.964 25582 628 1 8 . 1 1 17 17 ALA CB C 17 15.083 15.083 19.155 -4.072 25582 629 1 8 . 1 1 18 18 LYS N N 18 115.668 115.668 122.873 -7.205 25582 630 1 8 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.896 0.106 25582 631 1 8 . 1 1 18 18 LYS C C 18 175.108 175.108 177.136 -2.028 25582 632 1 8 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.687 -3.692 25582 633 1 8 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.396 -3.710 25582 634 1 8 . 1 1 18 18 LYS H H 18 7.246 7.246 8.228 -0.982 25582 635 1 8 . 1 1 19 19 LYS N N 19 121.064 121.064 118.110 2.954 25582 636 1 8 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.894 -0.036 25582 637 1 8 . 1 1 19 19 LYS C C 19 172.881 172.881 175.115 -2.234 25582 638 1 8 . 1 1 19 19 LYS CA C 19 53.325 53.325 57.992 -4.667 25582 639 1 8 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.426 -2.188 25582 640 1 8 . 1 1 19 19 LYS H H 19 7.841 7.841 7.882 -0.041 25582 641 1 9 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.875 -0.466 25582 642 1 9 . 1 1 3 3 HIS CA C 3 53.098 53.098 53.361 -0.263 25582 643 1 9 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.167 -0.300 25582 644 1 9 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.581 0.391 25582 645 1 9 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.038 -3.852 25582 646 1 9 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.672 -2.131 25582 647 1 9 . 1 1 5 5 GLY N N 5 107.940 107.940 105.395 2.545 25582 648 1 9 . 1 1 5 5 GLY C C 5 175.807 175.807 174.762 1.045 25582 649 1 9 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.817 -1.838 25582 650 1 9 . 1 1 5 5 GLY H H 5 8.315 8.315 8.548 -0.233 25582 651 1 9 . 1 1 6 6 HIS N N 6 114.183 114.183 118.888 -4.705 25582 652 1 9 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.729 -0.218 25582 653 1 9 . 1 1 6 6 HIS C C 6 171.192 171.192 175.296 -4.104 25582 654 1 9 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.304 -1.900 25582 655 1 9 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.887 -2.595 25582 656 1 9 . 1 1 6 6 HIS H H 6 7.457 7.457 7.071 0.386 25582 657 1 9 . 1 1 7 7 LEU N N 7 121.536 121.536 121.012 0.524 25582 658 1 9 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.361 -0.458 25582 659 1 9 . 1 1 7 7 LEU C C 7 172.872 172.872 176.351 -3.479 25582 660 1 9 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.157 -2.496 25582 661 1 9 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.333 -3.525 25582 662 1 9 . 1 1 7 7 LEU H H 7 6.540 6.540 7.259 -0.719 25582 663 1 9 . 1 1 8 8 LYS N N 8 119.261 119.261 122.573 -3.312 25582 664 1 9 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.488 0.020 25582 665 1 9 . 1 1 8 8 LYS C C 8 172.587 172.587 176.094 -3.507 25582 666 1 9 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.891 -4.639 25582 667 1 9 . 1 1 8 8 LYS CB C 8 33.375 33.375 33.750 -0.375 25582 668 1 9 . 1 1 8 8 LYS H H 8 8.492 8.492 8.757 -0.265 25582 669 1 9 . 