data_25699 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25699 _Entry.PDB_ID 2N58 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 25699 _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 ALA HA H 2 4.079 4.079 4.493 -0.414 25699 2 1 1 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.319 1.507 25699 3 1 1 . 1 1 2 2 ALA CB C 2 21.988 21.988 20.665 1.323 25699 4 1 1 . 1 1 2 2 ALA H H 2 8.067 8.067 7.936 0.131 25699 5 1 1 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.263 -0.231 25699 6 1 1 . 1 1 3 3 GLU CB C 3 29.563 29.563 29.801 -0.238 25699 7 1 1 . 1 1 3 3 GLU H H 3 8.592 8.592 8.459 0.133 25699 8 1 1 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.079 0.051 25699 9 1 1 . 1 1 4 4 LYS CA C 4 56.839 56.839 59.320 -2.481 25699 10 1 1 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.592 0.214 25699 11 1 1 . 1 1 4 4 LYS H H 4 8.205 8.205 7.923 0.282 25699 12 1 1 . 1 1 5 5 VAL HA H 5 3.868 3.868 3.773 0.095 25699 13 1 1 . 1 1 5 5 VAL CA C 5 62.947 62.947 64.805 -1.858 25699 14 1 1 . 1 1 5 5 VAL CB C 5 32.536 32.536 31.213 1.323 25699 15 1 1 . 1 1 5 5 VAL H H 5 7.807 7.807 8.215 -0.408 25699 16 1 1 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.119 -0.041 25699 17 1 1 . 1 1 6 6 ALA CA C 6 53.076 53.076 55.321 -2.245 25699 18 1 1 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.534 0.473 25699 19 1 1 . 1 1 6 6 ALA H H 6 8.101 8.101 8.359 -0.258 25699 20 1 1 . 1 1 7 7 GLN HA H 7 4.072 4.072 3.992 0.080 25699 21 1 1 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.031 1.382 25699 22 1 1 . 1 1 7 7 GLN H H 7 8.065 8.065 7.883 0.182 25699 23 1 1 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.036 0.044 25699 24 1 1 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.527 -2.088 25699 25 1 1 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.334 0.219 25699 26 1 1 . 1 1 8 8 GLU H H 8 8.182 8.182 7.791 0.391 25699 27 1 1 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.039 -0.032 25699 28 1 1 . 1 1 9 9 LYS CA C 9 57.773 57.773 57.474 0.299 25699 29 1 1 . 1 1 9 9 LYS CB C 9 32.979 32.979 33.101 -0.122 25699 30 1 1 . 1 1 9 9 LYS H H 9 8.048 8.048 7.479 0.569 25699 31 1 1 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.209 0.353 25699 32 1 1 . 1 1 10 10 GLY H H 10 8.305 8.305 7.518 0.787 25699 33 1 1 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.826 -0.742 25699 34 1 1 . 1 1 11 11 PHE CB C 11 39.831 39.831 40.208 -0.377 25699 35 1 1 . 1 1 11 11 PHE H H 11 8.761 8.761 8.316 0.445 25699 36 1 1 . 1 1 12 12 LEU HA H 12 3.776 3.776 4.081 -0.305 25699 37 1 1 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.680 0.432 25699 38 1 1 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.258 -0.061 25699 39 1 1 . 1 1 12 12 LEU H H 12 8.728 8.728 8.172 0.556 25699 40 1 1 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.112 -0.070 25699 41 1 1 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.062 0.029 25699 42 1 1 . 1 1 13 13 TYR CB C 13 37.856 37.856 37.987 -0.131 25699 43 1 1 . 1 1 13 13 TYR H H 13 8.199 8.199 8.147 0.052 25699 44 1 1 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.720 0.054 25699 45 1 1 . 1 1 14 14 ARG CA C 14 59.719 59.719 58.038 1.681 25699 46 1 1 . 1 1 14 14 ARG H H 14 8.047 8.047 7.602 0.445 25699 47 1 1 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.174 -0.307 25699 48 1 1 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.492 3.626 25699 49 1 1 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.621 2.678 25699 50 1 1 . 1 1 15 15 LEU H H 15 8.048 8.048 7.152 0.896 25699 51 1 1 . 1 1 16 16 THR HA H 16 4.079 4.079 4.564 -0.485 25699 52 1 1 . 1 1 16 16 THR CA C 16 61.604 61.604 59.823 1.781 25699 53 1 1 . 1 1 16 16 THR CB C 16 66.014 66.014 71.730 -5.716 25699 54 1 1 . 1 1 16 16 THR H H 16 7.825 7.825 7.955 -0.130 25699 55 1 1 . 1 1 17 17 SER HA H 17 3.925 3.925 4.033 -0.108 25699 56 1 1 . 1 1 17 17 SER CA C 17 61.613 61.613 61.681 -0.068 25699 57 1 1 . 1 1 17 17 SER CB C 17 62.836 62.836 63.171 -0.335 25699 58 1 1 . 1 1 17 17 SER H H 17 7.824 7.824 8.696 -0.872 25699 59 1 1 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.728 0.269 25699 60 1 1 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.363 -1.213 25699 61 1 1 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.540 0.526 25699 62 1 1 . 1 1 18 18 ARG H H 18 7.580 7.580 8.569 -0.989 25699 63 1 1 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.189 0.069 25699 64 1 1 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.277 -0.780 25699 65 1 1 . 1 1 19 19 TYR H H 19 7.816 7.816 7.601 0.215 25699 66 1 1 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.798 -0.080 25699 67 1 1 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.383 -0.444 25699 68 1 1 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.971 0.038 25699 69 1 1 . 1 1 20 20 ARG H H 20 7.864 7.864 8.119 -0.255 25699 70 1 1 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.238 0.108 25699 71 1 1 . 1 1 21 21 HIS CA C 21 57.378 57.378 59.061 -1.683 25699 72 1 1 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.634 -0.974 25699 73 1 1 . 1 1 21 21 HIS H H 21 7.900 7.900 8.058 -0.158 25699 74 1 1 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.194 -0.003 25699 75 1 1 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.239 -0.386 25699 76 1 1 . 1 1 22 22 TYR H H 22 7.680 7.680 7.685 -0.005 25699 77 1 1 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.936 -0.056 25699 78 1 1 . 1 1 23 23 ALA CA C 23 53.293 53.293 53.967 -0.673 25699 79 1 1 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.558 1.038 25699 80 1 1 . 1 1 23 23 ALA H H 23 8.030 8.030 7.491 0.539 25699 81 1 1 . 1 1 24 24 ALA HA H 24 4.025 4.025 3.966 0.059 25699 82 1 1 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.978 -0.994 25699 83 1 1 . 1 1 24 24 ALA CB C 24 18.873 18.873 19.265 -0.392 25699 84 1 1 . 1 1 24 24 ALA H H 24 7.390 7.390 7.621 -0.231 25699 85 1 1 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.293 0.075 25699 86 1 1 . 1 1 25 25 PHE CA C 25 58.247 58.247 61.554 -3.307 25699 87 1 1 . 1 1 25 25 PHE CB C 25 39.360 39.360 38.930 0.430 25699 88 1 1 . 1 1 25 25 PHE H H 25 7.694 7.694 7.687 0.007 25699 89 1 1 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.102 -0.036 25699 90 1 1 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.072 -2.061 25699 91 1 1 . 1 1 26 26 GLU CB C 26 30.081 30.081 29.321 0.760 25699 92 1 1 . 1 1 26 26 GLU H H 26 8.068 8.068 8.250 -0.182 25699 93 1 1 . 1 1 27 27 ARG HA H 27 4.095 4.095 2.577 1.518 25699 94 1 1 . 1 1 27 27 ARG CA C 27 56.260 56.260 53.906 2.354 25699 95 1 1 . 1 1 27 27 ARG CB C 27 30.799 30.799 28.944 1.855 25699 96 1 1 . 1 1 27 27 ARG H H 27 7.976 7.976 7.298 0.678 25699 97 1 1 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.109 0.062 25699 98 1 1 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.229 -1.648 25699 99 1 1 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.303 1.079 25699 100 1 1 . 1 1 28 28 ALA H H 28 8.012 8.012 7.339 0.673 25699 101 1 1 . 1 1 29 29 THR HA H 29 4.112 4.112 4.178 -0.066 25699 102 1 1 . 1 1 29 29 THR CA C 29 61.661 61.661 63.451 -1.790 25699 103 1 1 . 1 1 29 29 THR CB C 29 70.032 70.032 69.194 0.838 25699 104 1 1 . 1 1 29 29 THR H H 29 7.723 7.723 8.396 -0.673 25699 105 1 2 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.637 -0.558 25699 106 1 2 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.881 0.945 25699 107 1 2 . 1 1 2 2 ALA CB C 2 21.988 21.988 21.562 0.426 25699 108 1 2 . 1 1 2 2 ALA H H 2 8.067 8.067 7.853 0.214 25699 109 1 2 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.402 -0.370 25699 110 1 2 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.293 -0.730 25699 111 1 2 . 1 1 3 3 GLU H H 3 8.592 8.592 8.636 -0.044 25699 112 1 2 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.526 -0.396 25699 113 1 2 . 1 1 4 4 LYS CA C 4 56.839 56.839 56.359 0.480 25699 114 1 2 . 1 1 4 4 LYS CB C 4 32.806 32.806 33.020 -0.214 25699 115 1 2 . 1 1 4 4 LYS H H 4 8.205 8.205 8.181 0.024 25699 116 1 2 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.098 -0.230 25699 117 1 2 . 1 1 5 5 VAL CA C 5 62.947 62.947 62.627 0.320 25699 118 1 2 . 1 1 5 5 VAL CB C 5 32.536 32.536 32.317 0.219 25699 119 1 2 . 1 1 5 5 VAL H H 5 7.807 7.807 7.586 0.221 25699 120 1 2 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.346 -0.268 25699 121 1 2 . 1 1 6 6 ALA CA C 6 53.076 53.076 54.434 -1.358 25699 122 1 2 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.681 0.326 25699 123 1 2 . 1 1 6 6 ALA H H 6 8.101 8.101 7.629 0.472 25699 124 1 2 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.129 -0.057 25699 125 1 2 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.883 0.530 25699 126 1 2 . 1 1 7 7 GLN H H 7 8.065 8.065 8.483 -0.418 25699 127 1 2 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.185 -0.105 25699 128 1 2 . 1 1 8 8 GLU CA C 8 56.439 56.439 56.778 -0.339 25699 129 1 2 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.710 -0.157 25699 130 1 2 . 1 1 8 8 GLU H H 8 8.182 8.182 7.966 0.216 25699 131 1 2 . 1 1 9 9 LYS HA H 9 4.007 4.007 3.949 0.058 25699 132 1 2 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.445 1.328 25699 133 1 2 . 1 1 9 9 LYS CB C 9 32.979 32.979 30.419 2.560 25699 134 1 2 . 1 1 9 9 LYS H H 9 8.048 8.048 8.707 -0.659 25699 135 1 2 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.252 0.310 25699 136 1 2 . 1 1 10 10 GLY H H 10 8.305 8.305 7.905 0.400 25699 137 1 2 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.402 -0.318 25699 138 1 2 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.445 0.386 25699 139 1 2 . 1 1 11 11 PHE H H 11 8.761 8.761 8.456 0.305 25699 140 1 2 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.899 -0.123 25699 141 1 2 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.510 0.603 25699 142 1 2 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.025 0.172 25699 143 1 2 . 1 1 12 12 LEU H H 12 8.728 8.728 7.998 0.730 25699 144 1 2 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.100 -0.058 25699 145 1 2 . 1 1 13 13 TYR CA C 13 61.091 61.091 60.818 0.273 25699 146 1 2 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.575 -0.719 25699 147 1 2 . 1 1 13 13 TYR H H 13 8.199 8.199 7.479 0.720 25699 148 1 2 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.690 0.084 25699 149 1 2 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.421 2.298 25699 150 1 2 . 1 1 14 14 ARG H H 14 8.047 8.047 7.445 0.602 25699 151 1 2 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.125 -0.258 25699 152 1 2 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.135 3.983 25699 153 1 2 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.653 2.646 25699 154 1 2 . 1 1 15 15 LEU H H 15 8.048 8.048 6.886 1.162 25699 155 1 2 . 1 1 16 16 THR HA H 16 4.079 4.079 4.608 -0.529 25699 156 1 2 . 1 1 16 16 THR CA C 16 61.604 61.604 59.509 2.095 25699 157 1 2 . 1 1 16 16 THR CB C 16 66.014 66.014 71.131 -5.117 25699 158 1 2 . 1 1 16 16 THR H H 16 7.825 7.825 7.931 -0.106 25699 159 1 2 . 1 1 17 17 SER HA H 17 3.925 3.925 4.184 -0.259 25699 160 1 2 . 1 1 17 17 SER CA C 17 61.613 61.613 60.845 0.768 25699 161 1 2 . 1 1 17 17 SER CB C 17 62.836 62.836 62.763 0.073 25699 162 1 2 . 1 1 17 17 SER H H 17 7.824 7.824 8.690 -0.866 25699 163 1 2 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.915 0.082 25699 164 1 2 . 1 1 18 18 ARG CA C 18 58.150 58.150 58.267 -0.117 25699 165 1 2 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.040 1.026 25699 166 1 2 . 1 1 18 18 ARG H H 18 7.580 7.580 8.169 -0.589 25699 167 1 2 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.344 -0.086 25699 168 1 2 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.755 -1.258 25699 169 1 2 . 1 1 19 19 TYR H H 19 7.816 7.816 7.536 0.280 25699 170 1 2 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.733 -0.015 25699 171 1 2 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.110 -0.171 25699 172 1 2 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.777 0.232 25699 173 1 2 . 1 1 20 20 ARG H H 20 7.864 7.864 7.694 0.170 25699 174 1 2 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.533 -0.187 25699 175 1 2 . 1 1 21 21 HIS CA C 21 57.378 57.378 57.905 -0.527 25699 176 1 2 . 1 1 21 21 HIS CB C 21 28.660 28.660 30.064 -1.404 25699 177 1 2 . 1 1 21 21 HIS H H 21 7.900 7.900 7.557 0.343 25699 178 1 2 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.429 -0.238 25699 179 1 2 . 1 1 22 22 TYR CA C 22 59.853 59.853 59.989 -0.136 25699 180 1 2 . 1 1 22 22 TYR H H 22 7.680 7.680 7.592 0.088 25699 181 1 2 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.592 -0.712 25699 182 1 2 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.306 -1.014 25699 183 1 2 . 1 1 23 23 ALA CB C 23 18.596 18.596 18.176 0.420 25699 184 1 2 . 1 1 23 23 ALA H H 23 8.030 8.030 8.575 -0.545 25699 185 1 2 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.362 -0.337 25699 186 1 2 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.022 -0.037 25699 187 1 2 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.527 0.346 25699 188 1 2 . 1 1 24 24 ALA H H 24 7.390 7.390 8.137 -0.747 25699 189 1 2 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.709 -0.341 25699 190 1 2 . 1 1 25 25 PHE CA C 25 58.247 58.247 59.267 -1.020 25699 191 1 2 . 1 1 25 25 PHE CB C 25 39.360 39.360 40.965 -1.605 25699 192 1 2 . 1 1 25 25 PHE H H 25 7.694 7.694 7.845 -0.151 25699 193 1 2 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.181 -0.115 25699 194 1 2 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.637 -2.626 25699 195 1 2 . 1 1 26 26 GLU CB C 26 30.081 30.081 30.268 -0.187 25699 196 1 2 . 1 1 26 26 GLU H H 26 8.068 8.068 8.705 -0.637 25699 197 1 2 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.494 -0.399 25699 198 1 2 . 1 1 27 27 ARG CA C 27 56.260 56.260 56.116 0.144 25699 199 1 2 . 1 1 27 27 ARG CB C 27 30.799 30.799 32.606 -1.807 25699 200 1 2 . 1 1 27 27 ARG H H 27 7.976 7.976 7.804 0.172 25699 201 1 2 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.276 -0.105 25699 202 1 2 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.493 -0.912 25699 203 1 2 . 1 1 28 28 ALA CB C 28 19.382 19.382 16.943 2.439 25699 204 1 2 . 1 1 28 28 ALA H H 28 8.012 8.012 8.489 -0.477 25699 205 1 2 . 1 1 29 29 THR HA H 29 4.112 4.112 4.056 0.056 25699 206 1 2 . 1 1 29 29 THR CA C 29 61.661 61.661 63.242 -1.581 25699 207 1 2 . 1 1 29 29 THR CB C 29 70.032 70.032 69.128 0.904 25699 208 1 2 . 1 1 29 29 THR H H 29 7.723 7.723 7.899 -0.176 25699 209 1 3 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.494 -0.415 25699 210 1 3 . 1 1 2 2 ALA CA C 2 52.826 52.826 52.333 0.493 25699 211 1 3 . 1 1 2 2 ALA CB C 2 21.988 21.988 18.805 3.183 25699 212 1 3 . 1 1 2 2 ALA H H 2 8.067 8.067 7.488 0.579 25699 213 1 3 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.308 -0.276 25699 214 1 3 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.329 -0.766 25699 215 1 3 . 1 1 3 3 GLU H H 3 8.592 8.592 8.749 -0.157 25699 216 1 3 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.166 -0.036 25699 217 1 3 . 1 1 4 4 LYS CA C 4 56.839 56.839 58.925 -2.086 25699 218 1 3 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.541 0.265 25699 219 1 3 . 1 1 4 4 LYS H H 4 8.205 8.205 8.554 -0.349 25699 220 1 3 . 1 1 5 5 VAL HA H 5 3.868 3.868 3.982 -0.114 25699 221 1 3 . 1 1 5 5 VAL CA C 5 62.947 62.947 64.584 -1.637 25699 222 1 3 . 1 1 5 5 VAL CB C 5 32.536 32.536 31.417 1.119 25699 223 1 3 . 1 1 5 5 VAL H H 5 7.807 7.807 8.244 -0.437 25699 224 1 3 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.411 -0.333 25699 225 1 3 . 1 1 6 6 ALA CA C 6 53.076 53.076 51.441 1.635 25699 226 1 3 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.297 0.710 25699 227 1 3 . 1 1 6 6 ALA H H 6 8.101 8.101 7.223 0.878 25699 228 1 3 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.311 -0.239 25699 229 1 3 . 1 1 7 7 GLN CB C 7 29.413 29.413 29.241 0.172 25699 230 1 3 . 1 1 7 7 GLN H H 7 8.065 8.065 7.985 0.080 25699 231 1 3 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.042 0.038 25699 232 1 3 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.438 -1.999 25699 233 1 3 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.706 -0.153 25699 234 1 3 . 1 1 8 8 GLU H H 8 8.182 8.182 8.057 0.125 25699 235 1 3 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.428 -0.421 25699 236 1 3 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.324 1.449 25699 237 1 3 . 1 1 9 9 LYS CB C 9 32.979 32.979 34.136 -1.157 25699 238 1 3 . 1 1 9 9 LYS H H 9 8.048 8.048 7.814 0.234 25699 239 1 3 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.387 0.175 25699 240 1 3 . 1 1 10 10 GLY H H 10 8.305 8.305 7.531 0.774 25699 241 1 3 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.618 -0.534 25699 242 1 3 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.788 0.043 25699 243 1 3 . 1 1 11 11 PHE H H 11 8.761 8.761 8.312 0.449 25699 244 1 3 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.900 -0.124 25699 245 1 3 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.652 0.460 25699 246 1 3 . 1 1 12 12 LEU CB C 12 41.197 41.197 40.762 0.435 25699 247 1 3 . 1 1 12 12 LEU H H 12 8.728 8.728 8.134 0.594 25699 248 1 3 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.007 0.035 25699 249 1 3 . 1 1 13 13 TYR CA C 13 61.091 61.091 60.978 0.113 25699 250 1 3 . 1 1 13 13 TYR CB C 13 37.856 37.856 37.959 -0.103 25699 251 1 3 . 1 1 13 13 TYR H H 13 8.199 8.199 8.266 -0.067 25699 252 1 3 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.598 0.176 25699 253 1 3 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.575 2.144 25699 254 1 3 . 1 1 14 14 ARG H H 14 8.047 8.047 7.470 0.577 25699 255 1 3 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.030 -0.163 25699 256 1 3 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.767 3.351 25699 257 1 3 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.577 2.723 25699 258 1 3 . 1 1 15 15 LEU H H 15 8.048 8.048 7.145 0.903 25699 259 1 3 . 1 1 16 16 THR HA H 16 4.079 4.079 4.463 -0.384 25699 260 1 3 . 1 1 16 16 THR CA C 16 61.604 61.604 60.192 1.412 25699 261 1 3 . 1 1 16 16 THR CB C 16 66.014 66.014 71.775 -5.761 25699 262 1 3 . 1 1 16 16 THR H H 16 7.825 7.825 7.946 -0.121 25699 263 1 3 . 1 1 17 17 SER HA H 17 3.925 3.925 4.056 -0.131 25699 264 1 3 . 1 1 17 17 SER CA C 17 61.613 61.613 61.741 -0.128 25699 265 1 3 . 1 1 17 17 SER CB C 17 62.836 62.836 63.172 -0.336 25699 266 1 3 . 1 1 17 17 SER H H 17 7.824 7.824 8.693 -0.869 25699 267 1 3 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.910 0.087 25699 268 1 3 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.200 -1.050 25699 269 1 3 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.578 0.488 25699 270 1 3 . 1 1 18 18 ARG H H 18 7.580 7.580 8.535 -0.955 25699 271 1 3 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.392 -0.134 25699 272 1 3 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.546 -1.049 25699 273 1 3 . 1 1 19 19 TYR H H 19 7.816 7.816 7.571 0.245 25699 274 1 3 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.849 -0.131 25699 275 1 3 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.550 -0.611 25699 276 1 3 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.911 0.098 25699 277 1 3 . 1 1 20 20 ARG H H 20 7.864 7.864 7.874 -0.010 25699 278 1 3 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.408 -0.062 25699 279 1 3 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.965 -1.587 25699 280 1 3 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.637 -0.977 25699 281 1 3 . 1 1 21 21 HIS H H 21 7.900 7.900 7.842 0.058 25699 282 1 3 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.455 -0.264 25699 283 1 3 . 1 1 22 22 TYR CA C 22 59.853 59.853 59.837 0.016 25699 284 1 3 . 1 1 22 22 TYR H H 22 7.680 7.680 7.433 0.247 25699 285 1 3 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.508 -0.628 25699 286 1 3 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.189 -0.896 25699 287 1 3 . 1 1 23 23 ALA CB C 23 18.596 18.596 18.097 0.499 25699 288 1 3 . 