data_25782 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25782 _Entry.PDB_ID 2N6U 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 25782 _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 LEU HA H 2 4.654 4.654 4.447 0.207 25782 2 1 1 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.322 -4.253 25782 3 1 1 . 1 1 2 2 LEU H H 2 8.218 8.218 8.561 -0.343 25782 4 1 1 . 1 1 3 3 THR HA H 3 4.427 4.427 4.163 0.264 25782 5 1 1 . 1 1 3 3 THR CA C 3 58.900 58.900 61.723 -2.823 25782 6 1 1 . 1 1 3 3 THR CB C 3 69.080 69.080 69.744 -0.664 25782 7 1 1 . 1 1 3 3 THR H H 3 7.153 7.153 7.603 -0.450 25782 8 1 1 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.557 1.244 25782 9 1 1 . 1 1 4 4 GLN CA C 4 51.903 51.903 53.917 -2.014 25782 10 1 1 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.213 -2.176 25782 11 1 1 . 1 1 4 4 GLN H H 4 8.138 8.138 8.150 -0.012 25782 12 1 1 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.365 -0.268 25782 13 1 1 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.303 -3.414 25782 14 1 1 . 1 1 5 5 ILE H H 5 7.613 7.613 7.329 0.284 25782 15 1 1 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.638 -0.365 25782 16 1 1 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.415 -1.848 25782 17 1 1 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.976 -3.166 25782 18 1 1 . 1 1 6 6 GLN H H 6 8.982 8.982 8.932 0.050 25782 19 1 1 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.492 -0.439 25782 20 1 1 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.356 -1.730 25782 21 1 1 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.482 -4.353 25782 22 1 1 . 1 1 7 7 ALA H H 7 8.226 8.226 8.380 -0.154 25782 23 1 1 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.304 -0.317 25782 24 1 1 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.783 -1.601 25782 25 1 1 . 1 1 8 8 LEU CB C 8 39.472 39.472 40.987 -1.515 25782 26 1 1 . 1 1 8 8 LEU H H 8 7.617 7.617 8.358 -0.741 25782 27 1 1 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.628 -0.264 25782 28 1 1 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.865 -3.448 25782 29 1 1 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.165 -1.133 25782 30 1 1 . 1 1 9 9 ASP H H 9 7.375 7.375 8.125 -0.750 25782 31 1 1 . 1 1 10 10 SER HA H 10 4.224 4.224 4.264 -0.040 25782 32 1 1 . 1 1 10 10 SER CA C 10 57.758 57.758 60.953 -3.195 25782 33 1 1 . 1 1 10 10 SER CB C 10 58.172 58.172 63.652 -5.480 25782 34 1 1 . 1 1 10 10 SER H H 10 9.635 9.635 8.582 1.053 25782 35 1 1 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.126 -0.082 25782 36 1 1 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.953 -0.845 25782 37 1 1 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.317 -2.913 25782 38 1 1 . 1 1 11 11 VAL H H 11 8.955 8.955 8.586 0.369 25782 39 1 1 . 1 1 12 12 SER HA H 12 4.483 4.483 4.572 -0.089 25782 40 1 1 . 1 1 12 12 SER CA C 12 55.522 55.522 57.866 -2.344 25782 41 1 1 . 1 1 12 12 SER CB C 12 61.278 61.278 65.167 -3.889 25782 42 1 1 . 1 1 12 12 SER H H 12 7.700 7.700 8.595 -0.895 25782 43 1 1 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.684 -2.398 25782 44 1 1 . 1 1 13 13 GLY H H 13 8.790 8.790 8.251 0.539 25782 45 1 1 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.216 0.085 25782 46 1 1 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.589 -3.083 25782 47 1 1 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.656 -2.283 25782 48 1 1 . 1 1 14 14 GLN H H 14 8.160 8.160 8.247 -0.087 25782 49 1 1 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.263 0.134 25782 50 1 1 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.138 -2.634 25782 51 1 1 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.383 -3.348 25782 52 1 1 . 1 1 15 15 PHE H H 15 8.170 8.170 7.446 0.724 25782 53 1 1 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.333 -0.741 25782 54 1 1 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.757 -2.596 25782 55 1 1 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.924 -2.882 25782 56 1 1 . 1 1 16 16 ARG H H 16 8.904 8.904 8.800 0.104 25782 57 1 1 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.499 -0.168 25782 58 1 1 . 1 1 17 17 ASP CB C 17 36.517 36.517 42.110 -5.593 25782 59 1 1 . 1 1 17 17 ASP H H 17 8.505 8.505 8.851 -0.346 25782 60 1 1 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.110 -0.221 25782 61 1 1 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.051 -3.805 25782 62 1 1 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.874 -2.371 25782 63 1 1 . 