1 1 9 9 GLY N N 9 112.295 112.295 112.613 -0.318 25582 670 1 9 . 1 1 9 9 GLY C C 9 174.090 174.090 174.870 -0.780 25582 671 1 9 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.557 -0.733 25582 672 1 9 . 1 1 9 9 GLY H H 9 8.694 8.694 8.185 0.509 25582 673 1 9 . 1 1 10 10 ARG N N 10 126.817 126.817 120.727 6.090 25582 674 1 9 . 1 1 10 10 ARG HA H 10 3.036 3.036 4.050 -1.014 25582 675 1 9 . 1 1 10 10 ARG C C 10 171.915 171.915 177.844 -5.929 25582 676 1 9 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.066 -2.365 25582 677 1 9 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.163 -3.592 25582 678 1 9 . 1 1 10 10 ARG H H 10 8.798 8.798 8.691 0.107 25582 679 1 9 . 1 1 11 11 GLU N N 11 113.440 113.440 120.361 -6.921 25582 680 1 9 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.084 -0.444 25582 681 1 9 . 1 1 11 11 GLU C C 11 173.276 173.276 178.870 -5.594 25582 682 1 9 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.160 -3.731 25582 683 1 9 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.071 -1.306 25582 684 1 9 . 1 1 11 11 GLU H H 11 7.453 7.453 8.080 -0.627 25582 685 1 9 . 1 1 12 12 ILE N N 12 118.236 118.236 119.411 -1.175 25582 686 1 9 . 1 1 12 12 ILE HA H 12 2.869 2.869 3.915 -1.046 25582 687 1 9 . 1 1 12 12 ILE C C 12 176.838 176.838 177.347 -0.509 25582 688 1 9 . 1 1 12 12 ILE CA C 12 62.604 62.604 63.841 -1.237 25582 689 1 9 . 1 1 12 12 ILE CB C 12 34.803 34.803 37.889 -3.086 25582 690 1 9 . 1 1 12 12 ILE H H 12 7.499 7.499 7.516 -0.017 25582 691 1 9 . 1 1 13 13 GLY N N 13 104.389 104.389 107.404 -3.015 25582 692 1 9 . 1 1 13 13 GLY C C 13 174.111 174.111 175.760 -1.649 25582 693 1 9 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.796 -1.190 25582 694 1 9 . 1 1 13 13 GLY H H 13 6.135 6.135 7.591 -1.456 25582 695 1 9 . 1 1 14 14 MET N N 14 114.865 114.865 118.051 -3.186 25582 696 1 9 . 1 1 14 14 MET HA H 14 3.952 3.952 4.863 -0.911 25582 697 1 9 . 1 1 14 14 MET CA C 14 53.002 53.002 54.023 -1.021 25582 698 1 9 . 1 1 14 14 MET CB C 14 30.242 30.242 33.154 -2.912 25582 699 1 9 . 1 1 14 14 MET H H 14 7.977 7.977 8.198 -0.221 25582 700 1 9 . 1 1 15 15 TRP N N 15 122.784 122.784 124.008 -1.224 25582 701 1 9 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.245 -0.520 25582 702 1 9 . 1 1 15 15 TRP C C 15 175.377 175.377 176.519 -1.142 25582 703 1 9 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.760 -1.449 25582 704 1 9 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.044 -4.634 25582 705 1 9 . 1 1 15 15 TRP H H 15 7.489 7.489 8.799 -1.310 25582 706 1 9 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.975 -0.202 25582 707 1 9 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.962 -1.870 25582 708 1 9 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.439 -3.356 25582 709 1 9 . 1 1 18 18 LYS N N 18 115.668 115.668 124.083 -8.415 25582 710 1 9 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.564 0.438 25582 711 1 9 . 