1 1 23 23 ALA H H 23 8.030 8.030 8.149 -0.119 25699 289 1 3 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.423 -0.398 25699 290 1 3 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.592 -0.607 25699 291 1 3 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.685 0.188 25699 292 1 3 . 1 1 24 24 ALA H H 24 7.390 7.390 8.038 -0.648 25699 293 1 3 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.695 -0.327 25699 294 1 3 . 1 1 25 25 PHE CA C 25 58.247 58.247 59.244 -0.997 25699 295 1 3 . 1 1 25 25 PHE CB C 25 39.360 39.360 40.949 -1.589 25699 296 1 3 . 1 1 25 25 PHE H H 25 7.694 7.694 7.827 -0.133 25699 297 1 3 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.088 -0.022 25699 298 1 3 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.507 -2.495 25699 299 1 3 . 1 1 26 26 GLU CB C 26 30.081 30.081 30.016 0.065 25699 300 1 3 . 1 1 26 26 GLU H H 26 8.068 8.068 8.643 -0.575 25699 301 1 3 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.446 -0.351 25699 302 1 3 . 1 1 27 27 ARG CA C 27 56.260 56.260 56.075 0.185 25699 303 1 3 . 1 1 27 27 ARG CB C 27 30.799 30.799 32.590 -1.791 25699 304 1 3 . 1 1 27 27 ARG H H 27 7.976 7.976 7.737 0.239 25699 305 1 3 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.277 -0.106 25699 306 1 3 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.524 -0.943 25699 307 1 3 . 1 1 28 28 ALA CB C 28 19.382 19.382 16.923 2.459 25699 308 1 3 . 1 1 28 28 ALA H H 28 8.012 8.012 8.481 -0.469 25699 309 1 3 . 1 1 29 29 THR HA H 29 4.112 4.112 4.104 0.008 25699 310 1 3 . 1 1 29 29 THR CA C 29 61.661 61.661 62.848 -1.187 25699 311 1 3 . 1 1 29 29 THR CB C 29 70.032 70.032 68.945 1.087 25699 312 1 3 . 1 1 29 29 THR H H 29 7.723 7.723 7.877 -0.154 25699 313 1 4 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.504 -0.425 25699 314 1 4 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.397 1.429 25699 315 1 4 . 1 1 2 2 ALA CB C 2 21.988 21.988 18.840 3.148 25699 316 1 4 . 1 1 2 2 ALA H H 2 8.067 8.067 7.357 0.710 25699 317 1 4 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.310 -0.278 25699 318 1 4 . 1 1 3 3 GLU CB C 3 29.563 29.563 29.035 0.528 25699 319 1 4 . 1 1 3 3 GLU H H 3 8.592 8.592 8.771 -0.179 25699 320 1 4 . 1 1 4 4 LYS HA H 4 4.130 4.130 3.990 0.140 25699 321 1 4 . 1 1 4 4 LYS CA C 4 56.839 56.839 57.367 -0.528 25699 322 1 4 . 1 1 4 4 LYS CB C 4 32.806 32.806 31.273 1.533 25699 323 1 4 . 1 1 4 4 LYS H H 4 8.205 8.205 8.415 -0.210 25699 324 1 4 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.078 -0.210 25699 325 1 4 . 1 1 5 5 VAL CA C 5 62.947 62.947 63.561 -0.614 25699 326 1 4 . 1 1 5 5 VAL CB C 5 32.536 32.536 33.117 -0.581 25699 327 1 4 . 1 1 5 5 VAL H H 5 7.807 7.807 7.793 0.014 25699 328 1 4 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.242 -0.164 25699 329 1 4 . 1 1 6 6 ALA CA C 6 53.076 53.076 54.849 -1.774 25699 330 1 4 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.601 0.406 25699 331 1 4 . 1 1 6 6 ALA H H 6 8.101 8.101 7.870 0.231 25699 332 1 4 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.095 -0.023 25699 333 1 4 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.731 0.682 25699 334 1 4 . 1 1 7 7 GLN H H 7 8.065 8.065 8.371 -0.306 25699 335 1 4 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.131 -0.051 25699 336 1 4 . 1 1 8 8 GLU CA C 8 56.439 56.439 57.060 -0.621 25699 337 1 4 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.542 0.011 25699 338 1 4 . 1 1 8 8 GLU H H 8 8.182 8.182 8.002 0.180 25699 339 1 4 . 1 1 9 9 LYS HA H 9 4.007 4.007 3.915 0.092 25699 340 1 4 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.593 1.180 25699 341 1 4 . 1 1 9 9 LYS CB C 9 32.979 32.979 30.659 2.320 25699 342 1 4 . 1 1 9 9 LYS H H 9 8.048 8.048 8.721 -0.673 25699 343 1 4 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.320 0.242 25699 344 1 4 . 1 1 10 10 GLY H H 10 8.305 8.305 7.546 0.759 25699 345 1 4 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.711 -0.627 25699 346 1 4 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.842 -0.010 25699 347 1 4 . 1 1 11 11 PHE H H 11 8.761 8.761 8.393 0.368 25699 348 1 4 . 1 1 12 12 LEU HA H 12 3.776 3.776 4.013 -0.237 25699 349 1 4 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.545 0.567 25699 350 1 4 . 1 1 12 12 LEU CB C 12 41.197 41.197 40.949 0.248 25699 351 1 4 . 1 1 12 12 LEU H H 12 8.728 8.728 8.208 0.520 25699 352 1 4 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.008 0.034 25699 353 1 4 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.169 -0.078 25699 354 1 4 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.260 -0.404 25699 355 1 4 . 1 1 13 13 TYR H H 13 8.199 8.199 7.808 0.391 25699 356 1 4 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.632 0.142 25699 357 1 4 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.540 2.179 25699 358 1 4 . 1 1 14 14 ARG H H 14 8.047 8.047 7.412 0.635 25699 359 1 4 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.056 -0.189 25699 360 1 4 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.721 3.397 25699 361 1 4 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.557 2.742 25699 362 1 4 . 1 1 15 15 LEU H H 15 8.048 8.048 7.263 0.785 25699 363 1 4 . 1 1 16 16 THR HA H 16 4.079 4.079 4.501 -0.422 25699 364 1 4 . 1 1 16 16 THR CA C 16 61.604 61.604 60.286 1.318 25699 365 1 4 . 1 1 16 16 THR CB C 16 66.014 66.014 71.293 -5.279 25699 366 1 4 . 1 1 16 16 THR H H 16 7.825 7.825 7.940 -0.115 25699 367 1 4 . 1 1 17 17 SER HA H 17 3.925 3.925 4.212 -0.287 25699 368 1 4 . 1 1 17 17 SER CA C 17 61.613 61.613 60.630 0.983 25699 369 1 4 . 1 1 17 17 SER CB C 17 62.836 62.836 62.994 -0.158 25699 370 1 4 . 1 1 17 17 SER H H 17 7.824 7.824 8.616 -0.792 25699 371 1 4 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.776 0.221 25699 372 1 4 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.116 -0.966 25699 373 1 4 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.531 0.535 25699 374 1 4 . 1 1 18 18 ARG H H 18 7.580 7.580 8.495 -0.915 25699 375 1 4 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.251 0.007 25699 376 1 4 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.673 -1.176 25699 377 1 4 . 1 1 19 19 TYR H H 19 7.816 7.816 7.533 0.283 25699 378 1 4 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.640 0.078 25699 379 1 4 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.466 -0.527 25699 380 1 4 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.857 0.152 25699 381 1 4 . 1 1 20 20 ARG H H 20 7.864 7.864 7.622 0.242 25699 382 1 4 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.393 -0.047 25699 383 1 4 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.742 -1.364 25699 384 1 4 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.584 -0.924 25699 385 1 4 . 1 1 21 21 HIS H H 21 7.900 7.900 7.859 0.041 25699 386 1 4 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.432 -0.241 25699 387 1 4 . 1 1 22 22 TYR CA C 22 59.853 59.853 59.392 0.460 25699 388 1 4 . 1 1 22 22 TYR H H 22 7.680 7.680 7.553 0.127 25699 389 1 4 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.089 -0.209 25699 390 1 4 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.305 -1.012 25699 391 1 4 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.456 1.139 25699 392 1 4 . 1 1 23 23 ALA H H 23 8.030 8.030 8.472 -0.442 25699 393 1 4 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.320 -0.295 25699 394 1 4 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.006 -0.021 25699 395 1 4 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.649 0.223 25699 396 1 4 . 1 1 24 24 ALA H H 24 7.390 7.390 7.914 -0.524 25699 397 1 4 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.680 -0.312 25699 398 1 4 . 1 1 25 25 PHE CA C 25 58.247 58.247 59.229 -0.982 25699 399 1 4 . 1 1 25 25 PHE CB C 25 39.360 39.360 40.943 -1.583 25699 400 1 4 . 1 1 25 25 PHE H H 25 7.694 7.694 7.772 -0.078 25699 401 1 4 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.149 -0.083 25699 402 1 4 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.561 -2.550 25699 403 1 4 . 1 1 26 26 GLU CB C 26 30.081 30.081 30.164 -0.083 25699 404 1 4 . 1 1 26 26 GLU H H 26 8.068 8.068 8.632 -0.564 25699 405 1 4 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.439 -0.344 25699 406 1 4 . 1 1 27 27 ARG CA C 27 56.260 56.260 56.043 0.217 25699 407 1 4 . 1 1 27 27 ARG CB C 27 30.799 30.799 32.506 -1.707 25699 408 1 4 . 1 1 27 27 ARG H H 27 7.976 7.976 7.687 0.289 25699 409 1 4 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.221 -0.050 25699 410 1 4 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.514 -0.933 25699 411 1 4 . 1 1 28 28 ALA CB C 28 19.382 19.382 16.526 2.856 25699 412 1 4 . 1 1 28 28 ALA H H 28 8.012 8.012 8.381 -0.369 25699 413 1 4 . 1 1 29 29 THR HA H 29 4.112 4.112 4.019 0.093 25699 414 1 4 . 1 1 29 29 THR CA C 29 61.661 61.661 62.852 -1.191 25699 415 1 4 . 1 1 29 29 THR CB C 29 70.032 70.032 68.991 1.041 25699 416 1 4 . 1 1 29 29 THR H H 29 7.723 7.723 7.865 -0.142 25699 417 1 5 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.548 -0.469 25699 418 1 5 . 1 1 2 2 ALA CA C 2 52.826 52.826 52.276 0.550 25699 419 1 5 . 1 1 2 2 ALA CB C 2 21.988 21.988 19.457 2.531 25699 420 1 5 . 1 1 2 2 ALA H H 2 8.067 8.067 8.043 0.024 25699 421 1 5 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.536 -0.504 25699 422 1 5 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.159 -0.596 25699 423 1 5 . 1 1 3 3 GLU H H 3 8.592 8.592 8.719 -0.127 25699 424 1 5 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.303 -0.173 25699 425 1 5 . 1 1 4 4 LYS CA C 4 56.839 56.839 57.648 -0.809 25699 426 1 5 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.944 -0.138 25699 427 1 5 . 1 1 4 4 LYS H H 4 8.205 8.205 8.012 0.193 25699 428 1 5 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.237 -0.369 25699 429 1 5 . 1 1 5 5 VAL CA C 5 62.947 62.947 62.187 0.760 25699 430 1 5 . 1 1 5 5 VAL CB C 5 32.536 32.536 32.581 -0.045 25699 431 1 5 . 1 1 5 5 VAL H H 5 7.807 7.807 7.804 0.003 25699 432 1 5 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.259 -0.181 25699 433 1 5 . 1 1 6 6 ALA CA C 6 53.076 53.076 52.489 0.587 25699 434 1 5 . 1 1 6 6 ALA CB C 6 19.007 19.007 19.082 -0.075 25699 435 1 5 . 1 1 6 6 ALA H H 6 8.101 8.101 7.837 0.264 25699 436 1 5 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.036 0.036 25699 437 1 5 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.210 1.203 25699 438 1 5 . 1 1 7 7 GLN H H 7 8.065 8.065 9.074 -1.009 25699 439 1 5 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.429 -0.349 25699 440 1 5 . 1 1 8 8 GLU CA C 8 56.439 56.439 57.152 -0.713 25699 441 1 5 . 1 1 8 8 GLU CB C 8 29.553 29.553 30.388 -0.835 25699 442 1 5 . 1 1 8 8 GLU H H 8 8.182 8.182 7.896 0.286 25699 443 1 5 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.025 -0.018 25699 444 1 5 . 1 1 9 9 LYS CA C 9 57.773 57.773 57.077 0.696 25699 445 1 5 . 1 1 9 9 LYS CB C 9 32.979 32.979 32.798 0.181 25699 446 1 5 . 1 1 9 9 LYS H H 9 8.048 8.048 7.988 0.060 25699 447 1 5 . 1 1 10 10 GLY CA C 10 45.562 45.562 44.626 0.936 25699 448 1 5 . 1 1 10 10 GLY H H 10 8.305 8.305 7.427 0.878 25699 449 1 5 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.552 -0.468 25699 450 1 5 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.388 0.443 25699 451 1 5 . 1 1 11 11 PHE H H 11 8.761 8.761 8.546 0.215 25699 452 1 5 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.742 0.034 25699 453 1 5 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.011 1.101 25699 454 1 5 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.019 0.178 25699 455 1 5 . 1 1 12 12 LEU H H 12 8.728 8.728 8.034 0.694 25699 456 1 5 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.129 -0.087 25699 457 1 5 . 1 1 13 13 TYR CA C 13 61.091 61.091 60.587 0.504 25699 458 1 5 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.065 -0.209 25699 459 1 5 . 1 1 13 13 TYR H H 13 8.199 8.199 7.729 0.470 25699 460 1 5 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.458 0.316 25699 461 1 5 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.646 2.073 25699 462 1 5 . 1 1 14 14 ARG H H 14 8.047 8.047 7.609 0.438 25699 463 1 5 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.137 -0.270 25699 464 1 5 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.764 3.354 25699 465 1 5 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.448 2.851 25699 466 1 5 . 1 1 15 15 LEU H H 15 8.048 8.048 7.147 0.901 25699 467 1 5 . 1 1 16 16 THR HA H 16 4.079 4.079 4.576 -0.497 25699 468 1 5 . 1 1 16 16 THR CA C 16 61.604 61.604 59.804 1.800 25699 469 1 5 . 1 1 16 16 THR CB C 16 66.014 66.014 71.796 -5.782 25699 470 1 5 . 1 1 16 16 THR H H 16 7.825 7.825 8.101 -0.276 25699 471 1 5 . 1 1 17 17 SER HA H 17 3.925 3.925 4.186 -0.261 25699 472 1 5 . 1 1 17 17 SER CA C 17 61.613 61.613 61.019 0.594 25699 473 1 5 . 1 1 17 17 SER CB C 17 62.836 62.836 62.991 -0.155 25699 474 1 5 . 1 1 17 17 SER H H 17 7.824 7.824 8.865 -1.041 25699 475 1 5 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.890 0.107 25699 476 1 5 . 1 1 18 18 ARG CA C 18 58.150 58.150 58.010 0.140 25699 477 1 5 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.070 0.996 25699 478 1 5 . 1 1 18 18 ARG H H 18 7.580 7.580 8.122 -0.542 25699 479 1 5 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.312 -0.054 25699 480 1 5 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.751 -1.254 25699 481 1 5 . 1 1 19 19 TYR H H 19 7.816 7.816 7.587 0.229 25699 482 1 5 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.728 -0.010 25699 483 1 5 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.335 -0.396 25699 484 1 5 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.915 0.094 25699 485 1 5 . 1 1 20 20 ARG H H 20 7.864 7.864 7.870 -0.006 25699 486 1 5 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.452 -0.106 25699 487 1 5 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.349 -0.971 25699 488 1 5 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.887 -1.227 25699 489 1 5 . 1 1 21 21 HIS H H 21 7.900 7.900 7.547 0.353 25699 490 1 5 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.363 -0.172 25699 491 1 5 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.096 -0.243 25699 492 1 5 . 1 1 22 22 TYR H H 22 7.680 7.680 7.786 -0.106 25699 493 1 5 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.315 -0.435 25699 494 1 5 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.535 -1.242 25699 495 1 5 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.550 1.046 25699 496 1 5 . 1 1 23 23 ALA H H 23 8.030 8.030 8.600 -0.570 25699 497 1 5 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.354 -0.329 25699 498 1 5 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.520 -0.535 25699 499 1 5 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.557 0.316 25699 500 1 5 . 1 1 24 24 ALA H H 24 7.390 7.390 8.019 -0.629 25699 501 1 5 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.625 -0.257 25699 502 1 5 . 1 1 25 25 PHE CA C 25 58.247 58.247 59.170 -0.923 25699 503 1 5 . 1 1 25 25 PHE CB C 25 39.360 39.360 40.821 -1.461 25699 504 1 5 . 1 1 25 25 PHE H H 25 7.694 7.694 7.755 -0.061 25699 505 1 5 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.169 -0.103 25699 506 1 5 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.655 -2.644 25699 507 1 5 . 1 1 26 26 GLU CB C 26 30.081 30.081 30.204 -0.123 25699 508 1 5 . 1 1 26 26 GLU H H 26 8.068 8.068 8.652 -0.584 25699 509 1 5 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.424 -0.329 25699 510 1 5 . 1 1 27 27 ARG CA C 27 56.260 56.260 56.316 -0.056 25699 511 1 5 . 1 1 27 27 ARG CB C 27 30.799 30.799 32.606 -1.807 25699 512 1 5 . 1 1 27 27 ARG H H 27 7.976 7.976 7.744 0.232 25699 513 1 5 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.224 -0.053 25699 514 1 5 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.459 -0.878 25699 515 1 5 . 1 1 28 28 ALA CB C 28 19.382 19.382 16.969 2.413 25699 516 1 5 . 1 1 28 28 ALA H H 28 8.012 8.012 8.417 -0.405 25699 517 1 5 . 1 1 29 29 THR HA H 29 4.112 4.112 4.076 0.036 25699 518 1 5 . 1 1 29 29 THR CA C 29 61.661 61.661 62.843 -1.181 25699 519 1 5 . 1 1 29 29 THR CB C 29 70.032 70.032 68.907 1.125 25699 520 1 5 . 1 1 29 29 THR H H 29 7.723 7.723 7.838 -0.115 25699 521 1 6 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.922 -0.843 25699 522 1 6 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.679 1.147 25699 523 1 6 . 1 1 2 2 ALA CB C 2 21.988 21.988 19.226 2.762 25699 524 1 6 . 1 1 2 2 ALA H H 2 8.067 8.067 7.894 0.173 25699 525 1 6 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.336 -0.304 25699 526 1 6 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.068 -0.505 25699 527 1 6 . 1 1 3 3 GLU H H 3 8.592 8.592 8.933 -0.341 25699 528 1 6 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.304 -0.174 25699 529 1 6 . 1 1 4 4 LYS CA C 4 56.839 56.839 57.090 -0.251 25699 530 1 6 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.620 0.186 25699 531 1 6 . 1 1 4 4 LYS H H 4 8.205 8.205 8.172 0.033 25699 532 1 6 . 1 1 5 5 VAL HA H 5 3.868 3.868 3.742 0.126 25699 533 1 6 . 1 1 5 5 VAL CA C 5 62.947 62.947 64.453 -1.506 25699 534 1 6 . 1 1 5 5 VAL CB C 5 32.536 32.536 31.984 0.552 25699 535 1 6 . 1 1 5 5 VAL H H 5 7.807 7.807 8.364 -0.557 25699 536 1 6 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.493 -0.415 25699 537 1 6 . 1 1 6 6 ALA CA C 6 53.076 53.076 51.711 1.365 25699 538 1 6 . 1 1 6 6 ALA CB C 6 19.007 19.007 17.945 1.062 25699 539 1 6 . 1 1 6 6 ALA H H 6 8.101 8.101 7.689 0.412 25699 540 1 6 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.351 -0.279 25699 541 1 6 . 1 1 7 7 GLN CB C 7 29.413 29.413 29.755 -0.342 25699 542 1 6 . 1 1 7 7 GLN H H 7 8.065 8.065 7.463 0.602 25699 543 1 6 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.043 0.037 25699 544 1 6 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.689 -2.250 25699 545 1 6 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.609 -0.056 25699 546 1 6 . 1 1 8 8 GLU H H 8 8.182 8.182 7.922 0.260 25699 547 1 6 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.402 -0.395 25699 548 1 6 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.493 1.280 25699 549 1 6 . 1 1 9 9 LYS CB C 9 32.979 32.979 32.955 0.024 25699 550 1 6 . 1 1 9 9 LYS H H 9 8.048 8.048 7.835 0.213 25699 551 1 6 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.052 0.510 25699 552 1 6 . 1 1 10 10 GLY H H 10 8.305 8.305 7.503 0.802 25699 553 1 6 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.709 -0.625 25699 554 1 6 . 1 1 11 11 PHE CB C 11 39.831 39.831 40.076 -0.245 25699 555 1 6 . 1 1 11 11 PHE H H 11 8.761 8.761 8.342 0.419 25699 556 1 6 . 1 1 12 12 LEU HA H 12 3.776 3.776 4.096 -0.320 25699 557 1 6 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.560 0.552 25699 558 1 6 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.090 0.107 25699 559 1 6 . 1 1 12 12 LEU H H 12 8.728 8.728 8.271 0.457 25699 560 1 6 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.086 -0.044 25699 561 1 6 . 1 1 13 13 TYR CA C 13 61.091 61.091 60.592 0.499 25699 562 1 6 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.054 -0.198 25699 563 1 6 . 1 1 13 13 TYR H H 13 8.199 8.199 8.085 0.114 25699 564 1 6 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.738 0.036 25699 565 1 6 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.336 2.384 25699 566 1 6 . 1 1 14 14 ARG H H 14 8.047 8.047 7.550 0.497 25699 567 1 6 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.085 -0.218 25699 568 1 6 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.611 3.507 25699 569 1 6 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.728 2.571 25699 570 1 6 . 1 1 15 15 LEU H H 15 8.048 8.048 7.420 0.628 25699 571 1 6 . 1 1 16 16 THR HA H 16 4.079 4.079 4.579 -0.500 25699 572 1 6 . 1 1 16 16 THR CA C 16 61.604 61.604 60.309 1.295 25699 573 1 6 . 1 1 16 16 THR CB C 16 66.014 66.014 71.433 -5.419 25699 574 1 6 . 1 1 16 16 THR H H 16 7.825 7.825 7.964 -0.139 25699 575 1 6 . 1 1 17 17 SER HA H 17 3.925 3.925 4.364 -0.439 25699 576 1 6 . 