1 1 18 18 GLN H H 18 8.606 8.606 8.471 0.135 25782 64 1 1 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.131 0.142 25782 65 1 1 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.528 -3.161 25782 66 1 1 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.137 -2.497 25782 67 1 1 . 1 1 19 19 LEU H H 19 8.305 8.305 8.138 0.167 25782 68 1 2 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.403 0.251 25782 69 1 2 . 1 1 2 2 LEU CB C 2 38.069 38.069 41.938 -3.869 25782 70 1 2 . 1 1 2 2 LEU H H 2 8.218 8.218 8.582 -0.364 25782 71 1 2 . 1 1 3 3 THR HA H 3 4.427 4.427 4.222 0.205 25782 72 1 2 . 1 1 3 3 THR CA C 3 58.900 58.900 61.612 -2.712 25782 73 1 2 . 1 1 3 3 THR CB C 3 69.080 69.080 69.793 -0.713 25782 74 1 2 . 1 1 3 3 THR H H 3 7.153 7.153 7.799 -0.646 25782 75 1 2 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.092 0.709 25782 76 1 2 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.345 -2.442 25782 77 1 2 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.934 -2.897 25782 78 1 2 . 1 1 4 4 GLN H H 4 8.138 8.138 8.260 -0.122 25782 79 1 2 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.213 -0.116 25782 80 1 2 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.247 -3.358 25782 81 1 2 . 1 1 5 5 ILE H H 5 7.613 7.613 7.053 0.560 25782 82 1 2 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.728 -0.455 25782 83 1 2 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.538 -1.971 25782 84 1 2 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.357 -2.547 25782 85 1 2 . 1 1 6 6 GLN H H 6 8.982 8.982 8.850 0.132 25782 86 1 2 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.595 -0.542 25782 87 1 2 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.466 -1.840 25782 88 1 2 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.492 -4.363 25782 89 1 2 . 1 1 7 7 ALA H H 7 8.226 8.226 8.501 -0.275 25782 90 1 2 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.506 -0.519 25782 91 1 2 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.042 -0.861 25782 92 1 2 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.953 -2.481 25782 93 1 2 . 1 1 8 8 LEU H H 8 7.617 7.617 8.223 -0.606 25782 94 1 2 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.694 -0.330 25782 95 1 2 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.398 -2.981 25782 96 1 2 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.273 -1.241 25782 97 1 2 . 1 1 9 9 ASP H H 9 7.375 7.375 8.422 -1.047 25782 98 1 2 . 1 1 10 10 SER HA H 10 4.224 4.224 4.186 0.038 25782 99 1 2 . 1 1 10 10 SER CA C 10 57.758 57.758 60.956 -3.198 25782 100 1 2 . 1 1 10 10 SER CB C 10 58.172 58.172 63.572 -5.401 25782 101 1 2 . 1 1 10 10 SER H H 10 9.635 9.635 9.170 0.465 25782 102 1 2 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.130 -0.086 25782 103 1 2 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.757 -0.649 25782 104 1 2 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.147 -2.743 25782 105 1 2 . 1 1 11 11 VAL H H 11 8.955 8.955 8.455 0.500 25782 106 1 2 . 1 1 12 12 SER HA H 12 4.483 4.483 4.635 -0.152 25782 107 1 2 . 1 1 12 12 SER CA C 12 55.522 55.522 57.481 -1.960 25782 108 1 2 . 1 1 12 12 SER CB C 12 61.278 61.278 65.392 -4.114 25782 109 1 2 . 1 1 12 12 SER H H 12 7.700 7.700 7.956 -0.256 25782 110 1 2 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.958 -2.672 25782 111 1 2 . 1 1 13 13 GLY H H 13 8.790 8.790 8.558 0.232 25782 112 1 2 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.399 -0.098 25782 113 1 2 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.587 -2.081 25782 114 1 2 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.702 -3.329 25782 115 1 2 . 1 1 14 14 GLN H H 14 8.160 8.160 8.057 0.103 25782 116 1 2 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.479 -0.082 25782 117 1 2 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.377 -1.873 25782 118 1 2 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.732 -2.697 25782 119 1 2 . 1 1 15 15 PHE H H 15 8.170 8.170 7.653 0.517 25782 120 1 2 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.299 -0.707 25782 121 1 2 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.058 -2.897 25782 122 1 2 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.648 -2.606 25782 123 1 2 . 