1 1 18 18 LYS C C 18 175.108 175.108 176.842 -1.734 25582 712 1 9 . 1 1 18 18 LYS CA C 18 52.995 52.995 57.609 -4.614 25582 713 1 9 . 1 1 18 18 LYS CB C 18 28.686 28.686 33.002 -4.316 25582 714 1 9 . 1 1 18 18 LYS H H 18 7.246 7.246 8.456 -1.210 25582 715 1 9 . 1 1 19 19 LYS N N 19 121.064 121.064 116.086 4.978 25582 716 1 9 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.859 -0.001 25582 717 1 9 . 1 1 19 19 LYS C C 19 172.881 172.881 176.609 -3.728 25582 718 1 9 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.635 -5.310 25582 719 1 9 . 1 1 19 19 LYS CB C 19 29.238 29.238 30.804 -1.566 25582 720 1 9 . 1 1 19 19 LYS H H 19 7.841 7.841 8.135 -0.294 25582 721 1 10 . 1 1 3 3 HIS HA H 3 4.409 4.409 4.048 0.361 25582 722 1 10 . 1 1 3 3 HIS CA C 3 53.098 53.098 55.742 -2.644 25582 723 1 10 . 1 1 3 3 HIS CB C 3 28.867 28.867 28.065 0.802 25582 724 1 10 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.801 0.171 25582 725 1 10 . 1 1 4 4 PRO CA C 4 60.186 60.186 63.945 -3.759 25582 726 1 10 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.666 -2.125 25582 727 1 10 . 1 1 5 5 GLY N N 5 107.940 107.940 103.855 4.085 25582 728 1 10 . 1 1 5 5 GLY C C 5 175.807 175.807 174.651 1.156 25582 729 1 10 . 1 1 5 5 GLY CA C 5 43.979 43.979 46.363 -2.384 25582 730 1 10 . 1 1 5 5 GLY H H 5 8.315 8.315 8.398 -0.083 25582 731 1 10 . 1 1 6 6 HIS N N 6 114.183 114.183 118.564 -4.381 25582 732 1 10 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.547 -0.036 25582 733 1 10 . 1 1 6 6 HIS C C 6 171.192 171.192 175.197 -4.005 25582 734 1 10 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.626 -2.222 25582 735 1 10 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.854 -2.562 25582 736 1 10 . 1 1 6 6 HIS H H 6 7.457 7.457 7.140 0.317 25582 737 1 10 . 1 1 7 7 LEU N N 7 121.536 121.536 121.574 -0.038 25582 738 1 10 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.297 -0.394 25582 739 1 10 . 1 1 7 7 LEU C C 7 172.872 172.872 176.464 -3.592 25582 740 1 10 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.218 -2.557 25582 741 1 10 . 1 1 7 7 LEU CB C 7 39.808 39.808 42.550 -2.742 25582 742 1 10 . 1 1 7 7 LEU H H 7 6.540 6.540 7.508 -0.968 25582 743 1 10 . 1 1 8 8 LYS N N 8 119.261 119.261 121.888 -2.627 25582 744 1 10 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.505 0.003 25582 745 1 10 . 1 1 8 8 LYS C C 8 172.587 172.587 176.341 -3.754 25582 746 1 10 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.783 -4.532 25582 747 1 10 . 1 1 8 8 LYS CB C 8 33.375 33.375 33.904 -0.529 25582 748 1 10 . 1 1 8 8 LYS H H 8 8.492 8.492 8.202 0.290 25582 749 1 10 . 1 1 9 9 GLY N N 9 112.295 112.295 111.866 0.429 25582 750 1 10 . 1 1 9 9 GLY C C 9 174.090 174.090 175.179 -1.089 25582 751 1 10 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.292 -0.468 25582 752 1 10 . 1 1 9 9 GLY H H 9 8.694 8.694 8.096 0.598 25582 753 1 10 . 1 1 10 10 ARG N N 10 126.817 126.817 120.504 6.313 25582 754 1 10 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.931 -0.895 25582 755 1 10 . 