1 1 17 17 SER CA C 17 61.613 61.613 60.537 1.076 25699 577 1 6 . 1 1 17 17 SER CB C 17 62.836 62.836 62.975 -0.139 25699 578 1 6 . 1 1 17 17 SER H H 17 7.824 7.824 8.661 -0.837 25699 579 1 6 . 1 1 18 18 ARG HA H 18 3.997 3.997 4.020 -0.023 25699 580 1 6 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.246 -1.096 25699 581 1 6 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.759 0.307 25699 582 1 6 . 1 1 18 18 ARG H H 18 7.580 7.580 8.469 -0.889 25699 583 1 6 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.388 -0.130 25699 584 1 6 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.629 -1.132 25699 585 1 6 . 1 1 19 19 TYR H H 19 7.816 7.816 7.785 0.031 25699 586 1 6 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.785 -0.067 25699 587 1 6 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.593 -0.654 25699 588 1 6 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.184 0.825 25699 589 1 6 . 1 1 20 20 ARG H H 20 7.864 7.864 7.634 0.230 25699 590 1 6 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.559 -0.213 25699 591 1 6 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.869 -1.491 25699 592 1 6 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.035 -0.375 25699 593 1 6 . 1 1 21 21 HIS H H 21 7.900 7.900 7.523 0.377 25699 594 1 6 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.264 -0.073 25699 595 1 6 . 1 1 22 22 TYR CA C 22 59.853 59.853 59.777 0.076 25699 596 1 6 . 1 1 22 22 TYR H H 22 7.680 7.680 7.711 -0.031 25699 597 1 6 . 1 1 23 23 ALA HA H 23 3.880 3.880 5.038 -1.158 25699 598 1 6 . 1 1 23 23 ALA CA C 23 53.293 53.293 51.824 1.469 25699 599 1 6 . 1 1 23 23 ALA CB C 23 18.596 18.596 19.096 -0.500 25699 600 1 6 . 1 1 23 23 ALA H H 23 8.030 8.030 7.752 0.278 25699 601 1 6 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.468 -0.443 25699 602 1 6 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.413 -0.428 25699 603 1 6 . 1 1 24 24 ALA CB C 24 18.873 18.873 19.375 -0.502 25699 604 1 6 . 1 1 24 24 ALA H H 24 7.390 7.390 7.944 -0.554 25699 605 1 6 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.638 -0.270 25699 606 1 6 . 1 1 25 25 PHE CA C 25 58.247 58.247 58.881 -0.634 25699 607 1 6 . 1 1 25 25 PHE CB C 25 39.360 39.360 40.067 -0.707 25699 608 1 6 . 1 1 25 25 PHE H H 25 7.694 7.694 7.874 -0.180 25699 609 1 6 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.099 -0.033 25699 610 1 6 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.365 -2.354 25699 611 1 6 . 1 1 26 26 GLU CB C 26 30.081 30.081 29.607 0.474 25699 612 1 6 . 1 1 26 26 GLU H H 26 8.068 8.068 8.759 -0.691 25699 613 1 6 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.395 -0.300 25699 614 1 6 . 1 1 27 27 ARG CA C 27 56.260 56.260 56.246 0.014 25699 615 1 6 . 1 1 27 27 ARG CB C 27 30.799 30.799 32.185 -1.386 25699 616 1 6 . 1 1 27 27 ARG H H 27 7.976 7.976 8.073 -0.097 25699 617 1 6 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.302 -0.131 25699 618 1 6 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.332 -0.751 25699 619 1 6 . 1 1 28 28 ALA CB C 28 19.382 19.382 16.962 2.420 25699 620 1 6 . 1 1 28 28 ALA H H 28 8.012 8.012 8.057 -0.045 25699 621 1 6 . 1 1 29 29 THR HA H 29 4.112 4.112 4.103 0.009 25699 622 1 6 . 1 1 29 29 THR CA C 29 61.661 61.661 62.858 -1.198 25699 623 1 6 . 1 1 29 29 THR CB C 29 70.032 70.032 68.893 1.139 25699 624 1 6 . 1 1 29 29 THR H H 29 7.723 7.723 7.747 -0.024 25699 625 1 7 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.493 -0.414 25699 626 1 7 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.348 1.478 25699 627 1 7 . 1 1 2 2 ALA CB C 2 21.988 21.988 17.764 4.224 25699 628 1 7 . 1 1 2 2 ALA H H 2 8.067 8.067 7.521 0.546 25699 629 1 7 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.369 -0.337 25699 630 1 7 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.530 -0.967 25699 631 1 7 . 1 1 3 3 GLU H H 3 8.592 8.592 8.277 0.315 25699 632 1 7 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.239 -0.109 25699 633 1 7 . 1 1 4 4 LYS CA C 4 56.839 56.839 58.082 -1.243 25699 634 1 7 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.977 -0.171 25699 635 1 7 . 1 1 4 4 LYS H H 4 8.205 8.205 8.276 -0.071 25699 636 1 7 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.334 -0.466 25699 637 1 7 . 1 1 5 5 VAL CA C 5 62.947 62.947 60.895 2.051 25699 638 1 7 . 1 1 5 5 VAL CB C 5 32.536 32.536 30.803 1.733 25699 639 1 7 . 1 1 5 5 VAL H H 5 7.807 7.807 7.978 -0.171 25699 640 1 7 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.640 -0.562 25699 641 1 7 . 1 1 6 6 ALA CA C 6 53.076 53.076 52.777 0.299 25699 642 1 7 . 1 1 6 6 ALA CB C 6 19.007 19.007 20.963 -1.956 25699 643 1 7 . 1 1 6 6 ALA H H 6 8.101 8.101 7.708 0.393 25699 644 1 7 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.027 0.045 25699 645 1 7 . 1 1 7 7 GLN CB C 7 29.413 29.413 27.934 1.479 25699 646 1 7 . 1 1 7 7 GLN H H 7 8.065 8.065 8.271 -0.206 25699 647 1 7 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.022 0.058 25699 648 1 7 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.295 -1.856 25699 649 1 7 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.442 0.111 25699 650 1 7 . 1 1 8 8 GLU H H 8 8.182 8.182 8.468 -0.286 25699 651 1 7 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.337 -0.330 25699 652 1 7 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.091 1.682 25699 653 1 7 . 1 1 9 9 LYS CB C 9 32.979 32.979 35.560 -2.581 25699 654 1 7 . 1 1 9 9 LYS H H 9 8.048 8.048 7.449 0.599 25699 655 1 7 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.676 -0.114 25699 656 1 7 . 1 1 10 10 GLY H H 10 8.305 8.305 7.599 0.706 25699 657 1 7 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.715 -0.631 25699 658 1 7 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.768 0.063 25699 659 1 7 . 1 1 11 11 PHE H H 11 8.761 8.761 8.391 0.370 25699 660 1 7 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.810 -0.034 25699 661 1 7 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.335 0.777 25699 662 1 7 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.109 0.088 25699 663 1 7 . 1 1 12 12 LEU H H 12 8.728 8.728 7.999 0.729 25699 664 1 7 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.027 0.015 25699 665 1 7 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.214 -0.123 25699 666 1 7 . 1 1 13 13 TYR CB C 13 37.856 37.856 37.970 -0.114 25699 667 1 7 . 1 1 13 13 TYR H H 13 8.199 8.199 8.175 0.024 25699 668 1 7 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.586 0.188 25699 669 1 7 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.662 2.057 25699 670 1 7 . 1 1 14 14 ARG H H 14 8.047 8.047 7.496 0.551 25699 671 1 7 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.011 -0.144 25699 672 1 7 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.570 3.548 25699 673 1 7 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.495 2.804 25699 674 1 7 . 1 1 15 15 LEU H H 15 8.048 8.048 7.076 0.972 25699 675 1 7 . 1 1 16 16 THR HA H 16 4.079 4.079 4.499 -0.420 25699 676 1 7 . 1 1 16 16 THR CA C 16 61.604 61.604 60.017 1.587 25699 677 1 7 . 1 1 16 16 THR CB C 16 66.014 66.014 71.885 -5.871 25699 678 1 7 . 1 1 16 16 THR H H 16 7.825 7.825 7.959 -0.134 25699 679 1 7 . 1 1 17 17 SER HA H 17 3.925 3.925 3.951 -0.026 25699 680 1 7 . 1 1 17 17 SER CA C 17 61.613 61.613 61.297 0.316 25699 681 1 7 . 1 1 17 17 SER CB C 17 62.836 62.836 62.937 -0.101 25699 682 1 7 . 1 1 17 17 SER H H 17 7.824 7.824 8.713 -0.889 25699 683 1 7 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.662 0.335 25699 684 1 7 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.106 -0.956 25699 685 1 7 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.402 0.664 25699 686 1 7 . 1 1 18 18 ARG H H 18 7.580 7.580 8.466 -0.886 25699 687 1 7 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.320 -0.062 25699 688 1 7 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.376 -0.879 25699 689 1 7 . 1 1 19 19 TYR H H 19 7.816 7.816 7.412 0.404 25699 690 1 7 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.780 -0.062 25699 691 1 7 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.569 -0.630 25699 692 1 7 . 1 1 20 20 ARG CB C 20 30.009 30.009 30.055 -0.046 25699 693 1 7 . 1 1 20 20 ARG H H 20 7.864 7.864 8.068 -0.204 25699 694 1 7 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.003 0.343 25699 695 1 7 . 1 1 21 21 HIS CA C 21 57.378 57.378 57.589 -0.211 25699 696 1 7 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.785 -1.125 25699 697 1 7 . 1 1 21 21 HIS H H 21 7.900 7.900 7.801 0.099 25699 698 1 7 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.227 -0.036 25699 699 1 7 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.795 -0.942 25699 700 1 7 . 1 1 22 22 TYR H H 22 7.680 7.680 7.717 -0.037 25699 701 1 7 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.439 -0.559 25699 702 1 7 . 1 1 23 23 ALA CA C 23 53.293 53.293 53.546 -0.253 25699 703 1 7 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.796 0.800 25699 704 1 7 . 1 1 23 23 ALA H H 23 8.030 8.030 7.989 0.041 25699 705 1 7 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.202 -0.177 25699 706 1 7 . 1 1 24 24 ALA CA C 24 52.985 52.985 52.829 0.156 25699 707 1 7 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.671 0.202 25699 708 1 7 . 1 1 24 24 ALA H H 24 7.390 7.390 7.585 -0.195 25699 709 1 7 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.762 -0.394 25699 710 1 7 . 1 1 25 25 PHE CA C 25 58.247 58.247 57.974 0.274 25699 711 1 7 . 1 1 25 25 PHE CB C 25 39.360 39.360 39.891 -0.531 25699 712 1 7 . 1 1 25 25 PHE H H 25 7.694 7.694 7.511 0.183 25699 713 1 7 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.021 0.045 25699 714 1 7 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.469 -2.458 25699 715 1 7 . 1 1 26 26 GLU CB C 26 30.081 30.081 29.838 0.243 25699 716 1 7 . 1 1 26 26 GLU H H 26 8.068 8.068 8.598 -0.530 25699 717 1 7 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.415 -0.320 25699 718 1 7 . 1 1 27 27 ARG CA C 27 56.260 56.260 56.204 0.056 25699 719 1 7 . 1 1 27 27 ARG CB C 27 30.799 30.799 32.463 -1.664 25699 720 1 7 . 1 1 27 27 ARG H H 27 7.976 7.976 7.813 0.163 25699 721 1 7 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.239 -0.068 25699 722 1 7 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.474 -0.893 25699 723 1 7 . 1 1 28 28 ALA CB C 28 19.382 19.382 16.906 2.476 25699 724 1 7 . 1 1 28 28 ALA H H 28 8.012 8.012 8.254 -0.242 25699 725 1 7 . 1 1 29 29 THR HA H 29 4.112 4.112 4.096 0.016 25699 726 1 7 . 1 1 29 29 THR CA C 29 61.661 61.661 62.930 -1.269 25699 727 1 7 . 1 1 29 29 THR CB C 29 70.032 70.032 68.909 1.123 25699 728 1 7 . 1 1 29 29 THR H H 29 7.723 7.723 7.817 -0.094 25699 729 1 8 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.716 -0.637 25699 730 1 8 . 1 1 2 2 ALA CA C 2 52.826 52.826 52.037 0.789 25699 731 1 8 . 1 1 2 2 ALA CB C 2 21.988 21.988 20.285 1.703 25699 732 1 8 . 1 1 2 2 ALA H H 2 8.067 8.067 7.783 0.284 25699 733 1 8 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.490 -0.458 25699 734 1 8 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.526 -0.963 25699 735 1 8 . 1 1 3 3 GLU H H 3 8.592 8.592 8.909 -0.317 25699 736 1 8 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.349 -0.219 25699 737 1 8 . 1 1 4 4 LYS CA C 4 56.839 56.839 57.410 -0.570 25699 738 1 8 . 1 1 4 4 LYS CB C 4 32.806 32.806 33.157 -0.351 25699 739 1 8 . 1 1 4 4 LYS H H 4 8.205 8.205 8.397 -0.192 25699 740 1 8 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.047 -0.179 25699 741 1 8 . 1 1 5 5 VAL CA C 5 62.947 62.947 61.348 1.599 25699 742 1 8 . 1 1 5 5 VAL CB C 5 32.536 32.536 29.596 2.941 25699 743 1 8 . 1 1 5 5 VAL H H 5 7.807 7.807 8.325 -0.518 25699 744 1 8 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.381 -0.303 25699 745 1 8 . 1 1 6 6 ALA CA C 6 53.076 53.076 53.429 -0.353 25699 746 1 8 . 1 1 6 6 ALA CB C 6 19.007 19.007 20.469 -1.462 25699 747 1 8 . 1 1 6 6 ALA H H 6 8.101 8.101 7.119 0.982 25699 748 1 8 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.212 -0.140 25699 749 1 8 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.567 0.846 25699 750 1 8 . 1 1 7 7 GLN H H 7 8.065 8.065 8.200 -0.135 25699 751 1 8 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.003 0.077 25699 752 1 8 . 1 1 8 8 GLU CA C 8 56.439 56.439 57.295 -0.856 25699 753 1 8 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.513 0.040 25699 754 1 8 . 1 1 8 8 GLU H H 8 8.182 8.182 7.403 0.779 25699 755 1 8 . 1 1 9 9 LYS HA H 9 4.007 4.007 3.964 0.043 25699 756 1 8 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.752 1.021 25699 757 1 8 . 1 1 9 9 LYS CB C 9 32.979 32.979 31.152 1.827 25699 758 1 8 . 1 1 9 9 LYS H H 9 8.048 8.048 8.812 -0.764 25699 759 1 8 . 1 1 10 10 GLY CA C 10 45.562 45.562 44.702 0.860 25699 760 1 8 . 1 1 10 10 GLY H H 10 8.305 8.305 7.583 0.722 25699 761 1 8 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.273 -0.189 25699 762 1 8 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.523 0.308 25699 763 1 8 . 1 1 11 11 PHE H H 11 8.761 8.761 8.707 0.054 25699 764 1 8 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.951 -0.175 25699 765 1 8 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.409 0.703 25699 766 1 8 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.079 0.118 25699 767 1 8 . 1 1 12 12 LEU H H 12 8.728 8.728 7.794 0.934 25699 768 1 8 . 1 1 13 13 TYR HA H 13 4.042 4.042 3.907 0.135 25699 769 1 8 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.871 -0.780 25699 770 1 8 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.322 -0.466 25699 771 1 8 . 1 1 13 13 TYR H H 13 8.199 8.199 7.587 0.612 25699 772 1 8 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.624 0.150 25699 773 1 8 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.996 1.723 25699 774 1 8 . 1 1 14 14 ARG H H 14 8.047 8.047 7.499 0.548 25699 775 1 8 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.111 -0.244 25699 776 1 8 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.492 3.626 25699 777 1 8 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.629 2.670 25699 778 1 8 . 1 1 15 15 LEU H H 15 8.048 8.048 7.428 0.620 25699 779 1 8 . 1 1 16 16 THR HA H 16 4.079 4.079 4.492 -0.413 25699 780 1 8 . 1 1 16 16 THR CA C 16 61.604 61.604 59.620 1.984 25699 781 1 8 . 1 1 16 16 THR CB C 16 66.014 66.014 71.217 -5.203 25699 782 1 8 . 1 1 16 16 THR H H 16 7.825 7.825 7.921 -0.096 25699 783 1 8 . 1 1 17 17 SER HA H 17 3.925 3.925 4.315 -0.390 25699 784 1 8 . 1 1 17 17 SER CA C 17 61.613 61.613 60.146 1.467 25699 785 1 8 . 1 1 17 17 SER CB C 17 62.836 62.836 62.879 -0.043 25699 786 1 8 . 1 1 17 17 SER H H 17 7.824 7.824 8.648 -0.824 25699 787 1 8 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.856 0.141 25699 788 1 8 . 1 1 18 18 ARG CA C 18 58.150 58.150 58.014 0.136 25699 789 1 8 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.112 0.954 25699 790 1 8 . 1 1 18 18 ARG H H 18 7.580 7.580 8.428 -0.848 25699 791 1 8 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.325 -0.067 25699 792 1 8 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.869 -1.372 25699 793 1 8 . 1 1 19 19 TYR H H 19 7.816 7.816 7.592 0.224 25699 794 1 8 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.805 -0.087 25699 795 1 8 . 1 1 20 20 ARG CA C 20 58.939 58.939 58.930 0.009 25699 796 1 8 . 1 1 20 20 ARG CB C 20 30.009 30.009 30.075 -0.066 25699 797 1 8 . 1 1 20 20 ARG H H 20 7.864 7.864 7.543 0.321 25699 798 1 8 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.172 0.174 25699 799 1 8 . 1 1 21 21 HIS CA C 21 57.378 57.378 57.682 -0.304 25699 800 1 8 . 1 1 21 21 HIS CB C 21 28.660 28.660 30.183 -1.523 25699 801 1 8 . 1 1 21 21 HIS H H 21 7.900 7.900 7.495 0.405 25699 802 1 8 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.146 0.045 25699 803 1 8 . 1 1 22 22 TYR CA C 22 59.853 59.853 61.386 -1.533 25699 804 1 8 . 1 1 22 22 TYR H H 22 7.680 7.680 8.618 -0.938 25699 805 1 8 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.343 -0.463 25699 806 1 8 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.015 -0.722 25699 807 1 8 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.398 1.198 25699 808 1 8 . 1 1 23 23 ALA H H 23 8.030 8.030 8.242 -0.212 25699 809 1 8 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.253 -0.228 25699 810 1 8 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.282 -0.297 25699 811 1 8 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.660 0.212 25699 812 1 8 . 1 1 24 24 ALA H H 24 7.390 7.390 7.572 -0.182 25699 813 1 8 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.755 -0.387 25699 814 1 8 . 1 1 25 25 PHE CA C 25 58.247 58.247 57.963 0.284 25699 815 1 8 . 1 1 25 25 PHE CB C 25 39.360 39.360 39.886 -0.526 25699 816 1 8 . 1 1 25 25 PHE H H 25 7.694 7.694 7.491 0.203 25699 817 1 8 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.053 0.013 25699 818 1 8 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.513 -2.502 25699 819 1 8 . 1 1 26 26 GLU CB C 26 30.081 30.081 29.900 0.181 25699 820 1 8 . 1 1 26 26 GLU H H 26 8.068 8.068 8.470 -0.402 25699 821 1 8 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.429 -0.334 25699 822 1 8 . 1 1 27 27 ARG CA C 27 56.260 56.260 56.245 0.015 25699 823 1 8 . 1 1 27 27 ARG CB C 27 30.799 30.799 32.454 -1.655 25699 824 1 8 . 1 1 27 27 ARG H H 27 7.976 7.976 7.857 0.119 25699 825 1 8 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.248 -0.077 25699 826 1 8 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.435 -0.855 25699 827 1 8 . 1 1 28 28 ALA CB C 28 19.382 19.382 16.919 2.463 25699 828 1 8 . 1 1 28 28 ALA H H 28 8.012 8.012 8.223 -0.211 25699 829 1 8 . 1 1 29 29 THR HA H 29 4.112 4.112 4.056 0.056 25699 830 1 8 . 1 1 29 29 THR CA C 29 61.661 61.661 63.328 -1.667 25699 831 1 8 . 1 1 29 29 THR CB C 29 70.032 70.032 69.082 0.950 25699 832 1 8 . 1 1 29 29 THR H H 29 7.723 7.723 7.851 -0.128 25699 833 1 9 . 1 1 2 2 ALA HA H 2 4.079 4.079 3.750 0.329 25699 834 1 9 . 1 1 2 2 ALA CA C 2 52.826 52.826 53.575 -0.749 25699 835 1 9 . 1 1 2 2 ALA CB C 2 21.988 21.988 17.410 4.578 25699 836 1 9 . 1 1 2 2 ALA H H 2 8.067 8.067 7.994 0.073 25699 837 1 9 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.321 -0.289 25699 838 1 9 . 1 1 3 3 GLU CB C 3 29.563 29.563 29.558 0.005 25699 839 1 9 . 1 1 3 3 GLU H H 3 8.592 8.592 8.049 0.543 25699 840 1 9 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.102 0.028 25699 841 1 9 . 1 1 4 4 LYS CA C 4 56.839 56.839 56.736 0.103 25699 842 1 9 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.182 0.624 25699 843 1 9 . 1 1 4 4 LYS H H 4 8.205 8.205 8.024 0.181 25699 844 1 9 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.084 -0.216 25699 845 1 9 . 1 1 5 5 VAL CA C 5 62.947 62.947 63.701 -0.754 25699 846 1 9 . 1 1 5 5 VAL CB C 5 32.536 32.536 32.552 -0.016 25699 847 1 9 . 1 1 5 5 VAL H H 5 7.807 7.807 7.786 0.021 25699 848 1 9 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.346 -0.268 25699 849 1 9 . 1 1 6 6 ALA CA C 6 53.076 53.076 54.579 -1.503 25699 850 1 9 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.697 0.310 25699 851 1 9 . 1 1 6 6 ALA H H 6 8.101 8.101 7.817 0.284 25699 852 1 9 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.120 -0.048 25699 853 1 9 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.401 1.012 25699 854 1 9 . 1 1 7 7 GLN H H 7 8.065 8.065 8.483 -0.418 25699 855 1 9 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.341 -0.261 25699 856 1 9 . 1 1 8 8 GLU CA C 8 56.439 56.439 55.538 0.901 25699 857 1 9 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.879 -0.326 25699 858 1 9 . 1 1 8 8 GLU H H 8 8.182 8.182 7.774 0.408 25699 859 1 9 . 1 1 9 9 LYS HA H 9 4.007 4.007 3.973 0.034 25699 860 1 9 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.582 1.191 25699 861 1 9 . 1 1 9 9 LYS CB C 9 32.979 32.979 30.435 2.544 25699 862 1 9 . 1 1 9 9 LYS H H 9 8.048 8.048 8.721 -0.673 25699 863 1 9 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.202 0.360 25699 864 1 9 . 