1 1 16 16 ARG H H 16 8.904 8.904 8.510 0.394 25782 124 1 2 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.702 -0.371 25782 125 1 2 . 1 1 17 17 ASP CB C 17 36.517 36.517 42.057 -5.540 25782 126 1 2 . 1 1 17 17 ASP H H 17 8.505 8.505 8.810 -0.305 25782 127 1 2 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.135 -0.246 25782 128 1 2 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.128 -3.882 25782 129 1 2 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.013 -2.510 25782 130 1 2 . 1 1 18 18 GLN H H 18 8.606 8.606 8.829 -0.223 25782 131 1 2 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.659 -0.386 25782 132 1 2 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.244 -1.877 25782 133 1 2 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.598 -2.958 25782 134 1 2 . 1 1 19 19 LEU H H 19 8.305 8.305 7.852 0.453 25782 135 1 3 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.642 0.012 25782 136 1 3 . 1 1 2 2 LEU CB C 2 38.069 38.069 41.164 -3.095 25782 137 1 3 . 1 1 2 2 LEU H H 2 8.218 8.218 8.630 -0.412 25782 138 1 3 . 1 1 3 3 THR HA H 3 4.427 4.427 4.516 -0.089 25782 139 1 3 . 1 1 3 3 THR CA C 3 58.900 58.900 60.103 -1.203 25782 140 1 3 . 1 1 3 3 THR CB C 3 69.080 69.080 71.064 -1.984 25782 141 1 3 . 1 1 3 3 THR H H 3 7.153 7.153 7.626 -0.473 25782 142 1 3 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.910 0.891 25782 143 1 3 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.116 -2.213 25782 144 1 3 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.724 -2.687 25782 145 1 3 . 1 1 4 4 GLN H H 4 8.138 8.138 8.277 -0.139 25782 146 1 3 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.289 -0.192 25782 147 1 3 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.730 -3.841 25782 148 1 3 . 1 1 5 5 ILE H H 5 7.613 7.613 7.082 0.531 25782 149 1 3 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.702 -0.429 25782 150 1 3 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.565 -1.998 25782 151 1 3 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.376 -2.566 25782 152 1 3 . 1 1 6 6 GLN H H 6 8.982 8.982 8.941 0.041 25782 153 1 3 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.605 -0.552 25782 154 1 3 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.034 -1.408 25782 155 1 3 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.612 -4.483 25782 156 1 3 . 1 1 7 7 ALA H H 7 8.226 8.226 8.272 -0.046 25782 157 1 3 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.288 -0.301 25782 158 1 3 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.835 -1.653 25782 159 1 3 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.657 -3.185 25782 160 1 3 . 1 1 8 8 LEU H H 8 7.617 7.617 8.299 -0.682 25782 161 1 3 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.781 -0.417 25782 162 1 3 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.088 -2.671 25782 163 1 3 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.560 -1.528 25782 164 1 3 . 1 1 9 9 ASP H H 9 7.375 7.375 8.476 -1.101 25782 165 1 3 . 1 1 10 10 SER HA H 10 4.224 4.224 4.174 0.050 25782 166 1 3 . 1 1 10 10 SER CA C 10 57.758 57.758 60.533 -2.775 25782 167 1 3 . 1 1 10 10 SER CB C 10 58.172 58.172 63.656 -5.484 25782 168 1 3 . 1 1 10 10 SER H H 10 9.635 9.635 8.954 0.681 25782 169 1 3 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.243 -0.199 25782 170 1 3 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.624 -0.516 25782 171 1 3 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.726 -3.322 25782 172 1 3 . 1 1 11 11 VAL H H 11 8.955 8.955 8.643 0.312 25782 173 1 3 . 1 1 12 12 SER HA H 12 4.483 4.483 4.615 -0.132 25782 174 1 3 . 1 1 12 12 SER CA C 12 55.522 55.522 57.542 -2.020 25782 175 1 3 . 1 1 12 12 SER CB C 12 61.278 61.278 65.342 -4.064 25782 176 1 3 . 1 1 12 12 SER H H 12 7.700 7.700 8.193 -0.493 25782 177 1 3 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.052 -2.766 25782 178 1 3 . 1 1 13 13 GLY H H 13 8.790 8.790 8.536 0.254 25782 179 1 3 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.346 -0.045 25782 180 1 3 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.640 -2.134 25782 181 1 3 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.336 -2.963 25782 182 1 3 . 1 1 14 14 GLN H H 14 8.160 8.160 8.152 0.008 25782 183 1 3 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.368 0.029 25782 184 1 3 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.648 -2.144 25782 185 1 3 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.135 -3.100 25782 186 1 3 . 