1 1 10 10 ARG C C 10 171.915 171.915 177.888 -5.973 25582 756 1 10 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.606 -2.905 25582 757 1 10 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.112 -3.541 25582 758 1 10 . 1 1 10 10 ARG H H 10 8.798 8.798 8.704 0.094 25582 759 1 10 . 1 1 11 11 GLU N N 11 113.440 113.440 119.707 -6.267 25582 760 1 10 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.102 -0.462 25582 761 1 10 . 1 1 11 11 GLU C C 11 173.276 173.276 179.010 -5.734 25582 762 1 10 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.489 -4.060 25582 763 1 10 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.057 -1.292 25582 764 1 10 . 1 1 11 11 GLU H H 11 7.453 7.453 7.969 -0.516 25582 765 1 10 . 1 1 12 12 ILE N N 12 118.236 118.236 119.385 -1.149 25582 766 1 10 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.035 -1.166 25582 767 1 10 . 1 1 12 12 ILE C C 12 176.838 176.838 177.982 -1.144 25582 768 1 10 . 1 1 12 12 ILE CA C 12 62.604 62.604 63.640 -1.036 25582 769 1 10 . 1 1 12 12 ILE CB C 12 34.803 34.803 37.875 -3.072 25582 770 1 10 . 1 1 12 12 ILE H H 12 7.499 7.499 7.754 -0.255 25582 771 1 10 . 1 1 13 13 GLY N N 13 104.389 104.389 107.955 -3.566 25582 772 1 10 . 1 1 13 13 GLY C C 13 174.111 174.111 175.543 -1.432 25582 773 1 10 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.850 -1.244 25582 774 1 10 . 1 1 13 13 GLY H H 13 6.135 6.135 7.685 -1.550 25582 775 1 10 . 1 1 14 14 MET N N 14 114.865 114.865 117.556 -2.691 25582 776 1 10 . 1 1 14 14 MET HA H 14 3.952 3.952 4.825 -0.873 25582 777 1 10 . 1 1 14 14 MET CA C 14 53.002 53.002 54.266 -1.264 25582 778 1 10 . 1 1 14 14 MET CB C 14 30.242 30.242 33.479 -3.237 25582 779 1 10 . 1 1 14 14 MET H H 14 7.977 7.977 8.041 -0.064 25582 780 1 10 . 1 1 15 15 TRP N N 15 122.784 122.784 123.317 -0.533 25582 781 1 10 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.241 -0.516 25582 782 1 10 . 1 1 15 15 TRP C C 15 175.377 175.377 175.377 0.000 25582 783 1 10 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.522 -1.211 25582 784 1 10 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.274 -4.864 25582 785 1 10 . 1 1 15 15 TRP H H 15 7.489 7.489 8.680 -1.191 25582 786 1 10 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.991 -0.218 25582 787 1 10 . 1 1 17 17 ALA CA C 17 51.092 51.092 53.658 -2.566 25582 788 1 10 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.291 -3.208 25582 789 1 10 . 1 1 18 18 LYS N N 18 115.668 115.668 123.160 -7.492 25582 790 1 10 . 1 1 18 18 LYS HA H 18 4.002 4.002 4.023 -0.021 25582 791 1 10 . 1 1 18 18 LYS C C 18 175.108 175.108 177.140 -2.032 25582 792 1 10 . 1 1 18 18 LYS CA C 18 52.995 52.995 55.685 -2.690 25582 793 1 10 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.645 -3.959 25582 794 1 10 . 1 1 18 18 LYS H H 18 7.246 7.246 7.491 -0.245 25582 795 1 10 . 