1 1 10 10 GLY H H 10 8.305 8.305 7.927 0.378 25699 865 1 9 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.705 -0.621 25699 866 1 9 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.774 0.057 25699 867 1 9 . 1 1 11 11 PHE H H 11 8.761 8.761 8.395 0.366 25699 868 1 9 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.918 -0.142 25699 869 1 9 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.556 0.556 25699 870 1 9 . 1 1 12 12 LEU CB C 12 41.197 41.197 40.936 0.261 25699 871 1 9 . 1 1 12 12 LEU H H 12 8.728 8.728 8.199 0.529 25699 872 1 9 . 1 1 13 13 TYR HA H 13 4.042 4.042 3.972 0.070 25699 873 1 9 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.508 -0.417 25699 874 1 9 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.128 -0.272 25699 875 1 9 . 1 1 13 13 TYR H H 13 8.199 8.199 7.829 0.370 25699 876 1 9 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.676 0.098 25699 877 1 9 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.950 1.769 25699 878 1 9 . 1 1 14 14 ARG H H 14 8.047 8.047 7.606 0.441 25699 879 1 9 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.150 -0.283 25699 880 1 9 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.635 3.483 25699 881 1 9 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.672 2.627 25699 882 1 9 . 1 1 15 15 LEU H H 15 8.048 8.048 7.181 0.867 25699 883 1 9 . 1 1 16 16 THR HA H 16 4.079 4.079 4.542 -0.463 25699 884 1 9 . 1 1 16 16 THR CA C 16 61.604 61.604 60.020 1.584 25699 885 1 9 . 1 1 16 16 THR CB C 16 66.014 66.014 71.492 -5.478 25699 886 1 9 . 1 1 16 16 THR H H 16 7.825 7.825 8.025 -0.200 25699 887 1 9 . 1 1 17 17 SER HA H 17 3.925 3.925 3.993 -0.068 25699 888 1 9 . 1 1 17 17 SER CA C 17 61.613 61.613 61.323 0.290 25699 889 1 9 . 1 1 17 17 SER CB C 17 62.836 62.836 63.064 -0.228 25699 890 1 9 . 1 1 17 17 SER H H 17 7.824 7.824 8.596 -0.772 25699 891 1 9 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.837 0.160 25699 892 1 9 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.409 -1.259 25699 893 1 9 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.509 0.557 25699 894 1 9 . 1 1 18 18 ARG H H 18 7.580 7.580 8.526 -0.946 25699 895 1 9 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.273 -0.015 25699 896 1 9 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.355 -0.858 25699 897 1 9 . 1 1 19 19 TYR H H 19 7.816 7.816 7.602 0.214 25699 898 1 9 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.720 -0.002 25699 899 1 9 . 1 1 20 20 ARG CA C 20 58.939 58.939 58.989 -0.050 25699 900 1 9 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.791 0.218 25699 901 1 9 . 1 1 20 20 ARG H H 20 7.864 7.864 7.677 0.187 25699 902 1 9 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.289 0.057 25699 903 1 9 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.789 -1.411 25699 904 1 9 . 1 1 21 21 HIS CB C 21 28.660 28.660 30.410 -1.750 25699 905 1 9 . 1 1 21 21 HIS H H 21 7.900 7.900 7.632 0.268 25699 906 1 9 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.396 -0.205 25699 907 1 9 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.044 -0.191 25699 908 1 9 . 1 1 22 22 TYR H H 22 7.680 7.680 8.622 -0.942 25699 909 1 9 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.859 0.021 25699 910 1 9 . 1 1 23 23 ALA CA C 23 53.293 53.293 53.403 -0.110 25699 911 1 9 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.359 1.237 25699 912 1 9 . 1 1 23 23 ALA H H 23 8.030 8.030 7.533 0.497 25699 913 1 9 . 1 1 24 24 ALA HA H 24 4.025 4.025 3.951 0.074 25699 914 1 9 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.707 -0.722 25699 915 1 9 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.766 0.107 25699 916 1 9 . 1 1 24 24 ALA H H 24 7.390 7.390 7.466 -0.076 25699 917 1 9 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.576 -0.208 25699 918 1 9 . 1 1 25 25 PHE CA C 25 58.247 58.247 60.194 -1.947 25699 919 1 9 . 1 1 25 25 PHE CB C 25 39.360 39.360 39.200 0.160 25699 920 1 9 . 1 1 25 25 PHE H H 25 7.694 7.694 7.475 0.219 25699 921 1 9 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.292 -0.226 25699 922 1 9 . 1 1 26 26 GLU CA C 26 57.011 57.011 58.483 -1.472 25699 923 1 9 . 1 1 26 26 GLU CB C 26 30.081 30.081 29.497 0.584 25699 924 1 9 . 1 1 26 26 GLU H H 26 8.068 8.068 8.385 -0.317 25699 925 1 9 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.227 -0.132 25699 926 1 9 . 1 1 27 27 ARG CA C 27 56.260 56.260 54.616 1.644 25699 927 1 9 . 1 1 27 27 ARG CB C 27 30.799 30.799 29.350 1.449 25699 928 1 9 . 1 1 27 27 ARG H H 27 7.976 7.976 7.391 0.585 25699 929 1 9 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.128 0.043 25699 930 1 9 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.556 -1.974 25699 931 1 9 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.438 0.944 25699 932 1 9 . 1 1 28 28 ALA H H 28 8.012 8.012 7.460 0.552 25699 933 1 9 . 1 1 29 29 THR HA H 29 4.112 4.112 4.254 -0.142 25699 934 1 9 . 1 1 29 29 THR CA C 29 61.661 61.661 64.112 -2.451 25699 935 1 9 . 1 1 29 29 THR CB C 29 70.032 70.032 69.207 0.825 25699 936 1 9 . 1 1 29 29 THR H H 29 7.723 7.723 8.649 -0.926 25699 937 1 10 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.526 -0.447 25699 938 1 10 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.479 1.347 25699 939 1 10 . 1 1 2 2 ALA CB C 2 21.988 21.988 18.447 3.541 25699 940 1 10 . 1 1 2 2 ALA H H 2 8.067 8.067 7.434 0.633 25699 941 1 10 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.378 -0.346 25699 942 1 10 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.302 -0.739 25699 943 1 10 . 1 1 3 3 GLU H H 3 8.592 8.592 8.678 -0.086 25699 944 1 10 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.435 -0.305 25699 945 1 10 . 1 1 4 4 LYS CA C 4 56.839 56.839 57.611 -0.772 25699 946 1 10 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.476 0.330 25699 947 1 10 . 1 1 4 4 LYS H H 4 8.205 8.205 8.365 -0.160 25699 948 1 10 . 1 1 5 5 VAL HA H 5 3.868 3.868 3.734 0.134 25699 949 1 10 . 1 1 5 5 VAL CA C 5 62.947 62.947 64.138 -1.191 25699 950 1 10 . 1 1 5 5 VAL CB C 5 32.536 32.536 31.295 1.241 25699 951 1 10 . 1 1 5 5 VAL H H 5 7.807 7.807 7.865 -0.058 25699 952 1 10 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.080 -0.002 25699 953 1 10 . 1 1 6 6 ALA CA C 6 53.076 53.076 55.006 -1.930 25699 954 1 10 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.526 0.481 25699 955 1 10 . 1 1 6 6 ALA H H 6 8.101 8.101 7.778 0.323 25699 956 1 10 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.096 -0.024 25699 957 1 10 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.323 1.090 25699 958 1 10 . 1 1 7 7 GLN H H 7 8.065 8.065 8.349 -0.284 25699 959 1 10 . 1 1 8 8 GLU HA H 8 4.080 4.080 3.997 0.083 25699 960 1 10 . 1 1 8 8 GLU CA C 8 56.439 56.439 57.114 -0.675 25699 961 1 10 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.721 -0.168 25699 962 1 10 . 1 1 8 8 GLU H H 8 8.182 8.182 7.600 0.582 25699 963 1 10 . 1 1 9 9 LYS HA H 9 4.007 4.007 3.891 0.116 25699 964 1 10 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.539 1.234 25699 965 1 10 . 1 1 9 9 LYS CB C 9 32.979 32.979 31.257 1.722 25699 966 1 10 . 1 1 9 9 LYS H H 9 8.048 8.048 8.684 -0.636 25699 967 1 10 . 1 1 10 10 GLY CA C 10 45.562 45.562 44.701 0.861 25699 968 1 10 . 1 1 10 10 GLY H H 10 8.305 8.305 7.459 0.846 25699 969 1 10 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.489 -0.405 25699 970 1 10 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.598 0.233 25699 971 1 10 . 1 1 11 11 PHE H H 11 8.761 8.761 8.448 0.313 25699 972 1 10 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.982 -0.206 25699 973 1 10 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.370 0.742 25699 974 1 10 . 1 1 12 12 LEU CB C 12 41.197 41.197 40.915 0.282 25699 975 1 10 . 1 1 12 12 LEU H H 12 8.728 8.728 8.144 0.584 25699 976 1 10 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.067 -0.025 25699 977 1 10 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.016 0.075 25699 978 1 10 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.264 -0.408 25699 979 1 10 . 1 1 13 13 TYR H H 13 8.199 8.199 7.906 0.293 25699 980 1 10 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.631 0.143 25699 981 1 10 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.581 2.138 25699 982 1 10 . 1 1 14 14 ARG H H 14 8.047 8.047 7.426 0.621 25699 983 1 10 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.181 -0.314 25699 984 1 10 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.372 3.746 25699 985 1 10 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.430 2.869 25699 986 1 10 . 1 1 15 15 LEU H H 15 8.048 8.048 7.276 0.772 25699 987 1 10 . 1 1 16 16 THR HA H 16 4.079 4.079 4.615 -0.536 25699 988 1 10 . 1 1 16 16 THR CA C 16 61.604 61.604 60.071 1.533 25699 989 1 10 . 1 1 16 16 THR CB C 16 66.014 66.014 71.337 -5.323 25699 990 1 10 . 1 1 16 16 THR H H 16 7.825 7.825 7.995 -0.170 25699 991 1 10 . 1 1 17 17 SER HA H 17 3.925 3.925 4.426 -0.501 25699 992 1 10 . 1 1 17 17 SER CA C 17 61.613 61.613 60.151 1.462 25699 993 1 10 . 1 1 17 17 SER CB C 17 62.836 62.836 62.847 -0.011 25699 994 1 10 . 1 1 17 17 SER H H 17 7.824 7.824 8.660 -0.836 25699 995 1 10 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.852 0.145 25699 996 1 10 . 1 1 18 18 ARG CA C 18 58.150 58.150 57.585 0.565 25699 997 1 10 . 1 1 18 18 ARG CB C 18 30.066 30.066 28.944 1.122 25699 998 1 10 . 1 1 18 18 ARG H H 18 7.580 7.580 8.146 -0.566 25699 999 1 10 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.414 -0.156 25699 1000 1 10 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.401 -0.904 25699 1001 1 10 . 1 1 19 19 TYR H H 19 7.816 7.816 7.639 0.177 25699 1002 1 10 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.670 0.048 25699 1003 1 10 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.411 -0.472 25699 1004 1 10 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.753 0.256 25699 1005 1 10 . 1 1 20 20 ARG H H 20 7.864 7.864 7.709 0.155 25699 1006 1 10 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.315 0.031 25699 1007 1 10 . 1 1 21 21 HIS CA C 21 57.378 57.378 59.534 -2.156 25699 1008 1 10 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.766 -1.106 25699 1009 1 10 . 1 1 21 21 HIS H H 21 7.900 7.900 7.385 0.515 25699 1010 1 10 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.264 -0.073 25699 1011 1 10 . 1 1 22 22 TYR CA C 22 59.853 59.853 59.076 0.777 25699 1012 1 10 . 1 1 22 22 TYR H H 22 7.680 7.680 7.763 -0.083 25699 1013 1 10 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.233 -0.353 25699 1014 1 10 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.058 -0.765 25699 1015 1 10 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.852 0.744 25699 1016 1 10 . 1 1 23 23 ALA H H 23 8.030 8.030 7.958 0.072 25699 1017 1 10 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.120 -0.095 25699 1018 1 10 . 1 1 24 24 ALA CA C 24 52.985 52.985 54.108 -1.123 25699 1019 1 10 . 1 1 24 24 ALA CB C 24 18.873 18.873 19.079 -0.206 25699 1020 1 10 . 1 1 24 24 ALA H H 24 7.390 7.390 7.903 -0.513 25699 1021 1 10 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.574 -0.206 25699 1022 1 10 . 1 1 25 25 PHE CA C 25 58.247 58.247 60.302 -2.055 25699 1023 1 10 . 1 1 25 25 PHE CB C 25 39.360 39.360 39.857 -0.497 25699 1024 1 10 . 1 1 25 25 PHE H H 25 7.694 7.694 7.621 0.073 25699 1025 1 10 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.327 -0.261 25699 1026 1 10 . 1 1 26 26 GLU CA C 26 57.011 57.011 58.840 -1.829 25699 1027 1 10 . 1 1 26 26 GLU CB C 26 30.081 30.081 29.723 0.358 25699 1028 1 10 . 1 1 26 26 GLU H H 26 8.068 8.068 8.517 -0.449 25699 1029 1 10 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.491 -0.396 25699 1030 1 10 . 1 1 27 27 ARG CA C 27 56.260 56.260 54.926 1.334 25699 1031 1 10 . 1 1 27 27 ARG CB C 27 30.799 30.799 29.945 0.854 25699 1032 1 10 . 1 1 27 27 ARG H H 27 7.976 7.976 7.523 0.453 25699 1033 1 10 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.160 0.011 25699 1034 1 10 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.398 -1.817 25699 1035 1 10 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.381 1.001 25699 1036 1 10 . 1 1 28 28 ALA H H 28 8.012 8.012 7.400 0.612 25699 1037 1 10 . 1 1 29 29 THR HA H 29 4.112 4.112 4.201 -0.089 25699 1038 1 10 . 1 1 29 29 THR CA C 29 61.661 61.661 63.773 -2.112 25699 1039 1 10 . 1 1 29 29 THR CB C 29 70.032 70.032 69.157 0.875 25699 1040 1 10 . 1 1 29 29 THR H H 29 7.723 7.723 8.570 -0.847 25699 1041 1 11 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.697 -0.618 25699 1042 1 11 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.205 1.621 25699 1043 1 11 . 1 1 2 2 ALA CB C 2 21.988 21.988 21.680 0.308 25699 1044 1 11 . 1 1 2 2 ALA H H 2 8.067 8.067 7.985 0.082 25699 1045 1 11 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.292 -0.260 25699 1046 1 11 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.181 -0.618 25699 1047 1 11 . 1 1 3 3 GLU H H 3 8.592 8.592 8.230 0.362 25699 1048 1 11 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.077 0.053 25699 1049 1 11 . 1 1 4 4 LYS CA C 4 56.839 56.839 58.864 -2.025 25699 1050 1 11 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.306 0.500 25699 1051 1 11 . 1 1 4 4 LYS H H 4 8.205 8.205 8.030 0.175 25699 1052 1 11 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.006 -0.138 25699 1053 1 11 . 1 1 5 5 VAL CA C 5 62.947 62.947 63.665 -0.718 25699 1054 1 11 . 1 1 5 5 VAL CB C 5 32.536 32.536 31.867 0.669 25699 1055 1 11 . 1 1 5 5 VAL H H 5 7.807 7.807 8.316 -0.509 25699 1056 1 11 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.372 -0.294 25699 1057 1 11 . 1 1 6 6 ALA CA C 6 53.076 53.076 51.608 1.468 25699 1058 1 11 . 1 1 6 6 ALA CB C 6 19.007 19.007 17.809 1.198 25699 1059 1 11 . 1 1 6 6 ALA H H 6 8.101 8.101 8.126 -0.025 25699 1060 1 11 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.236 -0.164 25699 1061 1 11 . 1 1 7 7 GLN CB C 7 29.413 29.413 29.524 -0.111 25699 1062 1 11 . 1 1 7 7 GLN H H 7 8.065 8.065 7.969 0.096 25699 1063 1 11 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.293 -0.213 25699 1064 1 11 . 1 1 8 8 GLU CA C 8 56.439 56.439 56.370 0.069 25699 1065 1 11 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.750 -0.197 25699 1066 1 11 . 1 1 8 8 GLU H H 8 8.182 8.182 7.648 0.534 25699 1067 1 11 . 1 1 9 9 LYS HA H 9 4.007 4.007 3.951 0.056 25699 1068 1 11 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.598 1.175 25699 1069 1 11 . 1 1 9 9 LYS CB C 9 32.979 32.979 31.353 1.626 25699 1070 1 11 . 1 1 9 9 LYS H H 9 8.048 8.048 8.872 -0.824 25699 1071 1 11 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.028 0.534 25699 1072 1 11 . 1 1 10 10 GLY H H 10 8.305 8.305 7.545 0.760 25699 1073 1 11 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.467 -0.383 25699 1074 1 11 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.657 0.174 25699 1075 1 11 . 1 1 11 11 PHE H H 11 8.761 8.761 8.608 0.153 25699 1076 1 11 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.882 -0.106 25699 1077 1 11 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.800 0.312 25699 1078 1 11 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.272 -0.075 25699 1079 1 11 . 1 1 12 12 LEU H H 12 8.728 8.728 7.831 0.897 25699 1080 1 11 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.063 -0.021 25699 1081 1 11 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.024 0.067 25699 1082 1 11 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.343 -0.487 25699 1083 1 11 . 1 1 13 13 TYR H H 13 8.199 8.199 7.546 0.653 25699 1084 1 11 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.674 0.100 25699 1085 1 11 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.620 2.099 25699 1086 1 11 . 1 1 14 14 ARG H H 14 8.047 8.047 7.534 0.513 25699 1087 1 11 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.153 -0.286 25699 1088 1 11 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.153 3.965 25699 1089 1 11 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.650 2.649 25699 1090 1 11 . 1 1 15 15 LEU H H 15 8.048 8.048 7.145 0.903 25699 1091 1 11 . 1 1 16 16 THR HA H 16 4.079 4.079 4.632 -0.553 25699 1092 1 11 . 1 1 16 16 THR CA C 16 61.604 61.604 59.484 2.120 25699 1093 1 11 . 1 1 16 16 THR CB C 16 66.014 66.014 72.184 -6.170 25699 1094 1 11 . 1 1 16 16 THR H H 16 7.825 7.825 7.797 0.028 25699 1095 1 11 . 1 1 17 17 SER HA H 17 3.925 3.925 3.990 -0.065 25699 1096 1 11 . 1 1 17 17 SER CA C 17 61.613 61.613 61.841 -0.228 25699 1097 1 11 . 1 1 17 17 SER CB C 17 62.836 62.836 63.226 -0.390 25699 1098 1 11 . 1 1 17 17 SER H H 17 7.824 7.824 8.954 -1.130 25699 1099 1 11 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.949 0.048 25699 1100 1 11 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.134 -0.984 25699 1101 1 11 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.494 0.572 25699 1102 1 11 . 1 1 18 18 ARG H H 18 7.580 7.580 8.551 -0.971 25699 1103 1 11 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.346 -0.088 25699 1104 1 11 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.485 -0.988 25699 1105 1 11 . 1 1 19 19 TYR H H 19 7.816 7.816 7.638 0.178 25699 1106 1 11 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.781 -0.064 25699 1107 1 11 . 1 1 20 20 ARG CA C 20 58.939 58.939 58.998 -0.059 25699 1108 1 11 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.615 0.394 25699 1109 1 11 . 1 1 20 20 ARG H H 20 7.864 7.864 7.880 -0.016 25699 1110 1 11 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.582 -0.236 25699 1111 1 11 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.572 -1.194 25699 1112 1 11 . 1 1 21 21 HIS CB C 21 28.660 28.660 30.947 -2.287 25699 1113 1 11 . 1 1 21 21 HIS H H 21 7.900 7.900 7.610 0.290 25699 1114 1 11 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.370 -0.179 25699 1115 1 11 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.505 -0.652 25699 1116 1 11 . 1 1 22 22 TYR H H 22 7.680 7.680 8.657 -0.977 25699 1117 1 11 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.304 -0.424 25699 1118 1 11 . 1 1 23 23 ALA CA C 23 53.293 53.293 52.349 0.944 25699 1119 1 11 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.324 1.272 25699 1120 1 11 . 1 1 23 23 ALA H H 23 8.030 8.030 8.476 -0.446 25699 1121 1 11 . 1 1 24 24 ALA HA H 24 4.025 4.025 3.950 0.075 25699 1122 1 11 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.301 -0.316 25699 1123 1 11 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.518 0.355 25699 1124 1 11 . 1 1 24 24 ALA H H 24 7.390 7.390 7.873 -0.483 25699 1125 1 11 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.673 -0.305 25699 1126 1 11 . 1 1 25 25 PHE CA C 25 58.247 58.247 59.051 -0.804 25699 1127 1 11 . 1 1 25 25 PHE CB C 25 39.360 39.360 41.048 -1.688 25699 1128 1 11 . 1 1 25 25 PHE H H 25 7.694 7.694 7.481 0.213 25699 1129 1 11 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.564 -0.498 25699 1130 1 11 . 1 1 26 26 GLU CA C 26 57.011 57.011 58.201 -1.190 25699 1131 1 11 . 1 1 26 26 GLU CB C 26 30.081 30.081 30.381 -0.300 25699 1132 1 11 . 1 1 26 26 GLU H H 26 8.068 8.068 8.297 -0.229 25699 1133 1 11 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.762 -0.667 25699 1134 1 11 . 1 1 27 27 ARG CA C 27 56.260 56.260 55.244 1.016 25699 1135 1 11 . 1 1 27 27 ARG CB C 27 30.799 30.799 30.797 0.001 25699 1136 1 11 . 1 1 27 27 ARG H H 27 7.976 7.976 7.729 0.247 25699 1137 1 11 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.002 0.169 25699 1138 1 11 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.085 -1.504 25699 1139 1 11 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.248 1.134 25699 1140 1 11 . 1 1 28 28 ALA H H 28 8.012 8.012 7.796 0.216 25699 1141 1 11 . 1 1 29 29 THR HA H 29 4.112 4.112 4.021 0.091 25699 1142 1 11 . 1 1 29 29 THR CA C 29 61.661 61.661 62.247 -0.586 25699 1143 1 11 . 1 1 29 29 THR CB C 29 70.032 70.032 68.627 1.405 25699 1144 1 11 . 1 1 29 29 THR H H 29 7.723 7.723 7.705 0.018 25699 1145 1 12 . 1 1 2 2 ALA HA H 2 4.079 4.079 3.858 0.221 25699 1146 1 12 . 1 1 2 2 ALA CA C 2 52.826 52.826 53.241 -0.415 25699 1147 1 12 . 1 1 2 2 ALA CB C 2 21.988 21.988 18.285 3.703 25699 1148 1 12 . 