1 1 15 15 PHE H H 15 8.170 8.170 7.496 0.674 25782 187 1 3 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.459 -0.867 25782 188 1 3 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.701 -2.540 25782 189 1 3 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.664 -2.622 25782 190 1 3 . 1 1 16 16 ARG H H 16 8.904 8.904 8.946 -0.042 25782 191 1 3 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.686 -0.355 25782 192 1 3 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.504 -4.987 25782 193 1 3 . 1 1 17 17 ASP H H 17 8.505 8.505 8.730 -0.225 25782 194 1 3 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.178 -0.289 25782 195 1 3 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.177 -2.931 25782 196 1 3 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.008 -2.505 25782 197 1 3 . 1 1 18 18 GLN H H 18 8.606 8.606 8.611 -0.005 25782 198 1 3 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.124 0.149 25782 199 1 3 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.354 -2.987 25782 200 1 3 . 1 1 19 19 LEU CB C 19 39.640 39.640 40.280 -0.640 25782 201 1 3 . 1 1 19 19 LEU H H 19 8.305 8.305 8.084 0.221 25782 202 1 4 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.417 0.237 25782 203 1 4 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.725 -4.656 25782 204 1 4 . 1 1 2 2 LEU H H 2 8.218 8.218 8.719 -0.501 25782 205 1 4 . 1 1 3 3 THR HA H 3 4.427 4.427 4.180 0.247 25782 206 1 4 . 1 1 3 3 THR CA C 3 58.900 58.900 62.204 -3.304 25782 207 1 4 . 1 1 3 3 THR CB C 3 69.080 69.080 69.432 -0.352 25782 208 1 4 . 1 1 3 3 THR H H 3 7.153 7.153 7.659 -0.506 25782 209 1 4 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.756 0.045 25782 210 1 4 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.715 -2.812 25782 211 1 4 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.337 -3.300 25782 212 1 4 . 1 1 4 4 GLN H H 4 8.138 8.138 8.436 -0.298 25782 213 1 4 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.212 -0.115 25782 214 1 4 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.268 -4.379 25782 215 1 4 . 1 1 5 5 ILE H H 5 7.613 7.613 7.421 0.192 25782 216 1 4 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.944 -0.671 25782 217 1 4 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.197 -0.630 25782 218 1 4 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.688 -2.878 25782 219 1 4 . 1 1 6 6 GLN H H 6 8.982 8.982 8.688 0.294 25782 220 1 4 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.486 -0.433 25782 221 1 4 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.245 -1.619 25782 222 1 4 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.055 -3.926 25782 223 1 4 . 1 1 7 7 ALA H H 7 8.226 8.226 8.195 0.031 25782 224 1 4 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.283 -0.296 25782 225 1 4 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.879 -1.697 25782 226 1 4 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.891 -2.419 25782 227 1 4 . 1 1 8 8 LEU H H 8 7.617 7.617 8.243 -0.626 25782 228 1 4 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.714 -0.350 25782 229 1 4 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.064 -2.647 25782 230 1 4 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.430 -1.398 25782 231 1 4 . 1 1 9 9 ASP H H 9 7.375 7.375 8.388 -1.013 25782 232 1 4 . 1 1 10 10 SER HA H 10 4.224 4.224 4.258 -0.034 25782 233 1 4 . 1 1 10 10 SER CA C 10 57.758 57.758 60.608 -2.850 25782 234 1 4 . 1 1 10 10 SER CB C 10 58.172 58.172 63.726 -5.554 25782 235 1 4 . 1 1 10 10 SER H H 10 9.635 9.635 8.896 0.739 25782 236 1 4 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.225 -0.181 25782 237 1 4 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.878 -0.770 25782 238 1 4 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.842 -3.438 25782 239 1 4 . 1 1 11 11 VAL H H 11 8.955 8.955 8.722 0.233 25782 240 1 4 . 1 1 12 12 SER HA H 12 4.483 4.483 4.609 -0.126 25782 241 1 4 . 1 1 12 12 SER CA C 12 55.522 55.522 57.614 -2.092 25782 242 1 4 . 1 1 12 12 SER CB C 12 61.278 61.278 65.291 -4.013 25782 243 1 4 . 1 1 12 12 SER H H 12 7.700 7.700 8.280 -0.580 25782 244 1 4 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.050 -2.764 25782 245 1 4 . 1 1 13 13 GLY H H 13 8.790 8.790 8.527 0.263 25782 246 1 4 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.437 -0.136 25782 247 1 4 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.457 -1.951 25782 248 1 4 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.633 -3.260 25782 249 1 4 . 