1 1 19 19 LYS N N 19 121.064 121.064 118.392 2.672 25582 796 1 10 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.848 0.010 25582 797 1 10 . 1 1 19 19 LYS C C 19 172.881 172.881 177.376 -4.495 25582 798 1 10 . 1 1 19 19 LYS CA C 19 53.325 53.325 58.209 -4.885 25582 799 1 10 . 1 1 19 19 LYS CB C 19 29.238 29.238 30.990 -1.752 25582 800 1 10 . 1 1 19 19 LYS H H 19 7.841 7.841 8.151 -0.310 25582 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 13 3.470 0.805 3.514 25582 2 1 1 "Average Difference" HA 19 0.508 0.139 0.502 25582 3 1 1 "Average Difference" C 12 3.211 2.490 2.117 25582 4 1 1 "Average Difference" CA 16 2.718 2.191 1.661 25582 5 1 1 "Average Difference" CB 13 2.870 2.506 1.456 25582 6 1 1 "Average Difference" HN 13 0.652 0.278 0.614 25582 7 1 2 "Average Difference" N 13 3.429 0.664 3.502 25582 8 1 2 "Average Difference" HA 19 0.507 0.123 0.505 25582 9 1 2 "Average Difference" C 12 3.556 2.843 2.231 25582 10 1 2 "Average Difference" CA 16 2.958 2.606 1.447 25582 11 1 2 "Average Difference" CB 13 2.845 2.498 1.418 25582 12 1 2 "Average Difference" HN 13 0.690 0.373 0.604 25582 13 1 3 "Average Difference" N 13 3.814 1.052 3.815 25582 14 1 3 "Average Difference" HA 19 0.527 0.211 0.496 25582 15 1 3 "Average Difference" C 12 3.197 2.446 2.151 25582 16 1 3 "Average Difference" CA 16 2.690 2.131 1.695 25582 17 1 3 "Average Difference" CB 13 3.219 2.781 1.686 25582 18 1 3 "Average Difference" HN 13 0.656 0.413 0.530 25582 19 1 4 "Average Difference" N 13 3.952 0.095 4.112 25582 20 1 4 "Average Difference" HA 19 0.564 0.215 0.536 25582 21 1 4 "Average Difference" C 12 3.200 2.513 2.070 25582 22 1 4 "Average Difference" CA 16 2.713 2.262 1.547 25582 23 1 4 "Average Difference" CB 13 3.262 3.043 1.223 25582 24 1 4 "Average Difference" HN 13 0.736 0.385 0.653 25582 25 1 5 "Average Difference" N 13 3.716 1.234 3.648 25582 26 1 5 "Average Difference" HA 19 0.513 0.204 0.483 25582 27 1 5 "Average Difference" C 12 3.310 2.545 2.211 25582 28 1 5 "Average Difference" CA 16 2.962 2.569 1.522 25582 29 1 5 "Average Difference" CB 13 2.814 2.479 1.385 25582 30 1 5 "Average Difference" HN 13 0.690 0.398 0.587 25582 31 1 6 "Average Difference" N 13 4.293 1.682 4.111 25582 32 1 6 "Average Difference" HA 19 0.506 0.230 0.463 25582 33 1 6 "Average Difference" C 12 3.291 2.510 2.224 25582 34 1 6 "Average Difference" CA 16 2.527 1.959 1.648 25582 35 1 6 "Average Difference" CB 13 2.859 2.578 1.285 25582 36 1 6 "Average Difference" HN 13 0.819 0.569 0.613 25582 37 1 7 "Average Difference" N 13 2.924 0.810 2.924 25582 38 1 7 "Average Difference" HA 19 0.565 0.241 0.525 25582 39 1 7 "Average Difference" C 12 3.318 2.666 2.063 25582 40 1 7 "Average Difference" CA 16 2.936 2.574 1.458 25582 41 1 7 "Average Difference" CB 13 2.927 2.608 1.385 25582 42 1 7 "Average Difference" HN 13 0.750 0.383 0.671 25582 43 1 8 "Average Difference" N 13 3.820 0.957 3.849 25582 44 1 8 "Average Difference" HA 19 0.525 0.194 0.502 25582 45 1 8 "Average Difference" C 12 3.293 