1 1 2 2 ALA H H 2 8.067 8.067 7.646 0.421 25699 1149 1 12 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.275 -0.243 25699 1150 1 12 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.382 -0.819 25699 1151 1 12 . 1 1 3 3 GLU H H 3 8.592 8.592 8.460 0.132 25699 1152 1 12 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.385 -0.255 25699 1153 1 12 . 1 1 4 4 LYS CA C 4 56.839 56.839 57.045 -0.206 25699 1154 1 12 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.966 -0.160 25699 1155 1 12 . 1 1 4 4 LYS H H 4 8.205 8.205 7.878 0.327 25699 1156 1 12 . 1 1 5 5 VAL HA H 5 3.868 3.868 3.835 0.033 25699 1157 1 12 . 1 1 5 5 VAL CA C 5 62.947 62.947 65.207 -2.260 25699 1158 1 12 . 1 1 5 5 VAL CB C 5 32.536 32.536 31.559 0.977 25699 1159 1 12 . 1 1 5 5 VAL H H 5 7.807 7.807 7.702 0.105 25699 1160 1 12 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.098 -0.020 25699 1161 1 12 . 1 1 6 6 ALA CA C 6 53.076 53.076 55.426 -2.350 25699 1162 1 12 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.126 0.881 25699 1163 1 12 . 1 1 6 6 ALA H H 6 8.101 8.101 8.096 0.005 25699 1164 1 12 . 1 1 7 7 GLN HA H 7 4.072 4.072 3.970 0.102 25699 1165 1 12 . 1 1 7 7 GLN CB C 7 29.413 29.413 27.797 1.615 25699 1166 1 12 . 1 1 7 7 GLN H H 7 8.065 8.065 8.550 -0.485 25699 1167 1 12 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.096 -0.016 25699 1168 1 12 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.134 -1.695 25699 1169 1 12 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.527 0.025 25699 1170 1 12 . 1 1 8 8 GLU H H 8 8.182 8.182 7.672 0.510 25699 1171 1 12 . 1 1 9 9 LYS HA H 9 4.007 4.007 3.954 0.053 25699 1172 1 12 . 1 1 9 9 LYS CA C 9 57.773 57.773 57.541 0.232 25699 1173 1 12 . 1 1 9 9 LYS CB C 9 32.979 32.979 32.596 0.383 25699 1174 1 12 . 1 1 9 9 LYS H H 9 8.048 8.048 7.642 0.406 25699 1175 1 12 . 1 1 10 10 GLY CA C 10 45.562 45.562 44.878 0.684 25699 1176 1 12 . 1 1 10 10 GLY H H 10 8.305 8.305 7.572 0.733 25699 1177 1 12 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.569 -0.485 25699 1178 1 12 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.482 0.349 25699 1179 1 12 . 1 1 11 11 PHE H H 11 8.761 8.761 8.437 0.324 25699 1180 1 12 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.774 0.002 25699 1181 1 12 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.506 0.606 25699 1182 1 12 . 1 1 12 12 LEU CB C 12 41.197 41.197 40.919 0.279 25699 1183 1 12 . 1 1 12 12 LEU H H 12 8.728 8.728 8.095 0.633 25699 1184 1 12 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.083 -0.041 25699 1185 1 12 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.045 0.046 25699 1186 1 12 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.125 -0.269 25699 1187 1 12 . 1 1 13 13 TYR H H 13 8.199 8.199 8.160 0.039 25699 1188 1 12 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.695 0.079 25699 1189 1 12 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.570 2.149 25699 1190 1 12 . 1 1 14 14 ARG H H 14 8.047 8.047 7.884 0.163 25699 1191 1 12 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.112 -0.245 25699 1192 1 12 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.744 3.374 25699 1193 1 12 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.788 2.510 25699 1194 1 12 . 1 1 15 15 LEU H H 15 8.048 8.048 7.144 0.904 25699 1195 1 12 . 1 1 16 16 THR HA H 16 4.079 4.079 4.491 -0.412 25699 1196 1 12 . 1 1 16 16 THR CA C 16 61.604 61.604 60.139 1.464 25699 1197 1 12 . 1 1 16 16 THR CB C 16 66.014 66.014 71.416 -5.402 25699 1198 1 12 . 1 1 16 16 THR H H 16 7.825 7.825 8.062 -0.237 25699 1199 1 12 . 1 1 17 17 SER HA H 17 3.925 3.925 4.133 -0.208 25699 1200 1 12 . 1 1 17 17 SER CA C 17 61.613 61.613 60.978 0.635 25699 1201 1 12 . 1 1 17 17 SER CB C 17 62.836 62.836 62.903 -0.067 25699 1202 1 12 . 1 1 17 17 SER H H 17 7.824 7.824 8.528 -0.704 25699 1203 1 12 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.665 0.332 25699 1204 1 12 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.064 -0.914 25699 1205 1 12 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.415 0.651 25699 1206 1 12 . 1 1 18 18 ARG H H 18 7.580 7.580 8.368 -0.788 25699 1207 1 12 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.401 -0.143 25699 1208 1 12 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.430 -0.933 25699 1209 1 12 . 1 1 19 19 TYR H H 19 7.816 7.816 7.591 0.225 25699 1210 1 12 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.631 0.087 25699 1211 1 12 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.326 -0.387 25699 1212 1 12 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.929 0.080 25699 1213 1 12 . 1 1 20 20 ARG H H 20 7.864 7.864 7.600 0.264 25699 1214 1 12 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.349 -0.003 25699 1215 1 12 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.121 -0.743 25699 1216 1 12 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.910 -1.250 25699 1217 1 12 . 1 1 21 21 HIS H H 21 7.900 7.900 7.911 -0.011 25699 1218 1 12 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.323 -0.132 25699 1219 1 12 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.055 -0.202 25699 1220 1 12 . 1 1 22 22 TYR H H 22 7.680 7.680 8.571 -0.891 25699 1221 1 12 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.526 -0.646 25699 1222 1 12 . 1 1 23 23 ALA CA C 23 53.293 53.293 51.996 1.297 25699 1223 1 12 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.426 1.170 25699 1224 1 12 . 1 1 23 23 ALA H H 23 8.030 8.030 8.381 -0.351 25699 1225 1 12 . 1 1 24 24 ALA HA H 24 4.025 4.025 3.997 0.028 25699 1226 1 12 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.545 -0.561 25699 1227 1 12 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.668 0.205 25699 1228 1 12 . 1 1 24 24 ALA H H 24 7.390 7.390 7.873 -0.483 25699 1229 1 12 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.699 -0.331 25699 1230 1 12 . 1 1 25 25 PHE CA C 25 58.247 58.247 58.986 -0.739 25699 1231 1 12 . 1 1 25 25 PHE CB C 25 39.360 39.360 40.827 -1.467 25699 1232 1 12 . 1 1 25 25 PHE H H 25 7.694 7.694 7.491 0.203 25699 1233 1 12 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.590 -0.524 25699 1234 1 12 . 1 1 26 26 GLU CA C 26 57.011 57.011 58.209 -1.198 25699 1235 1 12 . 1 1 26 26 GLU CB C 26 30.081 30.081 30.349 -0.268 25699 1236 1 12 . 1 1 26 26 GLU H H 26 8.068 8.068 8.183 -0.115 25699 1237 1 12 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.731 -0.636 25699 1238 1 12 . 1 1 27 27 ARG CA C 27 56.260 56.260 55.029 1.231 25699 1239 1 12 . 1 1 27 27 ARG CB C 27 30.799 30.799 30.539 0.260 25699 1240 1 12 . 1 1 27 27 ARG H H 27 7.976 7.976 7.737 0.239 25699 1241 1 12 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.051 0.120 25699 1242 1 12 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.404 -1.823 25699 1243 1 12 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.219 1.163 25699 1244 1 12 . 1 1 28 28 ALA H H 28 8.012 8.012 7.829 0.183 25699 1245 1 12 . 1 1 29 29 THR HA H 29 4.112 4.112 4.141 -0.029 25699 1246 1 12 . 1 1 29 29 THR CA C 29 61.661 61.661 62.340 -0.679 25699 1247 1 12 . 1 1 29 29 THR CB C 29 70.032 70.032 68.672 1.360 25699 1248 1 12 . 1 1 29 29 THR H H 29 7.723 7.723 7.719 0.004 25699 1249 1 13 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.627 -0.548 25699 1250 1 13 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.700 1.126 25699 1251 1 13 . 1 1 2 2 ALA CB C 2 21.988 21.988 20.626 1.362 25699 1252 1 13 . 1 1 2 2 ALA H H 2 8.067 8.067 7.770 0.297 25699 1253 1 13 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.610 -0.578 25699 1254 1 13 . 1 1 3 3 GLU CB C 3 29.563 29.563 31.116 -1.553 25699 1255 1 13 . 1 1 3 3 GLU H H 3 8.592 8.592 8.631 -0.039 25699 1256 1 13 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.438 -0.308 25699 1257 1 13 . 1 1 4 4 LYS CA C 4 56.839 56.839 56.777 0.062 25699 1258 1 13 . 1 1 4 4 LYS CB C 4 32.806 32.806 33.182 -0.376 25699 1259 1 13 . 1 1 4 4 LYS H H 4 8.205 8.205 8.280 -0.075 25699 1260 1 13 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.323 -0.455 25699 1261 1 13 . 1 1 5 5 VAL CA C 5 62.947 62.947 61.380 1.567 25699 1262 1 13 . 1 1 5 5 VAL CB C 5 32.536 32.536 33.056 -0.520 25699 1263 1 13 . 1 1 5 5 VAL H H 5 7.807 7.807 7.629 0.178 25699 1264 1 13 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.346 -0.268 25699 1265 1 13 . 1 1 6 6 ALA CA C 6 53.076 53.076 53.514 -0.438 25699 1266 1 13 . 1 1 6 6 ALA CB C 6 19.007 19.007 19.152 -0.145 25699 1267 1 13 . 1 1 6 6 ALA H H 6 8.101 8.101 7.619 0.482 25699 1268 1 13 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.213 -0.141 25699 1269 1 13 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.155 1.258 25699 1270 1 13 . 1 1 7 7 GLN H H 7 8.065 8.065 8.459 -0.394 25699 1271 1 13 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.118 -0.038 25699 1272 1 13 . 1 1 8 8 GLU CA C 8 56.439 56.439 56.861 -0.422 25699 1273 1 13 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.556 -0.003 25699 1274 1 13 . 1 1 8 8 GLU H H 8 8.182 8.182 7.991 0.191 25699 1275 1 13 . 1 1 9 9 LYS HA H 9 4.007 4.007 3.942 0.065 25699 1276 1 13 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.546 1.227 25699 1277 1 13 . 1 1 9 9 LYS CB C 9 32.979 32.979 30.587 2.392 25699 1278 1 13 . 1 1 9 9 LYS H H 9 8.048 8.048 8.738 -0.690 25699 1279 1 13 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.010 0.552 25699 1280 1 13 . 1 1 10 10 GLY H H 10 8.305 8.305 7.585 0.720 25699 1281 1 13 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.549 -0.465 25699 1282 1 13 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.577 0.254 25699 1283 1 13 . 1 1 11 11 PHE H H 11 8.761 8.761 8.469 0.292 25699 1284 1 13 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.935 -0.159 25699 1285 1 13 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.477 0.634 25699 1286 1 13 . 1 1 12 12 LEU CB C 12 41.197 41.197 40.808 0.389 25699 1287 1 13 . 1 1 12 12 LEU H H 12 8.728 8.728 8.148 0.580 25699 1288 1 13 . 1 1 13 13 TYR HA H 13 4.042 4.042 3.923 0.119 25699 1289 1 13 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.469 -0.379 25699 1290 1 13 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.158 -0.302 25699 1291 1 13 . 1 1 13 13 TYR H H 13 8.199 8.199 7.733 0.466 25699 1292 1 13 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.566 0.208 25699 1293 1 13 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.540 2.179 25699 1294 1 13 . 1 1 14 14 ARG H H 14 8.047 8.047 7.483 0.564 25699 1295 1 13 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.116 -0.249 25699 1296 1 13 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.045 4.073 25699 1297 1 13 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.529 2.770 25699 1298 1 13 . 1 1 15 15 LEU H H 15 8.048 8.048 7.148 0.900 25699 1299 1 13 . 1 1 16 16 THR HA H 16 4.079 4.079 4.557 -0.478 25699 1300 1 13 . 1 1 16 16 THR CA C 16 61.604 61.604 59.487 2.117 25699 1301 1 13 . 1 1 16 16 THR CB C 16 66.014 66.014 71.636 -5.622 25699 1302 1 13 . 1 1 16 16 THR H H 16 7.825 7.825 7.738 0.087 25699 1303 1 13 . 1 1 17 17 SER HA H 17 3.925 3.925 3.882 0.043 25699 1304 1 13 . 1 1 17 17 SER CA C 17 61.613 61.613 61.304 0.309 25699 1305 1 13 . 1 1 17 17 SER CB C 17 62.836 62.836 63.069 -0.233 25699 1306 1 13 . 1 1 17 17 SER H H 17 7.824 7.824 8.675 -0.851 25699 1307 1 13 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.857 0.140 25699 1308 1 13 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.461 -1.310 25699 1309 1 13 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.500 0.566 25699 1310 1 13 . 1 1 18 18 ARG H H 18 7.580 7.580 8.529 -0.949 25699 1311 1 13 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.089 0.169 25699 1312 1 13 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.229 -0.732 25699 1313 1 13 . 1 1 19 19 TYR H H 19 7.816 7.816 7.591 0.225 25699 1314 1 13 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.756 -0.038 25699 1315 1 13 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.497 -0.558 25699 1316 1 13 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.866 0.143 25699 1317 1 13 . 1 1 20 20 ARG H H 20 7.864 7.864 7.934 -0.070 25699 1318 1 13 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.215 0.131 25699 1319 1 13 . 1 1 21 21 HIS CA C 21 57.378 57.378 59.050 -1.672 25699 1320 1 13 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.704 -1.044 25699 1321 1 13 . 1 1 21 21 HIS H H 21 7.900 7.900 8.005 -0.105 25699 1322 1 13 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.536 -0.345 25699 1323 1 13 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.101 -0.248 25699 1324 1 13 . 1 1 22 22 TYR H H 22 7.680 7.680 8.076 -0.396 25699 1325 1 13 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.095 -0.215 25699 1326 1 13 . 1 1 23 23 ALA CA C 23 53.293 53.293 53.593 -0.300 25699 1327 1 13 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.476 1.120 25699 1328 1 13 . 1 1 23 23 ALA H H 23 8.030 8.030 7.765 0.265 25699 1329 1 13 . 1 1 24 24 ALA HA H 24 4.025 4.025 3.993 0.032 25699 1330 1 13 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.713 -0.728 25699 1331 1 13 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.549 0.324 25699 1332 1 13 . 1 1 24 24 ALA H H 24 7.390 7.390 7.676 -0.286 25699 1333 1 13 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.720 -0.352 25699 1334 1 13 . 1 1 25 25 PHE CA C 25 58.247 58.247 60.140 -1.893 25699 1335 1 13 . 1 1 25 25 PHE CB C 25 39.360 39.360 39.734 -0.374 25699 1336 1 13 . 1 1 25 25 PHE H H 25 7.694 7.694 7.577 0.117 25699 1337 1 13 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.309 -0.243 25699 1338 1 13 . 1 1 26 26 GLU CA C 26 57.011 57.011 58.755 -1.744 25699 1339 1 13 . 1 1 26 26 GLU CB C 26 30.081 30.081 29.624 0.457 25699 1340 1 13 . 1 1 26 26 GLU H H 26 8.068 8.068 8.584 -0.516 25699 1341 1 13 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.555 -0.460 25699 1342 1 13 . 1 1 27 27 ARG CA C 27 56.260 56.260 53.758 2.502 25699 1343 1 13 . 1 1 27 27 ARG CB C 27 30.799 30.799 28.985 1.814 25699 1344 1 13 . 1 1 27 27 ARG H H 27 7.976 7.976 7.673 0.303 25699 1345 1 13 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.066 0.105 25699 1346 1 13 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.554 -1.973 25699 1347 1 13 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.478 0.904 25699 1348 1 13 . 1 1 28 28 ALA H H 28 8.012 8.012 7.420 0.592 25699 1349 1 13 . 1 1 29 29 THR HA H 29 4.112 4.112 4.173 -0.061 25699 1350 1 13 . 1 1 29 29 THR CA C 29 61.661 61.661 64.240 -2.579 25699 1351 1 13 . 1 1 29 29 THR CB C 29 70.032 70.032 69.224 0.808 25699 1352 1 13 . 1 1 29 29 THR H H 29 7.723 7.723 8.521 -0.798 25699 1353 1 14 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.601 -0.522 25699 1354 1 14 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.626 1.200 25699 1355 1 14 . 1 1 2 2 ALA CB C 2 21.988 21.988 20.763 1.225 25699 1356 1 14 . 1 1 2 2 ALA H H 2 8.067 8.067 7.635 0.432 25699 1357 1 14 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.380 -0.348 25699 1358 1 14 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.397 -0.834 25699 1359 1 14 . 1 1 3 3 GLU H H 3 8.592 8.592 8.800 -0.208 25699 1360 1 14 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.369 -0.239 25699 1361 1 14 . 1 1 4 4 LYS CA C 4 56.839 56.839 56.923 -0.084 25699 1362 1 14 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.918 -0.112 25699 1363 1 14 . 1 1 4 4 LYS H H 4 8.205 8.205 8.132 0.073 25699 1364 1 14 . 1 1 5 5 VAL HA H 5 3.868 3.868 3.653 0.215 25699 1365 1 14 . 1 1 5 5 VAL CA C 5 62.947 62.947 64.749 -1.802 25699 1366 1 14 . 1 1 5 5 VAL CB C 5 32.536 32.536 31.756 0.780 25699 1367 1 14 . 1 1 5 5 VAL H H 5 7.807 7.807 7.776 0.031 25699 1368 1 14 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.199 -0.121 25699 1369 1 14 . 1 1 6 6 ALA CA C 6 53.076 53.076 53.618 -0.542 25699 1370 1 14 . 1 1 6 6 ALA CB C 6 19.007 19.007 19.107 -0.100 25699 1371 1 14 . 1 1 6 6 ALA H H 6 8.101 8.101 7.619 0.482 25699 1372 1 14 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.062 0.010 25699 1373 1 14 . 1 1 7 7 GLN CB C 7 29.413 29.413 27.907 1.506 25699 1374 1 14 . 1 1 7 7 GLN H H 7 8.065 8.065 7.641 0.424 25699 1375 1 14 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.062 0.018 25699 1376 1 14 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.255 -1.816 25699 1377 1 14 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.909 -0.356 25699 1378 1 14 . 1 1 8 8 GLU H H 8 8.182 8.182 8.178 0.004 25699 1379 1 14 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.441 -0.434 25699 1380 1 14 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.352 1.421 25699 1381 1 14 . 1 1 9 9 LYS CB C 9 32.979 32.979 35.025 -2.046 25699 1382 1 14 . 1 1 9 9 LYS H H 9 8.048 8.048 7.283 0.765 25699 1383 1 14 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.364 0.199 25699 1384 1 14 . 1 1 10 10 GLY H H 10 8.305 8.305 7.503 0.802 25699 1385 1 14 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.540 -0.456 25699 1386 1 14 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.474 0.357 25699 1387 1 14 . 1 1 11 11 PHE H H 11 8.761 8.761 8.418 0.343 25699 1388 1 14 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.896 -0.120 25699 1389 1 14 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.867 0.245 25699 1390 1 14 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.056 0.141 25699 1391 1 14 . 1 1 12 12 LEU H H 12 8.728 8.728 8.134 0.594 25699 1392 1 14 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.061 -0.019 25699 1393 1 14 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.074 0.017 25699 1394 1 14 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.158 -0.302 25699 1395 1 14 . 1 1 13 13 TYR H H 13 8.199 8.199 8.263 -0.064 25699 1396 1 14 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.726 0.048 25699 1397 1 14 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.443 2.276 25699 1398 1 14 . 1 1 14 14 ARG H H 14 8.047 8.047 7.608 0.439 25699 1399 1 14 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.164 -0.297 25699 1400 1 14 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.543 3.575 25699 1401 1 14 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.546 2.753 25699 1402 1 14 . 1 1 15 15 LEU H H 15 8.048 8.048 7.240 0.808 25699 1403 1 14 . 1 1 16 16 THR HA H 16 4.079 4.079 4.555 -0.476 25699 1404 1 14 . 1 1 16 16 THR CA C 16 61.604 61.604 59.919 1.685 25699 1405 1 14 . 1 1 16 16 THR CB C 16 66.014 66.014 71.769 -5.755 25699 1406 1 14 . 1 1 16 16 THR H H 16 7.825 7.825 8.069 -0.244 25699 1407 1 14 . 1 1 17 17 SER HA H 17 3.925 3.925 4.232 -0.307 25699 1408 1 14 . 1 1 17 17 SER CA C 17 61.613 61.613 61.311 0.302 25699 1409 1 14 . 1 1 17 17 SER CB C 17 62.836 62.836 63.079 -0.243 25699 1410 1 14 . 1 1 17 17 SER H H 17 7.824 7.824 8.875 -1.051 25699 1411 1 14 . 1 1 18 18 ARG HA H 18 3.997 3.997 4.053 -0.056 25699 1412 1 14 . 1 1 18 18 ARG CA C 18 58.150 58.150 58.965 -0.815 25699 1413 1 14 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.513 0.553 25699 1414 1 14 . 1 1 18 18 ARG H H 18 7.580 7.580 8.128 -0.548 25699 1415 1 14 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.454 -0.196 25699 1416 1 14 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.820 -1.323 25699 1417 1 14 . 1 1 19 19 TYR H H 19 7.816 7.816 7.689 0.127 25699 1418 1 14 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.821 -0.103 25699 1419 1 14 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.380 -0.441 25699 1420 1 14 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.922 0.088 25699 1421 1 14 . 1 1 20 20 ARG H H 20 7.864 7.864 8.054 -0.190 25699 1422 1 14 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.467 -0.121 25699 1423 1 14 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.219 -0.842 25699 1424 1 14 . 1 1 21 21 HIS CB C 21 28.660 28.660 30.045 -1.385 25699 1425 1 14 . 1 1 21 21 HIS H H 21 7.900 7.900 7.711 0.189 25699 1426 1 14 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.228 -0.037 25699 1427 1 14 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.974 -1.121 25699 1428 1 14 . 