1 1 14 14 GLN H H 14 8.160 8.160 7.961 0.199 25782 250 1 4 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.298 0.099 25782 251 1 4 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.365 -1.861 25782 252 1 4 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.889 -2.854 25782 253 1 4 . 1 1 15 15 PHE H H 15 8.170 8.170 7.616 0.554 25782 254 1 4 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.429 -0.837 25782 255 1 4 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.544 -2.383 25782 256 1 4 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.496 -2.454 25782 257 1 4 . 1 1 16 16 ARG H H 16 8.904 8.904 9.112 -0.208 25782 258 1 4 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.732 -0.401 25782 259 1 4 . 1 1 17 17 ASP CB C 17 36.517 36.517 42.363 -5.846 25782 260 1 4 . 1 1 17 17 ASP H H 17 8.505 8.505 8.691 -0.186 25782 261 1 4 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.073 -0.184 25782 262 1 4 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.608 -4.362 25782 263 1 4 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.607 -2.104 25782 264 1 4 . 1 1 18 18 GLN H H 18 8.606 8.606 8.817 -0.211 25782 265 1 4 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.269 0.004 25782 266 1 4 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.986 -2.619 25782 267 1 4 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.030 -2.390 25782 268 1 4 . 1 1 19 19 LEU H H 19 8.305 8.305 8.076 0.229 25782 269 1 5 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.325 0.329 25782 270 1 5 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.234 -4.165 25782 271 1 5 . 1 1 2 2 LEU H H 2 8.218 8.218 8.522 -0.304 25782 272 1 5 . 1 1 3 3 THR HA H 3 4.427 4.427 4.070 0.357 25782 273 1 5 . 1 1 3 3 THR CA C 3 58.900 58.900 62.374 -3.474 25782 274 1 5 . 1 1 3 3 THR CB C 3 69.080 69.080 69.546 -0.466 25782 275 1 5 . 1 1 3 3 THR H H 3 7.153 7.153 7.875 -0.722 25782 276 1 5 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.484 0.317 25782 277 1 5 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.596 -2.692 25782 278 1 5 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.297 -3.260 25782 279 1 5 . 1 1 4 4 GLN H H 4 8.138 8.138 8.436 -0.298 25782 280 1 5 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.206 -0.109 25782 281 1 5 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.606 -3.717 25782 282 1 5 . 1 1 5 5 ILE H H 5 7.613 7.613 7.547 0.066 25782 283 1 5 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.576 -0.303 25782 284 1 5 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.405 -0.838 25782 285 1 5 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.492 -2.683 25782 286 1 5 . 1 1 6 6 GLN H H 6 8.982 8.982 8.714 0.268 25782 287 1 5 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.706 -0.653 25782 288 1 5 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.289 -1.663 25782 289 1 5 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.813 -4.684 25782 290 1 5 . 1 1 7 7 ALA H H 7 8.226 8.226 8.447 -0.221 25782 291 1 5 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.573 -0.586 25782 292 1 5 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.142 -0.960 25782 293 1 5 . 1 1 8 8 LEU CB C 8 39.472 39.472 44.078 -4.606 25782 294 1 5 . 1 1 8 8 LEU H H 8 7.617 7.617 8.150 -0.533 25782 295 1 5 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.856 -0.492 25782 296 1 5 . 1 1 9 9 ASP CA C 9 51.417 51.417 53.637 -2.220 25782 297 1 5 . 1 1 9 9 ASP CB C 9 41.032 41.032 43.334 -2.302 25782 298 1 5 . 1 1 9 9 ASP H H 9 7.375 7.375 8.528 -1.153 25782 299 1 5 . 1 1 10 10 SER HA H 10 4.224 4.224 4.291 -0.067 25782 300 1 5 . 1 1 10 10 SER CA C 10 57.758 57.758 60.806 -3.048 25782 301 1 5 . 1 1 10 10 SER CB C 10 58.172 58.172 63.727 -5.555 25782 302 1 5 . 1 1 10 10 SER H H 10 9.635 9.635 9.297 0.338 25782 303 1 5 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.184 -0.140 25782 304 1 5 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.974 -0.866 25782 305 1 5 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.229 -2.825 25782 306 1 5 . 1 1 11 11 VAL H H 11 8.955 8.955 8.265 0.690 25782 307 1 5 . 1 1 12 12 SER HA H 12 4.483 4.483 4.611 -0.128 25782 308 1 5 . 1 1 12 12 SER CA C 12 55.522 55.522 57.326 -1.804 25782 309 1 5 . 