2.503 2.236 25582 46 1 8 "Average Difference" CA 16 2.827 2.397 1.549 25582 47 1 8 "Average Difference" CB 13 3.100 2.881 1.190 25582 48 1 8 "Average Difference" HN 13 0.770 0.424 0.670 25582 49 1 9 "Average Difference" N 13 4.320 1.395 4.256 25582 50 1 9 "Average Difference" HA 19 0.503 0.178 0.483 25582 51 1 9 "Average Difference" C 12 3.299 2.592 2.130 25582 52 1 9 "Average Difference" CA 16 2.837 2.407 1.551 25582 53 1 9 "Average Difference" CB 13 2.914 2.592 1.385 25582 54 1 9 "Average Difference" HN 13 0.728 0.412 0.625 25582 55 1 10 "Average Difference" N 13 3.990 1.173 3.969 25582 56 1 10 "Average Difference" HA 19 0.474 0.144 0.464 25582 57 1 10 "Average Difference" C 12 3.438 2.675 2.256 25582 58 1 10 "Average Difference" CA 16 2.821 2.527 1.296 25582 59 1 10 "Average Difference" CB 13 2.860 2.468 1.505 25582 60 1 10 "Average Difference" HN 13 0.668 0.299 0.622 25582 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 25582 _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 3 3 HIS HA H 3 4.409 4.409 4.534 -0.125 25582 2 1 . 1 1 3 3 HIS CA C 3 53.098 53.098 54.520 -1.422 25582 3 1 . 1 1 3 3 HIS CB C 3 28.867 28.867 29.009 -0.142 25582 4 1 . 1 1 4 4 PRO HA H 4 3.972 3.972 3.875 0.097 25582 5 1 . 1 1 4 4 PRO CA C 4 60.186 60.186 64.020 -3.834 25582 6 1 . 1 1 4 4 PRO CB C 4 29.541 29.541 31.756 -2.215 25582 7 1 . 1 1 5 5 GLY N N 5 107.940 107.940 106.678 1.262 25582 8 1 . 1 1 5 5 GLY C C 5 175.807 175.807 174.681 1.126 25582 9 1 . 1 1 5 5 GLY CA C 5 43.979 43.979 45.720 -1.741 25582 10 1 . 1 1 5 5 GLY H H 5 8.315 8.315 8.607 -0.291 25582 11 1 . 1 1 6 6 HIS N N 6 114.183 114.183 118.675 -4.492 25582 12 1 . 1 1 6 6 HIS HA H 6 4.511 4.511 4.649 -0.138 25582 13 1 . 1 1 6 6 HIS C C 6 171.192 171.192 175.170 -3.978 25582 14 1 . 1 1 6 6 HIS CA C 6 53.404 53.404 55.446 -2.042 25582 15 1 . 1 1 6 6 HIS CB C 6 27.292 27.292 29.884 -2.592 25582 16 1 . 1 1 6 6 HIS H H 6 7.457 7.457 7.640 -0.183 25582 17 1 . 1 1 7 7 LEU N N 7 121.536 121.536 120.857 0.679 25582 18 1 . 1 1 7 7 LEU HA H 7 3.903 3.903 4.382 -0.479 25582 19 1 . 1 1 7 7 LEU C C 7 172.872 172.872 176.404 -3.532 25582 20 1 . 1 1 7 7 LEU CA C 7 51.661 51.661 54.136 -2.475 25582 21 1 . 1 1 7 7 LEU CB C 7 39.808 39.808 43.002 -3.194 25582 22 1 . 1 1 7 7 LEU H H 7 6.540 6.540 7.494 -0.954 25582 23 1 . 1 1 8 8 LYS N N 8 119.261 119.261 121.186 -1.925 25582 24 1 . 1 1 8 8 LYS HA H 8 4.508 4.508 4.502 0.006 25582 25 1 . 1 1 8 8 LYS C C 8 172.587 172.587 176.104 -3.517 25582 26 1 . 1 1 8 8 LYS CA C 8 51.252 51.252 55.646 -4.395 25582 27 1 . 1 1 8 8 LYS CB C 8 33.375 33.375 34.278 -0.903 25582 28 1 . 1 1 8 8 LYS H H 8 8.492 8.492 8.376 0.116 25582 29 1 . 1 1 9 9 GLY N N 9 112.295 112.295 112.404 -0.109 25582 30 1 . 1 1 9 9 GLY C C 9 174.090 174.090 175.014 -0.924 25582 31 1 . 1 1 9 9 GLY CA C 9 43.824 43.824 44.523 -0.699 25582 32 1 . 1 1 9 9 GLY H H 9 8.694 8.694 8.203 0.491 25582 33 1 . 1 1 10 10 ARG N N 10 126.817 126.817 120.955 5.862 25582 34 1 . 