1 1 22 22 TYR H H 22 7.680 7.680 7.817 -0.137 25699 1429 1 14 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.193 -0.313 25699 1430 1 14 . 1 1 23 23 ALA CA C 23 53.293 53.293 55.003 -1.710 25699 1431 1 14 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.856 0.740 25699 1432 1 14 . 1 1 23 23 ALA H H 23 8.030 8.030 8.274 -0.244 25699 1433 1 14 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.242 -0.217 25699 1434 1 14 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.931 -0.946 25699 1435 1 14 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.900 -0.027 25699 1436 1 14 . 1 1 24 24 ALA H H 24 7.390 7.390 7.762 -0.372 25699 1437 1 14 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.821 -0.453 25699 1438 1 14 . 1 1 25 25 PHE CA C 25 58.247 58.247 58.716 -0.469 25699 1439 1 14 . 1 1 25 25 PHE CB C 25 39.360 39.360 41.188 -1.828 25699 1440 1 14 . 1 1 25 25 PHE H H 25 7.694 7.694 8.079 -0.385 25699 1441 1 14 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.685 -0.619 25699 1442 1 14 . 1 1 26 26 GLU CA C 26 57.011 57.011 57.661 -0.650 25699 1443 1 14 . 1 1 26 26 GLU CB C 26 30.081 30.081 32.080 -1.999 25699 1444 1 14 . 1 1 26 26 GLU H H 26 8.068 8.068 8.168 -0.100 25699 1445 1 14 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.722 -0.627 25699 1446 1 14 . 1 1 27 27 ARG CA C 27 56.260 56.260 56.170 0.090 25699 1447 1 14 . 1 1 27 27 ARG CB C 27 30.799 30.799 30.303 0.496 25699 1448 1 14 . 1 1 27 27 ARG H H 27 7.976 7.976 8.401 -0.425 25699 1449 1 14 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.098 0.073 25699 1450 1 14 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.236 -1.655 25699 1451 1 14 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.089 1.293 25699 1452 1 14 . 1 1 28 28 ALA H H 28 8.012 8.012 8.048 -0.036 25699 1453 1 14 . 1 1 29 29 THR HA H 29 4.112 4.112 4.156 -0.044 25699 1454 1 14 . 1 1 29 29 THR CA C 29 61.661 61.661 62.315 -0.654 25699 1455 1 14 . 1 1 29 29 THR CB C 29 70.032 70.032 68.912 1.120 25699 1456 1 14 . 1 1 29 29 THR H H 29 7.723 7.723 7.665 0.058 25699 1457 1 15 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.358 -0.279 25699 1458 1 15 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.944 0.882 25699 1459 1 15 . 1 1 2 2 ALA CB C 2 21.988 21.988 18.946 3.042 25699 1460 1 15 . 1 1 2 2 ALA H H 2 8.067 8.067 7.661 0.406 25699 1461 1 15 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.067 -0.035 25699 1462 1 15 . 1 1 3 3 GLU CB C 3 29.563 29.563 29.587 -0.024 25699 1463 1 15 . 1 1 3 3 GLU H H 3 8.592 8.592 8.984 -0.392 25699 1464 1 15 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.243 -0.113 25699 1465 1 15 . 1 1 4 4 LYS CA C 4 56.839 56.839 58.514 -1.675 25699 1466 1 15 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.450 0.356 25699 1467 1 15 . 1 1 4 4 LYS H H 4 8.205 8.205 8.154 0.051 25699 1468 1 15 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.289 -0.421 25699 1469 1 15 . 1 1 5 5 VAL CA C 5 62.947 62.947 61.468 1.479 25699 1470 1 15 . 1 1 5 5 VAL CB C 5 32.536 32.536 30.265 2.271 25699 1471 1 15 . 1 1 5 5 VAL H H 5 7.807 7.807 7.563 0.244 25699 1472 1 15 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.577 -0.499 25699 1473 1 15 . 1 1 6 6 ALA CA C 6 53.076 53.076 53.087 -0.011 25699 1474 1 15 . 1 1 6 6 ALA CB C 6 19.007 19.007 20.313 -1.306 25699 1475 1 15 . 1 1 6 6 ALA H H 6 8.101 8.101 7.958 0.143 25699 1476 1 15 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.599 -0.527 25699 1477 1 15 . 1 1 7 7 GLN CB C 7 29.413 29.413 29.757 -0.344 25699 1478 1 15 . 1 1 7 7 GLN H H 7 8.065 8.065 8.461 -0.396 25699 1479 1 15 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.005 0.075 25699 1480 1 15 . 1 1 8 8 GLU CA C 8 56.439 56.439 59.048 -2.609 25699 1481 1 15 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.205 0.348 25699 1482 1 15 . 1 1 8 8 GLU H H 8 8.182 8.182 8.512 -0.330 25699 1483 1 15 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.287 -0.280 25699 1484 1 15 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.470 1.303 25699 1485 1 15 . 1 1 9 9 LYS CB C 9 32.979 32.979 33.079 -0.100 25699 1486 1 15 . 1 1 9 9 LYS H H 9 8.048 8.048 7.864 0.184 25699 1487 1 15 . 1 1 10 10 GLY CA C 10 45.562 45.562 44.660 0.902 25699 1488 1 15 . 1 1 10 10 GLY H H 10 8.305 8.305 7.156 1.149 25699 1489 1 15 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.388 -0.304 25699 1490 1 15 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.481 0.350 25699 1491 1 15 . 1 1 11 11 PHE H H 11 8.761 8.761 8.611 0.150 25699 1492 1 15 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.773 0.003 25699 1493 1 15 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.548 0.564 25699 1494 1 15 . 1 1 12 12 LEU CB C 12 41.197 41.197 40.755 0.442 25699 1495 1 15 . 1 1 12 12 LEU H H 12 8.728 8.728 8.114 0.614 25699 1496 1 15 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.079 -0.037 25699 1497 1 15 . 1 1 13 13 TYR CA C 13 61.091 61.091 60.793 0.298 25699 1498 1 15 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.042 -0.186 25699 1499 1 15 . 1 1 13 13 TYR H H 13 8.199 8.199 8.105 0.094 25699 1500 1 15 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.566 0.208 25699 1501 1 15 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.684 2.035 25699 1502 1 15 . 1 1 14 14 ARG H H 14 8.047 8.047 7.650 0.397 25699 1503 1 15 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.140 -0.273 25699 1504 1 15 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.428 3.690 25699 1505 1 15 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.534 2.765 25699 1506 1 15 . 1 1 15 15 LEU H H 15 8.048 8.048 7.099 0.949 25699 1507 1 15 . 1 1 16 16 THR HA H 16 4.079 4.079 4.481 -0.402 25699 1508 1 15 . 1 1 16 16 THR CA C 16 61.604 61.604 59.794 1.810 25699 1509 1 15 . 1 1 16 16 THR CB C 16 66.014 66.014 72.031 -6.017 25699 1510 1 15 . 1 1 16 16 THR H H 16 7.825 7.825 8.007 -0.182 25699 1511 1 15 . 1 1 17 17 SER HA H 17 3.925 3.925 3.921 0.004 25699 1512 1 15 . 1 1 17 17 SER CA C 17 61.613 61.613 61.133 0.479 25699 1513 1 15 . 1 1 17 17 SER CB C 17 62.836 62.836 62.928 -0.092 25699 1514 1 15 . 1 1 17 17 SER H H 17 7.824 7.824 8.703 -0.879 25699 1515 1 15 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.703 0.294 25699 1516 1 15 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.071 -0.921 25699 1517 1 15 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.508 0.558 25699 1518 1 15 . 1 1 18 18 ARG H H 18 7.580 7.580 8.311 -0.731 25699 1519 1 15 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.425 -0.167 25699 1520 1 15 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.329 -0.832 25699 1521 1 15 . 1 1 19 19 TYR H H 19 7.816 7.816 7.489 0.327 25699 1522 1 15 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.849 -0.131 25699 1523 1 15 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.513 -0.574 25699 1524 1 15 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.982 0.027 25699 1525 1 15 . 1 1 20 20 ARG H H 20 7.864 7.864 8.518 -0.654 25699 1526 1 15 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.515 -0.169 25699 1527 1 15 . 1 1 21 21 HIS CA C 21 57.378 57.378 57.831 -0.453 25699 1528 1 15 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.452 -0.792 25699 1529 1 15 . 1 1 21 21 HIS H H 21 7.900 7.900 7.706 0.194 25699 1530 1 15 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.356 -0.165 25699 1531 1 15 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.694 -0.841 25699 1532 1 15 . 1 1 22 22 TYR H H 22 7.680 7.680 8.039 -0.359 25699 1533 1 15 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.937 -0.057 25699 1534 1 15 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.842 -1.549 25699 1535 1 15 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.523 1.073 25699 1536 1 15 . 1 1 23 23 ALA H H 23 8.030 8.030 8.165 -0.135 25699 1537 1 15 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.241 -0.216 25699 1538 1 15 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.750 -0.765 25699 1539 1 15 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.913 -0.040 25699 1540 1 15 . 1 1 24 24 ALA H H 24 7.390 7.390 7.809 -0.419 25699 1541 1 15 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.819 -0.451 25699 1542 1 15 . 1 1 25 25 PHE CA C 25 58.247 58.247 58.701 -0.454 25699 1543 1 15 . 1 1 25 25 PHE CB C 25 39.360 39.360 41.231 -1.871 25699 1544 1 15 . 1 1 25 25 PHE H H 25 7.694 7.694 8.099 -0.405 25699 1545 1 15 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.713 -0.647 25699 1546 1 15 . 1 1 26 26 GLU CA C 26 57.011 57.011 57.714 -0.703 25699 1547 1 15 . 1 1 26 26 GLU CB C 26 30.081 30.081 32.050 -1.969 25699 1548 1 15 . 1 1 26 26 GLU H H 26 8.068 8.068 8.187 -0.119 25699 1549 1 15 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.663 -0.568 25699 1550 1 15 . 1 1 27 27 ARG CA C 27 56.260 56.260 55.623 0.637 25699 1551 1 15 . 1 1 27 27 ARG CB C 27 30.799 30.799 29.542 1.257 25699 1552 1 15 . 1 1 27 27 ARG H H 27 7.976 7.976 8.030 -0.054 25699 1553 1 15 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.024 0.147 25699 1554 1 15 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.151 -1.570 25699 1555 1 15 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.116 1.266 25699 1556 1 15 . 1 1 28 28 ALA H H 28 8.012 8.012 7.723 0.289 25699 1557 1 15 . 1 1 29 29 THR HA H 29 4.112 4.112 4.050 0.062 25699 1558 1 15 . 1 1 29 29 THR CA C 29 61.661 61.661 63.173 -1.512 25699 1559 1 15 . 1 1 29 29 THR CB C 29 70.032 70.032 68.778 1.254 25699 1560 1 15 . 1 1 29 29 THR H H 29 7.723 7.723 7.621 0.102 25699 1561 1 16 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.718 -0.639 25699 1562 1 16 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.643 1.183 25699 1563 1 16 . 1 1 2 2 ALA CB C 2 21.988 21.988 19.957 2.031 25699 1564 1 16 . 1 1 2 2 ALA H H 2 8.067 8.067 8.171 -0.104 25699 1565 1 16 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.382 -0.350 25699 1566 1 16 . 1 1 3 3 GLU CB C 3 29.563 29.563 28.952 0.611 25699 1567 1 16 . 1 1 3 3 GLU H H 3 8.592 8.592 8.659 -0.067 25699 1568 1 16 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.051 0.079 25699 1569 1 16 . 1 1 4 4 LYS CA C 4 56.839 56.839 57.107 -0.268 25699 1570 1 16 . 1 1 4 4 LYS CB C 4 32.806 32.806 31.326 1.480 25699 1571 1 16 . 1 1 4 4 LYS H H 4 8.205 8.205 8.572 -0.367 25699 1572 1 16 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.212 -0.344 25699 1573 1 16 . 1 1 5 5 VAL CA C 5 62.947 62.947 63.080 -0.133 25699 1574 1 16 . 1 1 5 5 VAL CB C 5 32.536 32.536 32.316 0.220 25699 1575 1 16 . 1 1 5 5 VAL H H 5 7.807 7.807 7.771 0.036 25699 1576 1 16 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.492 -0.414 25699 1577 1 16 . 1 1 6 6 ALA CA C 6 53.076 53.076 54.918 -1.842 25699 1578 1 16 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.290 0.717 25699 1579 1 16 . 1 1 6 6 ALA H H 6 8.101 8.101 8.137 -0.036 25699 1580 1 16 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.002 0.070 25699 1581 1 16 . 1 1 7 7 GLN CB C 7 29.413 29.413 27.938 1.475 25699 1582 1 16 . 1 1 7 7 GLN H H 7 8.065 8.065 8.635 -0.570 25699 1583 1 16 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.111 -0.031 25699 1584 1 16 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.103 -1.664 25699 1585 1 16 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.362 0.191 25699 1586 1 16 . 1 1 8 8 GLU H H 8 8.182 8.182 8.449 -0.267 25699 1587 1 16 . 1 1 9 9 LYS HA H 9 4.007 4.007 3.955 0.052 25699 1588 1 16 . 1 1 9 9 LYS CA C 9 57.773 57.773 57.375 0.398 25699 1589 1 16 . 1 1 9 9 LYS CB C 9 32.979 32.979 32.634 0.345 25699 1590 1 16 . 1 1 9 9 LYS H H 9 8.048 8.048 7.499 0.549 25699 1591 1 16 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.141 0.421 25699 1592 1 16 . 1 1 10 10 GLY H H 10 8.305 8.305 7.687 0.618 25699 1593 1 16 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.809 -0.725 25699 1594 1 16 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.961 -0.130 25699 1595 1 16 . 1 1 11 11 PHE H H 11 8.761 8.761 8.318 0.443 25699 1596 1 16 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.821 -0.045 25699 1597 1 16 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.381 0.731 25699 1598 1 16 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.071 0.126 25699 1599 1 16 . 1 1 12 12 LEU H H 12 8.728 8.728 8.140 0.588 25699 1600 1 16 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.070 -0.028 25699 1601 1 16 . 1 1 13 13 TYR CA C 13 61.091 61.091 60.613 0.478 25699 1602 1 16 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.037 -0.181 25699 1603 1 16 . 1 1 13 13 TYR H H 13 8.199 8.199 8.036 0.163 25699 1604 1 16 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.637 0.137 25699 1605 1 16 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.702 2.018 25699 1606 1 16 . 1 1 14 14 ARG H H 14 8.047 8.047 7.543 0.504 25699 1607 1 16 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.127 -0.260 25699 1608 1 16 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.091 4.027 25699 1609 1 16 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.528 2.771 25699 1610 1 16 . 1 1 15 15 LEU H H 15 8.048 8.048 7.209 0.839 25699 1611 1 16 . 1 1 16 16 THR HA H 16 4.079 4.079 4.594 -0.515 25699 1612 1 16 . 1 1 16 16 THR CA C 16 61.604 61.604 59.978 1.626 25699 1613 1 16 . 1 1 16 16 THR CB C 16 66.014 66.014 71.863 -5.849 25699 1614 1 16 . 1 1 16 16 THR H H 16 7.825 7.825 7.753 0.072 25699 1615 1 16 . 1 1 17 17 SER HA H 17 3.925 3.925 3.982 -0.057 25699 1616 1 16 . 1 1 17 17 SER CA C 17 61.613 61.613 62.086 -0.473 25699 1617 1 16 . 1 1 17 17 SER CB C 17 62.836 62.836 63.042 -0.206 25699 1618 1 16 . 1 1 17 17 SER H H 17 7.824 7.824 8.973 -1.149 25699 1619 1 16 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.836 0.161 25699 1620 1 16 . 1 1 18 18 ARG CA C 18 58.150 58.150 58.971 -0.820 25699 1621 1 16 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.355 0.711 25699 1622 1 16 . 1 1 18 18 ARG H H 18 7.580 7.580 8.541 -0.961 25699 1623 1 16 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.385 -0.127 25699 1624 1 16 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.535 -1.038 25699 1625 1 16 . 1 1 19 19 TYR H H 19 7.816 7.816 7.642 0.174 25699 1626 1 16 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.803 -0.085 25699 1627 1 16 . 1 1 20 20 ARG CA C 20 58.939 58.939 60.074 -1.135 25699 1628 1 16 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.866 0.143 25699 1629 1 16 . 1 1 20 20 ARG H H 20 7.864 7.864 7.939 -0.075 25699 1630 1 16 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.304 0.042 25699 1631 1 16 . 1 1 21 21 HIS CA C 21 57.378 57.378 59.056 -1.678 25699 1632 1 16 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.048 -0.388 25699 1633 1 16 . 1 1 21 21 HIS H H 21 7.900 7.900 7.933 -0.033 25699 1634 1 16 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.053 0.138 25699 1635 1 16 . 1 1 22 22 TYR CA C 22 59.853 59.853 61.623 -1.770 25699 1636 1 16 . 1 1 22 22 TYR H H 22 7.680 7.680 7.977 -0.297 25699 1637 1 16 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.164 -0.284 25699 1638 1 16 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.546 -1.253 25699 1639 1 16 . 1 1 23 23 ALA CB C 23 18.596 18.596 18.065 0.531 25699 1640 1 16 . 1 1 23 23 ALA H H 23 8.030 8.030 8.184 -0.154 25699 1641 1 16 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.324 -0.299 25699 1642 1 16 . 1 1 24 24 ALA CA C 24 52.985 52.985 54.047 -1.062 25699 1643 1 16 . 1 1 24 24 ALA CB C 24 18.873 18.873 19.004 -0.131 25699 1644 1 16 . 1 1 24 24 ALA H H 24 7.390 7.390 7.921 -0.531 25699 1645 1 16 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.811 -0.443 25699 1646 1 16 . 1 1 25 25 PHE CA C 25 58.247 58.247 58.792 -0.545 25699 1647 1 16 . 1 1 25 25 PHE CB C 25 39.360 39.360 41.241 -1.881 25699 1648 1 16 . 1 1 25 25 PHE H H 25 7.694 7.694 7.970 -0.276 25699 1649 1 16 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.576 -0.510 25699 1650 1 16 . 1 1 26 26 GLU CA C 26 57.011 57.011 57.560 -0.549 25699 1651 1 16 . 1 1 26 26 GLU CB C 26 30.081 30.081 32.519 -2.438 25699 1652 1 16 . 1 1 26 26 GLU H H 26 8.068 8.068 8.159 -0.091 25699 1653 1 16 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.827 -0.732 25699 1654 1 16 . 1 1 27 27 ARG CA C 27 56.260 56.260 55.622 0.638 25699 1655 1 16 . 1 1 27 27 ARG CB C 27 30.799 30.799 30.911 -0.112 25699 1656 1 16 . 1 1 27 27 ARG H H 27 7.976 7.976 8.446 -0.470 25699 1657 1 16 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.353 -0.182 25699 1658 1 16 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.790 -1.209 25699 1659 1 16 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.661 0.721 25699 1660 1 16 . 1 1 28 28 ALA H H 28 8.012 8.012 8.022 -0.010 25699 1661 1 16 . 1 1 29 29 THR HA H 29 4.112 4.112 4.122 -0.010 25699 1662 1 16 . 1 1 29 29 THR CA C 29 61.661 61.661 62.197 -0.536 25699 1663 1 16 . 1 1 29 29 THR CB C 29 70.032 70.032 68.749 1.284 25699 1664 1 16 . 1 1 29 29 THR H H 29 7.723 7.723 7.789 -0.066 25699 1665 1 17 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.618 -0.539 25699 1666 1 17 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.864 0.962 25699 1667 1 17 . 1 1 2 2 ALA CB C 2 21.988 21.988 19.773 2.216 25699 1668 1 17 . 1 1 2 2 ALA H H 2 8.067 8.067 7.947 0.120 25699 1669 1 17 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.419 -0.387 25699 1670 1 17 . 1 1 3 3 GLU CB C 3 29.563 29.563 31.574 -2.011 25699 1671 1 17 . 1 1 3 3 GLU H H 3 8.592 8.592 8.758 -0.166 25699 1672 1 17 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.387 -0.257 25699 1673 1 17 . 1 1 4 4 LYS CA C 4 56.839 56.839 55.783 1.056 25699 1674 1 17 . 1 1 4 4 LYS CB C 4 32.806 32.806 33.877 -1.071 25699 1675 1 17 . 1 1 4 4 LYS H H 4 8.205 8.205 7.931 0.274 25699 1676 1 17 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.064 -0.196 25699 1677 1 17 . 1 1 5 5 VAL CA C 5 62.947 62.947 61.701 1.246 25699 1678 1 17 . 1 1 5 5 VAL CB C 5 32.536 32.536 33.946 -1.410 25699 1679 1 17 . 1 1 5 5 VAL H H 5 7.807 7.807 7.373 0.434 25699 1680 1 17 . 1 1 6 6 ALA HA H 6 4.078 4.078 3.966 0.112 25699 1681 1 17 . 1 1 6 6 ALA CA C 6 53.076 53.076 52.980 0.096 25699 1682 1 17 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.216 0.791 25699 1683 1 17 . 1 1 6 6 ALA H H 6 8.101 8.101 8.959 -0.858 25699 1684 1 17 . 1 1 7 7 GLN HA H 7 4.072 4.072 3.811 0.261 25699 1685 1 17 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.421 0.992 25699 1686 1 17 . 1 1 7 7 GLN H H 7 8.065 8.065 8.717 -0.652 25699 1687 1 17 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.339 -0.259 25699 1688 1 17 . 1 1 8 8 GLU CA C 8 56.439 56.439 56.308 0.131 25699 1689 1 17 . 1 1 8 8 GLU CB C 8 29.553 29.553 30.022 -0.469 25699 1690 1 17 . 1 1 8 8 GLU H H 8 8.182 8.182 8.380 -0.198 25699 1691 1 17 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.206 -0.199 25699 1692 1 17 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.264 1.509 25699 1693 1 17 . 1 1 9 9 LYS CB C 9 32.979 32.979 34.116 -1.137 25699 1694 1 17 . 1 1 9 9 LYS H H 9 8.048 8.048 7.865 0.183 25699 1695 1 17 . 1 1 10 10 GLY CA C 10 45.562 45.562 44.775 0.787 25699 1696 1 17 . 1 1 10 10 GLY H H 10 8.305 8.305 7.503 0.801 25699 1697 1 17 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.187 -0.103 25699 1698 1 17 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.363 0.468 25699 1699 1 17 . 1 1 11 11 PHE H H 11 8.761 8.761 8.631 0.130 25699 1700 1 17 . 1 1 12 12 LEU HA H 12 3.776 3.776 4.131 -0.355 25699 1701 1 17 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.847 0.265 25699 1702 1 17 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.099 0.098 25699 1703 1 17 . 1 1 12 12 LEU H H 12 8.728 8.728 8.111 0.617 25699 1704 1 17 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.073 -0.031 25699 1705 1 17 . 1 1 13 13 TYR CA C 13 61.091 61.091 60.790 0.301 25699 1706 1 17 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.070 -0.214 25699 1707 1 17 . 1 1 13 13 TYR H H 13 8.199 8.199 8.006 0.193 25699 1708 1 17 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.755 0.019 25699 1709 1 17 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.998 1.721 25699 1710 1 17 . 