1 1 12 12 SER CB C 12 61.278 61.278 65.344 -4.066 25782 310 1 5 . 1 1 12 12 SER H H 12 7.700 7.700 8.140 -0.440 25782 311 1 5 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.991 -2.705 25782 312 1 5 . 1 1 13 13 GLY H H 13 8.790 8.790 8.569 0.221 25782 313 1 5 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.453 -0.152 25782 314 1 5 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.210 -1.704 25782 315 1 5 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.653 -2.280 25782 316 1 5 . 1 1 14 14 GLN H H 14 8.160 8.160 8.211 -0.051 25782 317 1 5 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.040 0.357 25782 318 1 5 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.247 -2.743 25782 319 1 5 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.954 -2.919 25782 320 1 5 . 1 1 15 15 PHE H H 15 8.170 8.170 7.527 0.643 25782 321 1 5 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.372 -0.780 25782 322 1 5 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.711 -3.550 25782 323 1 5 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.459 -2.417 25782 324 1 5 . 1 1 16 16 ARG H H 16 8.904 8.904 8.842 0.062 25782 325 1 5 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.612 -0.281 25782 326 1 5 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.724 -5.207 25782 327 1 5 . 1 1 17 17 ASP H H 17 8.505 8.505 8.708 -0.203 25782 328 1 5 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.132 -0.243 25782 329 1 5 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.486 -3.240 25782 330 1 5 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.178 -2.675 25782 331 1 5 . 1 1 18 18 GLN H H 18 8.606 8.606 8.393 0.213 25782 332 1 5 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.153 0.120 25782 333 1 5 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.424 -3.057 25782 334 1 5 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.905 -2.265 25782 335 1 5 . 1 1 19 19 LEU H H 19 8.305 8.305 8.091 0.214 25782 336 1 6 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.553 0.101 25782 337 1 6 . 1 1 2 2 LEU CB C 2 38.069 38.069 43.033 -4.964 25782 338 1 6 . 1 1 2 2 LEU H H 2 8.218 8.218 8.498 -0.280 25782 339 1 6 . 1 1 3 3 THR HA H 3 4.427 4.427 4.162 0.265 25782 340 1 6 . 1 1 3 3 THR CA C 3 58.900 58.900 62.341 -3.441 25782 341 1 6 . 1 1 3 3 THR CB C 3 69.080 69.080 69.501 -0.421 25782 342 1 6 . 1 1 3 3 THR H H 3 7.153 7.153 7.949 -0.796 25782 343 1 6 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.033 0.768 25782 344 1 6 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.549 -2.646 25782 345 1 6 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.903 -2.866 25782 346 1 6 . 1 1 4 4 GLN H H 4 8.138 8.138 8.306 -0.168 25782 347 1 6 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.239 -0.142 25782 348 1 6 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.907 -3.018 25782 349 1 6 . 1 1 5 5 ILE H H 5 7.613 7.613 7.629 -0.016 25782 350 1 6 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.646 -0.373 25782 351 1 6 . 1 1 6 6 GLN CA C 6 55.567 55.567 55.747 -0.180 25782 352 1 6 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.526 -2.716 25782 353 1 6 . 1 1 6 6 GLN H H 6 8.982 8.982 8.762 0.220 25782 354 1 6 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.411 -0.358 25782 355 1 6 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.805 -2.179 25782 356 1 6 . 1 1 7 7 ALA CB C 7 17.129 17.129 20.787 -3.658 25782 357 1 6 . 1 1 7 7 ALA H H 7 8.226 8.226 8.242 -0.016 25782 358 1 6 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.533 -0.546 25782 359 1 6 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.019 -0.837 25782 360 1 6 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.908 -2.436 25782 361 1 6 . 1 1 8 8 LEU H H 8 7.617 7.617 8.279 -0.662 25782 362 1 6 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.670 -0.306 25782 363 1 6 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.845 -3.428 25782 364 1 6 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.690 -1.658 25782 365 1 6 . 1 1 9 9 ASP H H 9 7.375 7.375 7.877 -0.502 25782 366 1 6 . 1 1 10 10 SER HA H 10 4.224 4.224 4.246 -0.022 25782 367 1 6 . 1 1 10 10 SER CA C 10 57.758 57.758 61.112 -3.354 25782 368 1 6 . 1 1 10 10 SER CB C 10 58.172 58.172 63.708 -5.536 25782 369 1 6 . 1 1 10 10 SER H H 10 9.635 9.635 9.207 0.428 25782 370 1 6 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.073 -0.029 25782 371 1 6 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.666 -1.558 25782 372 1 6 . 