1 1 10 10 ARG HA H 10 3.036 3.036 3.958 -0.922 25582 35 1 . 1 1 10 10 ARG C C 10 171.915 171.915 178.018 -6.103 25582 36 1 . 1 1 10 10 ARG CA C 10 55.701 55.701 58.636 -2.935 25582 37 1 . 1 1 10 10 ARG CB C 10 26.571 26.571 30.119 -3.548 25582 38 1 . 1 1 10 10 ARG H H 10 8.798 8.798 8.721 0.077 25582 39 1 . 1 1 11 11 GLU N N 11 113.440 113.440 119.582 -6.143 25582 40 1 . 1 1 11 11 GLU HA H 11 3.640 3.640 4.128 -0.488 25582 41 1 . 1 1 11 11 GLU C C 11 173.276 173.276 178.936 -5.661 25582 42 1 . 1 1 11 11 GLU CA C 11 55.429 55.429 59.215 -3.786 25582 43 1 . 1 1 11 11 GLU CB C 11 27.765 27.765 29.283 -1.518 25582 44 1 . 1 1 11 11 GLU H H 11 7.453 7.453 8.068 -0.615 25582 45 1 . 1 1 12 12 ILE N N 12 118.236 118.236 118.908 -0.672 25582 46 1 . 1 1 12 12 ILE HA H 12 2.869 2.869 4.161 -1.292 25582 47 1 . 1 1 12 12 ILE C C 12 176.838 176.838 177.507 -0.669 25582 48 1 . 1 1 12 12 ILE CA C 12 62.604 62.604 62.986 -0.382 25582 49 1 . 1 1 12 12 ILE CB C 12 34.803 34.803 38.205 -3.402 25582 50 1 . 1 1 12 12 ILE H H 12 7.499 7.499 8.050 -0.551 25582 51 1 . 1 1 13 13 GLY N N 13 104.389 104.389 108.237 -3.848 25582 52 1 . 1 1 13 13 GLY C C 13 174.111 174.111 175.493 -1.382 25582 53 1 . 1 1 13 13 GLY CA C 13 45.606 45.606 46.967 -1.361 25582 54 1 . 1 1 13 13 GLY H H 13 6.135 6.135 7.751 -1.616 25582 55 1 . 1 1 14 14 MET N N 14 114.865 114.865 117.356 -2.491 25582 56 1 . 1 1 14 14 MET HA H 14 3.952 3.952 4.777 -0.825 25582 57 1 . 1 1 14 14 MET CA C 14 53.002 53.002 54.612 -1.610 25582 58 1 . 1 1 14 14 MET CB C 14 30.242 30.242 33.232 -2.990 25582 59 1 . 1 1 14 14 MET H H 14 7.977 7.977 7.989 -0.012 25582 60 1 . 1 1 15 15 TRP N N 15 122.784 122.784 122.242 0.542 25582 61 1 . 1 1 15 15 TRP HA H 15 3.725 3.725 4.370 -0.645 25582 62 1 . 1 1 15 15 TRP C C 15 175.377 175.377 176.803 -1.426 25582 63 1 . 1 1 15 15 TRP CA C 15 59.311 59.311 60.330 -1.018 25582 64 1 . 1 1 15 15 TRP CB C 15 25.410 25.410 30.537 -5.127 25582 65 1 . 1 1 15 15 TRP H H 15 7.489 7.489 8.094 -0.605 25582 66 1 . 1 1 17 17 ALA HA H 17 3.773 3.773 3.985 -0.212 25582 67 1 . 1 1 17 17 ALA CA C 17 51.092 51.092 52.732 -1.640 25582 68 1 . 1 1 17 17 ALA CB C 17 15.083 15.083 18.439 -3.356 25582 69 1 . 1 1 18 18 LYS N N 18 115.668 115.668 121.024 -5.356 25582 70 1 . 1 1 18 18 LYS HA H 18 4.002 4.002 3.892 0.110 25582 71 1 . 1 1 18 18 LYS C C 18 175.108 175.108 176.754 -1.646 25582 72 1 . 1 1 18 18 LYS CA C 18 52.995 52.995 56.813 -3.818 25582 73 1 . 1 1 18 18 LYS CB C 18 28.686 28.686 32.123 -3.437 25582 74 1 . 1 1 18 18 LYS H H 18 7.246 7.246 8.112 -0.866 25582 75 1 . 1 1 19 19 LYS N N 19 121.064 121.064 117.200 3.864 25582 76 1 . 1 1 19 19 LYS HA H 19 3.858 3.858 3.845 0.013 25582 77 1 . 1 1 19 19 LYS C C 19 172.881 172.881 176.107 -3.226 25582 78 1 . 1 1 19 19 LYS CA C 19 53.325 53.325 57.967 -4.643 25582 79 1 . 1 1 19 19 LYS CB C 19 29.238 29.238 31.179 -1.941 25582 80 1 . 1 1 19 19 LYS H H 19 7.841 7.841 7.942 -0.101 25582 stop_ save_