1 1 14 14 ARG H H 14 8.047 8.047 7.685 0.362 25699 1711 1 17 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.266 -0.399 25699 1712 1 17 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.849 3.269 25699 1713 1 17 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.860 2.439 25699 1714 1 17 . 1 1 15 15 LEU H H 15 8.048 8.048 7.443 0.605 25699 1715 1 17 . 1 1 16 16 THR HA H 16 4.079 4.079 4.569 -0.490 25699 1716 1 17 . 1 1 16 16 THR CA C 16 61.604 61.604 60.455 1.149 25699 1717 1 17 . 1 1 16 16 THR CB C 16 66.014 66.014 71.129 -5.115 25699 1718 1 17 . 1 1 16 16 THR H H 16 7.825 7.825 8.060 -0.235 25699 1719 1 17 . 1 1 17 17 SER HA H 17 3.925 3.925 4.345 -0.420 25699 1720 1 17 . 1 1 17 17 SER CA C 17 61.613 61.613 60.501 1.113 25699 1721 1 17 . 1 1 17 17 SER CB C 17 62.836 62.836 62.767 0.069 25699 1722 1 17 . 1 1 17 17 SER H H 17 7.824 7.824 8.576 -0.752 25699 1723 1 17 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.943 0.054 25699 1724 1 17 . 1 1 18 18 ARG CA C 18 58.150 58.150 58.831 -0.681 25699 1725 1 17 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.268 0.798 25699 1726 1 17 . 1 1 18 18 ARG H H 18 7.580 7.580 8.156 -0.576 25699 1727 1 17 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.262 -0.004 25699 1728 1 17 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.111 -0.614 25699 1729 1 17 . 1 1 19 19 TYR H H 19 7.816 7.816 7.681 0.135 25699 1730 1 17 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.664 0.054 25699 1731 1 17 . 1 1 20 20 ARG CA C 20 58.939 58.939 58.880 0.059 25699 1732 1 17 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.640 0.369 25699 1733 1 17 . 1 1 20 20 ARG H H 20 7.864 7.864 7.755 0.109 25699 1734 1 17 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.462 -0.116 25699 1735 1 17 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.933 -1.555 25699 1736 1 17 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.988 -1.328 25699 1737 1 17 . 1 1 21 21 HIS H H 21 7.900 7.900 7.536 0.364 25699 1738 1 17 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.242 -0.051 25699 1739 1 17 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.887 -1.034 25699 1740 1 17 . 1 1 22 22 TYR H H 22 7.680 7.680 8.457 -0.777 25699 1741 1 17 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.180 -0.300 25699 1742 1 17 . 1 1 23 23 ALA CA C 23 53.293 53.293 55.145 -1.853 25699 1743 1 17 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.515 1.081 25699 1744 1 17 . 1 1 23 23 ALA H H 23 8.030 8.030 8.196 -0.166 25699 1745 1 17 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.253 -0.228 25699 1746 1 17 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.516 -0.531 25699 1747 1 17 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.657 0.216 25699 1748 1 17 . 1 1 24 24 ALA H H 24 7.390 7.390 8.223 -0.834 25699 1749 1 17 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.875 -0.507 25699 1750 1 17 . 1 1 25 25 PHE CA C 25 58.247 58.247 58.776 -0.529 25699 1751 1 17 . 1 1 25 25 PHE CB C 25 39.360 39.360 41.296 -1.936 25699 1752 1 17 . 1 1 25 25 PHE H H 25 7.694 7.694 8.276 -0.582 25699 1753 1 17 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.731 -0.665 25699 1754 1 17 . 1 1 26 26 GLU CA C 26 57.011 57.011 57.755 -0.744 25699 1755 1 17 . 1 1 26 26 GLU CB C 26 30.081 30.081 32.144 -2.063 25699 1756 1 17 . 1 1 26 26 GLU H H 26 8.068 8.068 8.263 -0.195 25699 1757 1 17 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.618 -0.523 25699 1758 1 17 . 1 1 27 27 ARG CA C 27 56.260 56.260 55.602 0.658 25699 1759 1 17 . 1 1 27 27 ARG CB C 27 30.799 30.799 29.573 1.226 25699 1760 1 17 . 1 1 27 27 ARG H H 27 7.976 7.976 8.107 -0.131 25699 1761 1 17 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.043 0.128 25699 1762 1 17 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.188 -1.607 25699 1763 1 17 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.135 1.247 25699 1764 1 17 . 1 1 28 28 ALA H H 28 8.012 8.012 7.747 0.265 25699 1765 1 17 . 1 1 29 29 THR HA H 29 4.112 4.112 4.051 0.061 25699 1766 1 17 . 1 1 29 29 THR CA C 29 61.661 61.661 63.167 -1.506 25699 1767 1 17 . 1 1 29 29 THR CB C 29 70.032 70.032 68.781 1.251 25699 1768 1 17 . 1 1 29 29 THR H H 29 7.723 7.723 7.630 0.093 25699 1769 1 18 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.682 -0.603 25699 1770 1 18 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.775 1.051 25699 1771 1 18 . 1 1 2 2 ALA CB C 2 21.988 21.988 19.111 2.877 25699 1772 1 18 . 1 1 2 2 ALA H H 2 8.067 8.067 7.912 0.155 25699 1773 1 18 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.394 -0.362 25699 1774 1 18 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.746 -1.183 25699 1775 1 18 . 1 1 3 3 GLU H H 3 8.592 8.592 8.653 -0.061 25699 1776 1 18 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.459 -0.329 25699 1777 1 18 . 1 1 4 4 LYS CA C 4 56.839 56.839 56.404 0.435 25699 1778 1 18 . 1 1 4 4 LYS CB C 4 32.806 32.806 33.278 -0.472 25699 1779 1 18 . 1 1 4 4 LYS H H 4 8.205 8.205 8.223 -0.018 25699 1780 1 18 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.247 -0.379 25699 1781 1 18 . 1 1 5 5 VAL CA C 5 62.947 62.947 63.842 -0.895 25699 1782 1 18 . 1 1 5 5 VAL CB C 5 32.536 32.536 32.334 0.202 25699 1783 1 18 . 1 1 5 5 VAL H H 5 7.807 7.807 7.717 0.090 25699 1784 1 18 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.378 -0.300 25699 1785 1 18 . 1 1 6 6 ALA CA C 6 53.076 53.076 54.426 -1.350 25699 1786 1 18 . 1 1 6 6 ALA CB C 6 19.007 19.007 19.030 -0.023 25699 1787 1 18 . 1 1 6 6 ALA H H 6 8.101 8.101 7.851 0.250 25699 1788 1 18 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.005 0.067 25699 1789 1 18 . 1 1 7 7 GLN CB C 7 29.413 29.413 27.596 1.817 25699 1790 1 18 . 1 1 7 7 GLN H H 7 8.065 8.065 8.516 -0.451 25699 1791 1 18 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.058 0.022 25699 1792 1 18 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.242 -1.803 25699 1793 1 18 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.089 0.464 25699 1794 1 18 . 1 1 8 8 GLU H H 8 8.182 8.182 8.424 -0.242 25699 1795 1 18 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.269 -0.262 25699 1796 1 18 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.231 1.542 25699 1797 1 18 . 1 1 9 9 LYS CB C 9 32.979 32.979 34.677 -1.698 25699 1798 1 18 . 1 1 9 9 LYS H H 9 8.048 8.048 7.433 0.615 25699 1799 1 18 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.646 -0.084 25699 1800 1 18 . 1 1 10 10 GLY H H 10 8.305 8.305 7.558 0.747 25699 1801 1 18 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.832 -0.748 25699 1802 1 18 . 1 1 11 11 PHE CB C 11 39.831 39.831 40.002 -0.171 25699 1803 1 18 . 1 1 11 11 PHE H H 11 8.761 8.761 8.301 0.460 25699 1804 1 18 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.808 -0.032 25699 1805 1 18 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.530 0.582 25699 1806 1 18 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.078 0.119 25699 1807 1 18 . 1 1 12 12 LEU H H 12 8.728 8.728 8.055 0.673 25699 1808 1 18 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.030 0.012 25699 1809 1 18 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.195 -0.104 25699 1810 1 18 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.028 -0.172 25699 1811 1 18 . 1 1 13 13 TYR H H 13 8.199 8.199 8.165 0.034 25699 1812 1 18 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.523 0.251 25699 1813 1 18 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.587 2.132 25699 1814 1 18 . 1 1 14 14 ARG H H 14 8.047 8.047 7.510 0.537 25699 1815 1 18 . 1 1 15 15 LEU HA H 15 3.867 3.867 3.997 -0.130 25699 1816 1 18 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.712 3.406 25699 1817 1 18 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.672 2.627 25699 1818 1 18 . 1 1 15 15 LEU H H 15 8.048 8.048 7.018 1.030 25699 1819 1 18 . 1 1 16 16 THR HA H 16 4.079 4.079 4.531 -0.452 25699 1820 1 18 . 1 1 16 16 THR CA C 16 61.604 61.604 60.380 1.224 25699 1821 1 18 . 1 1 16 16 THR CB C 16 66.014 66.014 71.520 -5.506 25699 1822 1 18 . 1 1 16 16 THR H H 16 7.825 7.825 7.943 -0.118 25699 1823 1 18 . 1 1 17 17 SER HA H 17 3.925 3.925 4.105 -0.180 25699 1824 1 18 . 1 1 17 17 SER CA C 17 61.613 61.613 61.645 -0.032 25699 1825 1 18 . 1 1 17 17 SER CB C 17 62.836 62.836 63.014 -0.178 25699 1826 1 18 . 1 1 17 17 SER H H 17 7.824 7.824 8.674 -0.850 25699 1827 1 18 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.834 0.163 25699 1828 1 18 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.015 -0.865 25699 1829 1 18 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.463 0.603 25699 1830 1 18 . 1 1 18 18 ARG H H 18 7.580 7.580 8.535 -0.955 25699 1831 1 18 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.305 -0.047 25699 1832 1 18 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.793 -1.296 25699 1833 1 18 . 1 1 19 19 TYR H H 19 7.816 7.816 7.600 0.216 25699 1834 1 18 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.846 -0.128 25699 1835 1 18 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.923 -0.984 25699 1836 1 18 . 1 1 20 20 ARG CB C 20 30.009 30.009 30.032 -0.023 25699 1837 1 18 . 1 1 20 20 ARG H H 20 7.864 7.864 8.357 -0.493 25699 1838 1 18 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.344 0.002 25699 1839 1 18 . 1 1 21 21 HIS CA C 21 57.378 57.378 59.051 -1.673 25699 1840 1 18 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.635 -0.975 25699 1841 1 18 . 1 1 21 21 HIS H H 21 7.900 7.900 8.138 -0.238 25699 1842 1 18 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.304 -0.113 25699 1843 1 18 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.064 -0.211 25699 1844 1 18 . 1 1 22 22 TYR H H 22 7.680 7.680 7.752 -0.072 25699 1845 1 18 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.399 -0.519 25699 1846 1 18 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.392 -1.099 25699 1847 1 18 . 1 1 23 23 ALA CB C 23 18.596 18.596 18.160 0.436 25699 1848 1 18 . 1 1 23 23 ALA H H 23 8.030 8.030 8.744 -0.714 25699 1849 1 18 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.404 -0.379 25699 1850 1 18 . 1 1 24 24 ALA CA C 24 52.985 52.985 52.801 0.184 25699 1851 1 18 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.587 0.286 25699 1852 1 18 . 1 1 24 24 ALA H H 24 7.390 7.390 8.023 -0.633 25699 1853 1 18 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.614 -0.246 25699 1854 1 18 . 1 1 25 25 PHE CA C 25 58.247 58.247 59.177 -0.930 25699 1855 1 18 . 1 1 25 25 PHE CB C 25 39.360 39.360 40.850 -1.490 25699 1856 1 18 . 1 1 25 25 PHE H H 25 7.694 7.694 7.724 -0.030 25699 1857 1 18 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.101 -0.035 25699 1858 1 18 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.658 -2.647 25699 1859 1 18 . 1 1 26 26 GLU CB C 26 30.081 30.081 29.998 0.083 25699 1860 1 18 . 1 1 26 26 GLU H H 26 8.068 8.068 8.536 -0.468 25699 1861 1 18 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.475 -0.380 25699 1862 1 18 . 1 1 27 27 ARG CA C 27 56.260 56.260 56.197 0.063 25699 1863 1 18 . 1 1 27 27 ARG CB C 27 30.799 30.799 32.801 -2.002 25699 1864 1 18 . 1 1 27 27 ARG H H 27 7.976 7.976 8.019 -0.043 25699 1865 1 18 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.273 -0.102 25699 1866 1 18 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.471 -0.890 25699 1867 1 18 . 1 1 28 28 ALA CB C 28 19.382 19.382 17.200 2.182 25699 1868 1 18 . 1 1 28 28 ALA H H 28 8.012 8.012 8.368 -0.356 25699 1869 1 18 . 1 1 29 29 THR HA H 29 4.112 4.112 4.125 -0.013 25699 1870 1 18 . 1 1 29 29 THR CA C 29 61.661 61.661 62.296 -0.635 25699 1871 1 18 . 1 1 29 29 THR CB C 29 70.032 70.032 68.174 1.858 25699 1872 1 18 . 1 1 29 29 THR H H 29 7.723 7.723 7.843 -0.120 25699 1873 1 19 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.094 -0.015 25699 1874 1 19 . 1 1 2 2 ALA CA C 2 52.826 52.826 52.862 -0.036 25699 1875 1 19 . 1 1 2 2 ALA CB C 2 21.988 21.988 18.154 3.834 25699 1876 1 19 . 1 1 2 2 ALA H H 2 8.067 8.067 7.782 0.285 25699 1877 1 19 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.222 -0.190 25699 1878 1 19 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.037 -0.474 25699 1879 1 19 . 1 1 3 3 GLU H H 3 8.592 8.592 8.804 -0.212 25699 1880 1 19 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.127 0.003 25699 1881 1 19 . 1 1 4 4 LYS CA C 4 56.839 56.839 58.653 -1.813 25699 1882 1 19 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.063 0.743 25699 1883 1 19 . 1 1 4 4 LYS H H 4 8.205 8.205 8.306 -0.101 25699 1884 1 19 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.571 -0.703 25699 1885 1 19 . 1 1 5 5 VAL CA C 5 62.947 62.947 60.181 2.766 25699 1886 1 19 . 1 1 5 5 VAL CB C 5 32.536 32.536 30.587 1.949 25699 1887 1 19 . 1 1 5 5 VAL H H 5 7.807 7.807 7.514 0.293 25699 1888 1 19 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.622 -0.544 25699 1889 1 19 . 1 1 6 6 ALA CA C 6 53.076 53.076 53.475 -0.399 25699 1890 1 19 . 1 1 6 6 ALA CB C 6 19.007 19.007 20.805 -1.798 25699 1891 1 19 . 1 1 6 6 ALA H H 6 8.101 8.101 7.362 0.739 25699 1892 1 19 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.547 -0.475 25699 1893 1 19 . 1 1 7 7 GLN CB C 7 29.413 29.413 30.314 -0.902 25699 1894 1 19 . 1 1 7 7 GLN H H 7 8.065 8.065 7.635 0.430 25699 1895 1 19 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.023 0.057 25699 1896 1 19 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.872 -2.433 25699 1897 1 19 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.183 0.370 25699 1898 1 19 . 1 1 8 8 GLU H H 8 8.182 8.182 7.814 0.368 25699 1899 1 19 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.199 -0.192 25699 1900 1 19 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.620 1.153 25699 1901 1 19 . 1 1 9 9 LYS CB C 9 32.979 32.979 32.852 0.127 25699 1902 1 19 . 1 1 9 9 LYS H H 9 8.048 8.048 7.998 0.050 25699 1903 1 19 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.136 0.425 25699 1904 1 19 . 1 1 10 10 GLY H H 10 8.305 8.305 7.351 0.954 25699 1905 1 19 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.693 -0.609 25699 1906 1 19 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.968 -0.137 25699 1907 1 19 . 1 1 11 11 PHE H H 11 8.761 8.761 8.449 0.312 25699 1908 1 19 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.755 0.021 25699 1909 1 19 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.528 0.584 25699 1910 1 19 . 1 1 12 12 LEU CB C 12 41.197 41.197 40.821 0.376 25699 1911 1 19 . 1 1 12 12 LEU H H 12 8.728 8.728 8.159 0.569 25699 1912 1 19 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.049 -0.007 25699 1913 1 19 . 1 1 13 13 TYR CA C 13 61.091 61.091 60.916 0.175 25699 1914 1 19 . 1 1 13 13 TYR CB C 13 37.856 37.856 37.837 0.019 25699 1915 1 19 . 1 1 13 13 TYR H H 13 8.199 8.199 8.006 0.193 25699 1916 1 19 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.658 0.116 25699 1917 1 19 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.741 1.978 25699 1918 1 19 . 1 1 14 14 ARG H H 14 8.047 8.047 7.628 0.419 25699 1919 1 19 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.190 -0.323 25699 1920 1 19 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.042 4.076 25699 1921 1 19 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.709 2.590 25699 1922 1 19 . 1 1 15 15 LEU H H 15 8.048 8.048 7.364 0.684 25699 1923 1 19 . 1 1 16 16 THR HA H 16 4.079 4.079 4.544 -0.465 25699 1924 1 19 . 1 1 16 16 THR CA C 16 61.604 61.604 59.653 1.951 25699 1925 1 19 . 1 1 16 16 THR CB C 16 66.014 66.014 70.943 -4.929 25699 1926 1 19 . 1 1 16 16 THR H H 16 7.825 7.825 7.705 0.120 25699 1927 1 19 . 1 1 17 17 SER HA H 17 3.925 3.925 4.278 -0.353 25699 1928 1 19 . 1 1 17 17 SER CA C 17 61.613 61.613 60.308 1.305 25699 1929 1 19 . 1 1 17 17 SER CB C 17 62.836 62.836 62.783 0.053 25699 1930 1 19 . 1 1 17 17 SER H H 17 7.824 7.824 8.636 -0.812 25699 1931 1 19 . 1 1 18 18 ARG HA H 18 3.997 3.997 4.013 -0.016 25699 1932 1 19 . 1 1 18 18 ARG CA C 18 58.150 58.150 57.972 0.178 25699 1933 1 19 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.120 0.946 25699 1934 1 19 . 1 1 18 18 ARG H H 18 7.580 7.580 8.235 -0.654 25699 1935 1 19 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.363 -0.105 25699 1936 1 19 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.358 -0.861 25699 1937 1 19 . 1 1 19 19 TYR H H 19 7.816 7.816 7.566 0.250 25699 1938 1 19 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.852 -0.134 25699 1939 1 19 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.034 -0.095 25699 1940 1 19 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.610 0.399 25699 1941 1 19 . 1 1 20 20 ARG H H 20 7.864 7.864 7.719 0.145 25699 1942 1 19 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.482 -0.136 25699 1943 1 19 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.525 -1.147 25699 1944 1 19 . 1 1 21 21 HIS CB C 21 28.660 28.660 30.115 -1.455 25699 1945 1 19 . 1 1 21 21 HIS H H 21 7.900 7.900 7.778 0.122 25699 1946 1 19 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.487 -0.296 25699 1947 1 19 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.117 -0.264 25699 1948 1 19 . 1 1 22 22 TYR H H 22 7.680 7.680 8.030 -0.350 25699 1949 1 19 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.291 -0.411 25699 1950 1 19 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.606 -1.313 25699 1951 1 19 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.626 0.970 25699 1952 1 19 . 1 1 23 23 ALA H H 23 8.030 8.030 8.226 -0.196 25699 1953 1 19 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.408 -0.383 25699 1954 1 19 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.369 -0.384 25699 1955 1 19 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.512 0.361 25699 1956 1 19 . 1 1 24 24 ALA H H 24 7.390 7.390 8.037 -0.647 25699 1957 1 19 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.714 -0.346 25699 1958 1 19 . 1 1 25 25 PHE CA C 25 58.247 58.247 59.292 -1.045 25699 1959 1 19 . 1 1 25 25 PHE CB C 25 39.360 39.360 41.041 -1.681 25699 1960 1 19 . 1 1 25 25 PHE H H 25 7.694 7.694 7.808 -0.114 25699 1961 1 19 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.225 -0.159 25699 1962 1 19 . 1 1 26 26 GLU CA C 26 57.011 57.011 59.664 -2.653 25699 1963 1 19 . 1 1 26 26 GLU CB C 26 30.081 30.081 30.327 -0.246 25699 1964 1 19 . 1 1 26 26 GLU H H 26 8.068 8.068 8.675 -0.607 25699 1965 1 19 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.553 -0.458 25699 1966 1 19 . 1 1 27 27 ARG CA C 27 56.260 56.260 55.794 0.466 25699 1967 1 19 . 1 1 27 27 ARG CB C 27 30.799 30.799 32.673 -1.874 25699 1968 1 19 . 1 1 27 27 ARG H H 27 7.976 7.976 8.042 -0.066 25699 1969 1 19 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.243 -0.072 25699 1970 1 19 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.626 -1.045 25699 1971 1 19 . 1 1 28 28 ALA CB C 28 19.382 19.382 16.721 2.661 25699 1972 1 19 . 1 1 28 28 ALA H H 28 8.012 8.012 8.425 -0.413 25699 1973 1 19 . 1 1 29 29 THR HA H 29 4.112 4.112 4.049 0.063 25699 1974 1 19 . 1 1 29 29 THR CA C 29 61.661 61.661 62.479 -0.818 25699 1975 1 19 . 1 1 29 29 THR CB C 29 70.032 70.032 68.394 1.638 25699 1976 1 19 . 1 1 29 29 THR H H 29 7.723 7.723 7.850 -0.127 25699 1977 1 20 . 1 1 2 2 ALA HA H 2 4.079 4.079 4.701 -0.622 25699 1978 1 20 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.645 1.181 25699 1979 1 20 . 1 1 2 2 ALA CB C 2 21.988 21.988 21.788 0.200 25699 1980 1 20 . 1 1 2 2 ALA H H 2 8.067 8.067 8.389 -0.322 25699 1981 1 20 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.371 -0.339 25699 1982 1 20 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.342 -0.779 25699 1983 1 20 . 1 1 3 3 GLU H H 3 8.592 8.592 8.780 -0.188 25699 1984 1 20 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.129 0.001 25699 1985 1 20 . 1 1 4 4 LYS CA C 4 56.839 56.839 58.704 -1.865 25699 1986 1 20 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.459 0.347 25699 1987 1 20 . 