1 1 11 11 VAL CB C 11 30.404 30.404 32.905 -2.501 25782 373 1 6 . 1 1 11 11 VAL H H 11 8.955 8.955 7.738 1.217 25782 374 1 6 . 1 1 12 12 SER HA H 12 4.483 4.483 4.569 -0.086 25782 375 1 6 . 1 1 12 12 SER CA C 12 55.522 55.522 58.355 -2.833 25782 376 1 6 . 1 1 12 12 SER CB C 12 61.278 61.278 64.100 -2.822 25782 377 1 6 . 1 1 12 12 SER H H 12 7.700 7.700 7.843 -0.143 25782 378 1 6 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.693 -2.406 25782 379 1 6 . 1 1 13 13 GLY H H 13 8.790 8.790 8.328 0.462 25782 380 1 6 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.387 -0.086 25782 381 1 6 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.632 -2.126 25782 382 1 6 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.296 -2.923 25782 383 1 6 . 1 1 14 14 GLN H H 14 8.160 8.160 8.413 -0.253 25782 384 1 6 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.269 0.128 25782 385 1 6 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.008 -2.503 25782 386 1 6 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.965 -3.930 25782 387 1 6 . 1 1 15 15 PHE H H 15 8.170 8.170 7.358 0.812 25782 388 1 6 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.397 -0.805 25782 389 1 6 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.924 -2.763 25782 390 1 6 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.697 -2.655 25782 391 1 6 . 1 1 16 16 ARG H H 16 8.904 8.904 9.044 -0.140 25782 392 1 6 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.595 -0.264 25782 393 1 6 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.050 -4.533 25782 394 1 6 . 1 1 17 17 ASP H H 17 8.505 8.505 8.643 -0.138 25782 395 1 6 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.083 -0.194 25782 396 1 6 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.240 -2.994 25782 397 1 6 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.188 -2.685 25782 398 1 6 . 1 1 18 18 GLN H H 18 8.606 8.606 8.560 0.046 25782 399 1 6 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.103 0.170 25782 400 1 6 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.643 -3.276 25782 401 1 6 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.856 -2.216 25782 402 1 6 . 1 1 19 19 LEU H H 19 8.305 8.305 7.912 0.393 25782 403 1 7 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.822 -0.168 25782 404 1 7 . 1 1 2 2 LEU CB C 2 38.069 38.069 39.635 -1.566 25782 405 1 7 . 1 1 2 2 LEU H H 2 8.218 8.218 8.579 -0.361 25782 406 1 7 . 1 1 3 3 THR HA H 3 4.427 4.427 4.527 -0.100 25782 407 1 7 . 1 1 3 3 THR CA C 3 58.900 58.900 60.309 -1.409 25782 408 1 7 . 1 1 3 3 THR CB C 3 69.080 69.080 70.669 -1.589 25782 409 1 7 . 1 1 3 3 THR H H 3 7.153 7.153 7.615 -0.462 25782 410 1 7 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.631 1.170 25782 411 1 7 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.507 -2.604 25782 412 1 7 . 1 1 4 4 GLN CB C 4 26.037 26.037 30.180 -4.143 25782 413 1 7 . 1 1 4 4 GLN H H 4 8.138 8.138 8.196 -0.058 25782 414 1 7 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.097 0.000 25782 415 1 7 . 1 1 5 5 ILE CB C 5 36.889 36.889 38.999 -2.110 25782 416 1 7 . 1 1 5 5 ILE H H 5 7.613 7.613 7.735 -0.122 25782 417 1 7 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.592 -0.319 25782 418 1 7 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.795 -1.228 25782 419 1 7 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.261 -1.451 25782 420 1 7 . 1 1 6 6 GLN H H 6 8.982 8.982 8.850 0.132 25782 421 1 7 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.587 -0.534 25782 422 1 7 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.626 -2.000 25782 423 1 7 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.000 -3.872 25782 424 1 7 . 1 1 7 7 ALA H H 7 8.226 8.226 8.335 -0.109 25782 425 1 7 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.513 -0.526 25782 426 1 7 . 1 1 8 8 LEU CA C 8 53.182 53.182 53.725 -0.543 25782 427 1 7 . 1 1 8 8 LEU CB C 8 39.472 39.472 43.953 -4.481 25782 428 1 7 . 1 1 8 8 LEU H H 8 7.617 7.617 8.236 -0.619 25782 429 1 7 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.816 -0.452 25782 430 1 7 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.194 -2.777 25782 431 1 7 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.702 -1.670 25782 432 1 7 . 1 1 9 9 ASP H H 9 7.375 7.375 7.869 -0.494 25782 433 1 7 . 