1 1 4 4 LYS H H 4 8.205 8.205 8.089 0.116 25699 1988 1 20 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.088 -0.220 25699 1989 1 20 . 1 1 5 5 VAL CA C 5 62.947 62.947 63.940 -0.993 25699 1990 1 20 . 1 1 5 5 VAL CB C 5 32.536 32.536 31.952 0.584 25699 1991 1 20 . 1 1 5 5 VAL H H 5 7.807 7.807 7.555 0.252 25699 1992 1 20 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.513 -0.435 25699 1993 1 20 . 1 1 6 6 ALA CA C 6 53.076 53.076 53.114 -0.038 25699 1994 1 20 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.224 0.784 25699 1995 1 20 . 1 1 6 6 ALA H H 6 8.101 8.101 7.830 0.271 25699 1996 1 20 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.239 -0.167 25699 1997 1 20 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.583 0.830 25699 1998 1 20 . 1 1 7 7 GLN H H 7 8.065 8.065 7.751 0.314 25699 1999 1 20 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.045 0.035 25699 2000 1 20 . 1 1 8 8 GLU CA C 8 56.439 56.439 58.509 -2.070 25699 2001 1 20 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.424 0.129 25699 2002 1 20 . 1 1 8 8 GLU H H 8 8.182 8.182 8.346 -0.164 25699 2003 1 20 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.470 -0.463 25699 2004 1 20 . 1 1 9 9 LYS CA C 9 57.773 57.773 55.916 1.857 25699 2005 1 20 . 1 1 9 9 LYS CB C 9 32.979 32.979 35.065 -2.086 25699 2006 1 20 . 1 1 9 9 LYS H H 9 8.048 8.048 7.990 0.058 25699 2007 1 20 . 1 1 10 10 GLY CA C 10 45.562 45.562 44.570 0.992 25699 2008 1 20 . 1 1 10 10 GLY H H 10 8.305 8.305 7.548 0.757 25699 2009 1 20 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.250 -0.166 25699 2010 1 20 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.570 0.261 25699 2011 1 20 . 1 1 11 11 PHE H H 11 8.761 8.761 8.652 0.109 25699 2012 1 20 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.809 -0.033 25699 2013 1 20 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.214 0.898 25699 2014 1 20 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.423 -0.226 25699 2015 1 20 . 1 1 12 12 LEU H H 12 8.728 8.728 7.980 0.748 25699 2016 1 20 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.178 -0.136 25699 2017 1 20 . 1 1 13 13 TYR CA C 13 61.091 61.091 60.322 0.769 25699 2018 1 20 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.582 -0.726 25699 2019 1 20 . 1 1 13 13 TYR H H 13 8.199 8.199 7.310 0.889 25699 2020 1 20 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.580 0.194 25699 2021 1 20 . 1 1 14 14 ARG CA C 14 59.719 59.719 56.156 3.563 25699 2022 1 20 . 1 1 14 14 ARG H H 14 8.047 8.047 7.523 0.524 25699 2023 1 20 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.120 -0.254 25699 2024 1 20 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.533 3.585 25699 2025 1 20 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.387 2.912 25699 2026 1 20 . 1 1 15 15 LEU H H 15 8.048 8.048 6.891 1.157 25699 2027 1 20 . 1 1 16 16 THR HA H 16 4.079 4.079 4.535 -0.456 25699 2028 1 20 . 1 1 16 16 THR CA C 16 61.604 61.604 60.133 1.471 25699 2029 1 20 . 1 1 16 16 THR CB C 16 66.014 66.014 71.350 -5.336 25699 2030 1 20 . 1 1 16 16 THR H H 16 7.825 7.825 7.967 -0.142 25699 2031 1 20 . 1 1 17 17 SER HA H 17 3.925 3.925 4.285 -0.360 25699 2032 1 20 . 1 1 17 17 SER CA C 17 61.613 61.613 61.159 0.454 25699 2033 1 20 . 1 1 17 17 SER CB C 17 62.836 62.836 63.017 -0.181 25699 2034 1 20 . 1 1 17 17 SER H H 17 7.824 7.824 8.585 -0.761 25699 2035 1 20 . 1 1 18 18 ARG HA H 18 3.997 3.997 4.187 -0.190 25699 2036 1 20 . 1 1 18 18 ARG CA C 18 58.150 58.150 59.132 -0.982 25699 2037 1 20 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.607 0.459 25699 2038 1 20 . 1 1 18 18 ARG H H 18 7.580 7.580 8.507 -0.927 25699 2039 1 20 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.339 -0.081 25699 2040 1 20 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.301 -0.804 25699 2041 1 20 . 1 1 19 19 TYR H H 19 7.816 7.816 7.812 0.004 25699 2042 1 20 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.738 -0.020 25699 2043 1 20 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.316 -0.377 25699 2044 1 20 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.636 0.373 25699 2045 1 20 . 1 1 20 20 ARG H H 20 7.864 7.864 7.529 0.335 25699 2046 1 20 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.310 0.036 25699 2047 1 20 . 1 1 21 21 HIS CA C 21 57.378 57.378 59.071 -1.693 25699 2048 1 20 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.317 -0.657 25699 2049 1 20 . 1 1 21 21 HIS H H 21 7.900 7.900 7.321 0.579 25699 2050 1 20 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.228 -0.037 25699 2051 1 20 . 1 1 22 22 TYR CA C 22 59.853 59.853 61.371 -1.518 25699 2052 1 20 . 1 1 22 22 TYR H H 22 7.680 7.680 7.908 -0.228 25699 2053 1 20 . 1 1 23 23 ALA HA H 23 3.880 3.880 3.923 -0.043 25699 2054 1 20 . 1 1 23 23 ALA CA C 23 53.293 53.293 54.673 -1.380 25699 2055 1 20 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.715 0.881 25699 2056 1 20 . 1 1 23 23 ALA H H 23 8.030 8.030 7.723 0.307 25699 2057 1 20 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.224 -0.199 25699 2058 1 20 . 1 1 24 24 ALA CA C 24 52.985 52.985 54.041 -1.056 25699 2059 1 20 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.972 -0.099 25699 2060 1 20 . 1 1 24 24 ALA H H 24 7.390 7.390 7.878 -0.488 25699 2061 1 20 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.831 -0.463 25699 2062 1 20 . 1 1 25 25 PHE CA C 25 58.247 58.247 58.723 -0.476 25699 2063 1 20 . 1 1 25 25 PHE CB C 25 39.360 39.360 41.188 -1.828 25699 2064 1 20 . 1 1 25 25 PHE H H 25 7.694 7.694 8.068 -0.374 25699 2065 1 20 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.755 -0.689 25699 2066 1 20 . 1 1 26 26 GLU CA C 26 57.011 57.011 57.715 -0.704 25699 2067 1 20 . 1 1 26 26 GLU CB C 26 30.081 30.081 32.148 -2.067 25699 2068 1 20 . 1 1 26 26 GLU H H 26 8.068 8.068 8.166 -0.098 25699 2069 1 20 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.716 -0.621 25699 2070 1 20 . 1 1 27 27 ARG CA C 27 56.260 56.260 55.939 0.321 25699 2071 1 20 . 1 1 27 27 ARG CB C 27 30.799 30.799 30.203 0.596 25699 2072 1 20 . 1 1 27 27 ARG H H 27 7.976 7.976 8.362 -0.386 25699 2073 1 20 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.086 0.085 25699 2074 1 20 . 1 1 28 28 ALA CA C 28 52.581 52.581 54.243 -1.663 25699 2075 1 20 . 1 1 28 28 ALA CB C 28 19.382 19.382 18.158 1.224 25699 2076 1 20 . 1 1 28 28 ALA H H 28 8.012 8.012 8.029 -0.017 25699 2077 1 20 . 1 1 29 29 THR HA H 29 4.112 4.112 4.134 -0.022 25699 2078 1 20 . 1 1 29 29 THR CA C 29 61.661 61.661 62.753 -1.092 25699 2079 1 20 . 1 1 29 29 THR CB C 29 70.032 70.032 68.992 1.040 25699 2080 1 20 . 1 1 29 29 THR H H 29 7.723 7.723 7.670 0.053 25699 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 25699 2 1 1 "Average Difference" HA 29 0.356 0.013 0.362 25699 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25699 4 1 1 "Average Difference" CA 25 1.723 0.466 1.692 25699 5 1 1 "Average Difference" CB 24 1.506 -0.243 1.518 25699 6 1 1 "Average Difference" HN 28 0.486 -0.101 0.485 25699 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25699 8 1 2 "Average Difference" HA 29 0.304 0.170 0.257 25699 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25699 10 1 2 "Average Difference" CA 25 1.354 -0.098 1.379 25699 11 1 2 "Average Difference" CB 24 1.550 -0.032 1.583 25699 12 1 2 "Average Difference" HN 28 0.497 -0.025 0.505 25699 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25699 14 1 3 "Average Difference" HA 29 0.266 0.182 0.197 25699 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25699 16 1 3 "Average Difference" CA 25 1.413 0.234 1.423 25699 17 1 3 "Average Difference" CB 24 1.699 -0.037 1.735 25699 18 1 3 "Average Difference" HN 28 0.490 -0.033 0.498 25699 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25699 20 1 4 "Average Difference" HA 29 0.260 0.098 0.246 25699 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25699 22 1 4 "Average Difference" CA 25 1.304 0.095 1.327 25699 23 1 4 "Average Difference" CB 24 1.729 -0.285 1.742 25699 24 1 4 "Average Difference" HN 28 0.464 -0.009 0.473 25699 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25699 26 1 5 "Average Difference" HA 29 0.269 0.161 0.219 25699 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25699 28 1 5 "Average Difference" CA 25 1.248 -0.050 1.273 25699 29 1 5 "Average Difference" CB 24 1.671 -0.038 1.707 25699 30 1 5 "Average Difference" HN 28 0.489 0.008 0.498 25699 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25699 32 1 6 "Average Difference" HA 29 0.375 0.239 0.294 25699 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25699 34 1 6 "Average Difference" CA 25 1.404 -0.057 1.431 25699 35 1 6 "Average Difference" CB 24 1.538 -0.086 1.569 25699 36 1 6 "Average Difference" HN 28 0.439 -0.041 0.445 25699 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25699 38 1 7 "Average Difference" HA 29 0.289 0.142 0.256 25699 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25699 40 1 7 "Average Difference" CA 25 1.356 -0.098 1.381 25699 41 1 7 "Average Difference" CB 24 1.934 -0.037 1.975 25699 42 1 7 "Average Difference" HN 28 0.453 -0.077 0.454 25699 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25699 44 1 8 "Average Difference" HA 29 0.274 0.118 0.252 25699 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25699 46 1 8 "Average Difference" CA 25 1.331 -0.096 1.354 25699 47 1 8 "Average Difference" CB 24 1.684 -0.173 1.711 25699 48 1 8 "Average Difference" HN 28 0.537 -0.037 0.546 25699 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25699 50 1 9 "Average Difference" HA 29 0.234 0.067 0.229 25699 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25699 52 1 9 "Average Difference" CA 25 1.379 0.160 1.398 25699 53 1 9 "Average Difference" CB 24 1.770 -0.418 1.756 25699 54 1 9 "Average Difference" HN 28 0.511 -0.061 0.517 25699 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25699 56 1 10 "Average Difference" HA 29 0.267 0.113 0.246 25699 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25699 58 1 10 "Average Difference" CA 25 1.543 0.079 1.572 25699 59 1 10 "Average Difference" CB 24 1.608 -0.356 1.601 25699 60 1 10 "Average Difference" HN 28 0.490 -0.083 0.492 25699 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25699 62 1 11 "Average Difference" HA 29 0.301 0.143 0.269 25699 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25699 64 1 11 "Average Difference" CA 25 1.361 -0.166 1.379 25699 65 1 11 "Average Difference" CB 24 1.639 0.003 1.674 25699 66 1 11 "Average Difference" HN 28 0.543 -0.025 0.552 25699 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25699 68 1 12 "Average Difference" HA 29 0.268 0.110 0.249 25699 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25699 70 1 12 "Average Difference" CA 25 1.340 0.135 1.361 25699 71 1 12 "Average Difference" CB 24 1.627 -0.246 1.643 25699 72 1 12 "Average Difference" HN 28 0.441 -0.063 0.445 25699 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25699 74 1 13 "Average Difference" HA 29 0.298 0.124 0.276 25699 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25699 76 1 13 "Average Difference" CA 25 1.573 -0.055 1.604 25699 77 1 13 "Average Difference" CB 24 1.575 -0.183 1.598 25699 78 1 13 "Average Difference" HN 28 0.488 -0.039 0.496 25699 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25699 80 1 14 "Average Difference" HA 29 0.296 0.201 0.221 25699 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25699 82 1 14 "Average Difference" CA 25 1.319 0.154 1.337 25699 83 1 14 "Average Difference" CB 24 1.629 0.164 1.656 25699 84 1 14 "Average Difference" HN 28 0.435 -0.056 0.440 25699 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25699 86 1 15 "Average Difference" HA 29 0.294 0.161 0.250 25699 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25699 88 1 15 "Average Difference" CA 25 1.391 0.016 1.420 25699 89 1 15 "Average Difference" CB 24 1.767 -0.094 1.802 25699 90 1 15 "Average Difference" HN 28 0.463 -0.008 0.471 25699 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25699 92 1 16 "Average Difference" HA 29 0.321 0.182 0.269 25699 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25699 94 1 16 "Average Difference" CA 25 1.361 0.178 1.378 25699 95 1 16 "Average Difference" CB 24 1.636 -0.085 1.669 25699 96 1 16 "Average Difference" HN 28 0.453 0.055 0.458 25699 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25699 98 1 17 "Average Difference" HA 29 0.300 0.180 0.245 25699 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25699 100 1 17 "Average Difference" CA 25 1.217 -0.147 1.233 25699 101 1 17 "Average Difference" CB 24 1.633 0.146 1.661 25699 102 1 17 "Average Difference" HN 28 0.464 0.051 0.470 25699 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25699 104 1 18 "Average Difference" HA 29 0.294 0.173 0.242 25699 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25699 106 1 18 "Average Difference" CA 25 1.328 0.195 1.341 25699 107 1 18 "Average Difference" CB 24 1.704 0.014 1.741 25699 108 1 18 "Average Difference" HN 28 0.485 0.038 0.492 25699 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25699 110 1 19 "Average Difference" HA 29 0.307 0.210 0.228 25699 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25699 112 1 19 "Average Difference" CA 25 1.537 -0.030 1.569 25699 113 1 19 "Average Difference" CB 24 1.768 -0.147 1.800 25699 114 1 19 "Average Difference" HN 28 0.441 -0.058 0.446 25699 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25699 116 1 20 "Average Difference" HA 29 0.302 0.196 0.234 25699 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25699 118 1 20 "Average Difference" CA 25 1.531 0.065 1.561 25699 119 1 20 "Average Difference" CB 24 1.535 0.140 1.561 25699 120 1 20 "Average Difference" HN 28 0.484 -0.085 0.485 25699 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 25699 _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 ALA HA H 2 4.079 4.079 4.502 -0.423 25699 2 1 . 1 1 2 2 ALA CA C 2 52.826 52.826 51.941 0.885 25699 3 1 . 1 1 2 2 ALA CB C 2 21.988 21.988 19.577 2.411 25699 4 1 . 1 1 2 2 ALA H H 2 8.067 8.067 7.810 0.257 25699 5 1 . 1 1 3 3 GLU HA H 3 4.032 4.032 4.356 -0.324 25699 6 1 . 1 1 3 3 GLU CB C 3 29.563 29.563 30.196 -0.633 25699 7 1 . 1 1 3 3 GLU H H 3 8.592 8.592 8.647 -0.055 25699 8 1 . 1 1 4 4 LYS HA H 4 4.130 4.130 4.258 -0.128 25699 9 1 . 1 1 4 4 LYS CA C 4 56.839 56.839 57.566 -0.727 25699 10 1 . 1 1 4 4 LYS CB C 4 32.806 32.806 32.630 0.176 25699 11 1 . 1 1 4 4 LYS H H 4 8.205 8.205 8.196 0.009 25699 12 1 . 1 1 5 5 VAL HA H 5 3.868 3.868 4.070 -0.202 25699 13 1 . 1 1 5 5 VAL CA C 5 62.947 62.947 63.076 -0.129 25699 14 1 . 1 1 5 5 VAL CB C 5 32.536 32.536 31.826 0.710 25699 15 1 . 1 1 5 5 VAL H H 5 7.807 7.807 7.844 -0.037 25699 16 1 . 1 1 6 6 ALA HA H 6 4.078 4.078 4.344 -0.266 25699 17 1 . 1 1 6 6 ALA CA C 6 53.076 53.076 53.610 -0.534 25699 18 1 . 1 1 6 6 ALA CB C 6 19.007 19.007 18.943 0.064 25699 19 1 . 1 1 6 6 ALA H H 6 8.101 8.101 7.829 0.272 25699 20 1 . 1 1 7 7 GLN HA H 7 4.072 4.072 4.153 -0.081 25699 21 1 . 1 1 7 7 GLN CB C 7 29.413 29.413 28.603 0.810 25699 22 1 . 1 1 7 7 GLN H H 7 8.065 8.065 8.245 -0.180 25699 23 1 . 1 1 8 8 GLU HA H 8 4.080 4.080 4.119 -0.039 25699 24 1 . 1 1 8 8 GLU CA C 8 56.439 56.439 57.679 -1.240 25699 25 1 . 1 1 8 8 GLU CB C 8 29.553 29.553 29.594 -0.041 25699 26 1 . 1 1 8 8 GLU H H 8 8.182 8.182 8.015 0.167 25699 27 1 . 1 1 9 9 LYS HA H 9 4.007 4.007 4.130 -0.123 25699 28 1 . 1 1 9 9 LYS CA C 9 57.773 57.773 56.614 1.159 25699 29 1 . 1 1 9 9 LYS CB C 9 32.979 32.979 32.723 0.256 25699 30 1 . 1 1 9 9 LYS H H 9 8.048 8.048 8.070 -0.022 25699 31 1 . 1 1 10 10 GLY CA C 10 45.562 45.562 45.067 0.495 25699 32 1 . 1 1 10 10 GLY H H 10 8.305 8.305 7.550 0.755 25699 33 1 . 1 1 11 11 PHE HA H 11 4.084 4.084 4.564 -0.480 25699 34 1 . 1 1 11 11 PHE CB C 11 39.831 39.831 39.697 0.134 25699 35 1 . 1 1 11 11 PHE H H 11 8.761 8.761 8.460 0.301 25699 36 1 . 1 1 12 12 LEU HA H 12 3.776 3.776 3.899 -0.123 25699 37 1 . 1 1 12 12 LEU CA C 12 58.112 58.112 57.516 0.596 25699 38 1 . 1 1 12 12 LEU CB C 12 41.197 41.197 41.022 0.175 25699 39 1 . 1 1 12 12 LEU H H 12 8.728 8.728 8.086 0.642 25699 40 1 . 1 1 13 13 TYR HA H 13 4.042 4.042 4.051 -0.009 25699 41 1 . 1 1 13 13 TYR CA C 13 61.091 61.091 61.003 0.088 25699 42 1 . 1 1 13 13 TYR CB C 13 37.856 37.856 38.148 -0.292 25699 43 1 . 1 1 13 13 TYR H H 13 8.199 8.199 7.917 0.282 25699 44 1 . 1 1 14 14 ARG HA H 14 3.774 3.774 3.637 0.137 25699 45 1 . 1 1 14 14 ARG CA C 14 59.719 59.719 57.589 2.130 25699 46 1 . 1 1 14 14 ARG H H 14 8.047 8.047 7.558 0.489 25699 47 1 . 1 1 15 15 LEU HA H 15 3.867 3.867 4.122 -0.255 25699 48 1 . 1 1 15 15 LEU CA C 15 58.118 58.118 54.485 3.633 25699 49 1 . 1 1 15 15 LEU CB C 15 42.299 42.299 39.601 2.698 25699 50 1 . 1 1 15 15 LEU H H 15 8.048 8.048 7.184 0.864 25699 51 1 . 1 1 16 16 THR HA H 16 4.079 4.079 4.546 -0.467 25699 52 1 . 1 1 16 16 THR CA C 16 61.604 61.604 59.954 1.650 25699 53 1 . 1 1 16 16 THR CB C 16 66.014 66.014 71.546 -5.532 25699 54 1 . 1 1 16 16 THR H H 16 7.825 7.825 7.942 -0.117 25699 55 1 . 1 1 17 17 SER HA H 17 3.925 3.925 4.144 -0.219 25699 56 1 . 1 1 17 17 SER CA C 17 61.613 61.613 61.082 0.531 25699 57 1 . 1 1 17 17 SER CB C 17 62.836 62.836 62.981 -0.145 25699 58 1 . 1 1 17 17 SER H H 17 7.824 7.824 8.701 -0.877 25699 59 1 . 1 1 18 18 ARG HA H 18 3.997 3.997 3.874 0.123 25699 60 1 . 1 1 18 18 ARG CA C 18 58.150 58.150 58.847 -0.696 25699 61 1 . 1 1 18 18 ARG CB C 18 30.066 30.066 29.386 0.680 25699 62 1 . 1 1 18 18 ARG H H 18 7.580 7.580 8.389 -0.809 25699 63 1 . 1 1 19 19 TYR HA H 19 4.258 4.258 4.329 -0.071 25699 64 1 . 1 1 19 19 TYR CA C 19 60.497 60.497 61.501 -1.004 25699 65 1 . 1 1 19 19 TYR H H 19 7.816 7.816 7.608 0.208 25699 66 1 . 1 1 20 20 ARG HA H 20 3.718 3.718 3.762 -0.044 25699 67 1 . 1 1 20 20 ARG CA C 20 58.939 58.939 59.364 -0.425 25699 68 1 . 1 1 20 20 ARG CB C 20 30.009 30.009 29.819 0.190 25699 69 1 . 1 1 20 20 ARG H H 20 7.864 7.864 7.855 0.009 25699 70 1 . 1 1 21 21 HIS HA H 21 4.346 4.346 4.370 -0.024 25699 71 1 . 1 1 21 21 HIS CA C 21 57.378 57.378 58.596 -1.218 25699 72 1 . 1 1 21 21 HIS CB C 21 28.660 28.660 29.807 -1.147 25699 73 1 . 1 1 21 21 HIS H H 21 7.900 7.900 7.717 0.183 25699 74 1 . 1 1 22 22 TYR HA H 22 4.191 4.191 4.315 -0.124 25699 75 1 . 1 1 22 22 TYR CA C 22 59.853 59.853 60.351 -0.498 25699 76 1 . 1 1 22 22 TYR H H 22 7.680 7.680 7.988 -0.308 25699 77 1 . 1 1 23 23 ALA HA H 23 3.880 3.880 4.268 -0.388 25699 78 1 . 1 1 23 23 ALA CA C 23 53.293 53.293 53.965 -0.672 25699 79 1 . 1 1 23 23 ALA CB C 23 18.596 18.596 17.751 0.845 25699 80 1 . 1 1 23 23 ALA H H 23 8.030 8.030 8.145 -0.115 25699 81 1 . 1 1 24 24 ALA HA H 24 4.025 4.025 4.223 -0.198 25699 82 1 . 1 1 24 24 ALA CA C 24 52.985 52.985 53.524 -0.539 25699 83 1 . 1 1 24 24 ALA CB C 24 18.873 18.873 18.776 0.097 25699 84 1 . 1 1 24 24 ALA H H 24 7.390 7.390 7.864 -0.474 25699 85 1 . 1 1 25 25 PHE HA H 25 4.368 4.368 4.694 -0.326 25699 86 1 . 1 1 25 25 PHE CA C 25 58.247 58.247 59.207 -0.960 25699 87 1 . 1 1 25 25 PHE CB C 25 39.360 39.360 40.558 -1.198 25699 88 1 . 1 1 25 25 PHE H H 25 7.694 7.694 7.772 -0.078 25699 89 1 . 1 1 26 26 GLU HA H 26 4.066 4.066 4.336 -0.271 25699 90 1 . 1 1 26 26 GLU CA C 26 57.011 57.011 58.800 -1.789 25699 91 1 . 1 1 26 26 GLU CB C 26 30.081 30.081 30.508 -0.427 25699 92 1 . 1 1 26 26 GLU H H 26 8.068 8.068 8.441 -0.373 25699 93 1 . 1 1 27 27 ARG HA H 27 4.095 4.095 4.448 -0.353 25699 94 1 . 1 1 27 27 ARG CA C 27 56.260 56.260 55.584 0.676 25699 95 1 . 1 1 27 27 ARG CB C 27 30.799 30.799 31.099 -0.300 25699 96 1 . 1 1 27 27 ARG H H 27 7.976 7.976 7.874 0.102 25699 97 1 . 1 1 28 28 ALA HA H 28 4.171 4.171 4.171 -0.000 25699 98 1 . 1 1 28 28 ALA CA C 28 52.581 52.581 53.908 -1.327 25699 99 1 . 1 1 28 28 ALA CB C 28 19.382 19.382 17.665 1.717 25699 100 1 . 1 1 28 28 ALA H H 28 8.012 8.012 7.995 0.017 25699 101 1 . 1 1 29 29 THR HA H 29 4.112 4.112 4.108 0.004 25699 102 1 . 1 1 29 29 THR CA C 29 61.661 61.661 62.972 -1.311 25699 103 1 . 1 1 29 29 THR CB C 29 70.032 70.032 68.886 1.146 25699 104 1 . 1 1 29 29 THR H H 29 7.723 7.723 7.926 -0.203 25699 stop_ save_