1 1 10 10 SER HA H 10 4.224 4.224 4.276 -0.052 25782 434 1 7 . 1 1 10 10 SER CA C 10 57.758 57.758 60.901 -3.143 25782 435 1 7 . 1 1 10 10 SER CB C 10 58.172 58.172 63.659 -5.487 25782 436 1 7 . 1 1 10 10 SER H H 10 9.635 9.635 9.183 0.452 25782 437 1 7 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.191 -0.147 25782 438 1 7 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.876 -0.768 25782 439 1 7 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.252 -2.848 25782 440 1 7 . 1 1 11 11 VAL H H 11 8.955 8.955 8.048 0.907 25782 441 1 7 . 1 1 12 12 SER HA H 12 4.483 4.483 4.543 -0.060 25782 442 1 7 . 1 1 12 12 SER CA C 12 55.522 55.522 57.925 -2.402 25782 443 1 7 . 1 1 12 12 SER CB C 12 61.278 61.278 64.901 -3.623 25782 444 1 7 . 1 1 12 12 SER H H 12 7.700 7.700 8.007 -0.307 25782 445 1 7 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.543 -2.257 25782 446 1 7 . 1 1 13 13 GLY H H 13 8.790 8.790 8.373 0.417 25782 447 1 7 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.512 -0.211 25782 448 1 7 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.721 -2.215 25782 449 1 7 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.847 -2.474 25782 450 1 7 . 1 1 14 14 GLN H H 14 8.160 8.160 8.174 -0.014 25782 451 1 7 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.367 0.030 25782 452 1 7 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.701 -2.197 25782 453 1 7 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.727 -3.692 25782 454 1 7 . 1 1 15 15 PHE H H 15 8.170 8.170 7.368 0.802 25782 455 1 7 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.486 -0.894 25782 456 1 7 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.709 -2.549 25782 457 1 7 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.832 -2.790 25782 458 1 7 . 1 1 16 16 ARG H H 16 8.904 8.904 9.065 -0.161 25782 459 1 7 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.584 -0.253 25782 460 1 7 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.444 -4.926 25782 461 1 7 . 1 1 17 17 ASP H H 17 8.505 8.505 8.836 -0.331 25782 462 1 7 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.018 -0.129 25782 463 1 7 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.586 -4.340 25782 464 1 7 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.724 -2.220 25782 465 1 7 . 1 1 18 18 GLN H H 18 8.606 8.606 8.815 -0.209 25782 466 1 7 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.294 -0.021 25782 467 1 7 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.278 -2.911 25782 468 1 7 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.945 -2.305 25782 469 1 7 . 1 1 19 19 LEU H H 19 8.305 8.305 8.073 0.232 25782 470 1 8 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.610 0.044 25782 471 1 8 . 1 1 2 2 LEU CB C 2 38.069 38.069 40.873 -2.804 25782 472 1 8 . 1 1 2 2 LEU H H 2 8.218 8.218 8.639 -0.421 25782 473 1 8 . 1 1 3 3 THR HA H 3 4.427 4.427 4.486 -0.059 25782 474 1 8 . 1 1 3 3 THR CA C 3 58.900 58.900 60.778 -1.878 25782 475 1 8 . 1 1 3 3 THR CB C 3 69.080 69.080 70.898 -1.818 25782 476 1 8 . 1 1 3 3 THR H H 3 7.153 7.153 7.854 -0.701 25782 477 1 8 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.021 0.780 25782 478 1 8 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.457 -2.554 25782 479 1 8 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.446 -3.409 25782 480 1 8 . 1 1 4 4 GLN H H 4 8.138 8.138 8.289 -0.151 25782 481 1 8 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.377 -0.280 25782 482 1 8 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.187 -4.298 25782 483 1 8 . 1 1 5 5 ILE H H 5 7.613 7.613 7.218 0.395 25782 484 1 8 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.744 -0.471 25782 485 1 8 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.598 -1.031 25782 486 1 8 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.507 -2.697 25782 487 1 8 . 1 1 6 6 GLN H H 6 8.982 8.982 8.745 0.237 25782 488 1 8 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.516 -0.463 25782 489 1 8 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.484 -1.858 25782 490 1 8 . 1 1 7 7 ALA CB C 7 17.129 17.129 22.135 -5.006 25782 491 1 8 . 1 1 7 7 ALA H H 7 8.226 8.226 8.262 -0.036 25782 492 1 8 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.832 -0.845 25782 493 1 8 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.089 -0.907 25782 494 1 8 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.290 -2.818 25782 495 1 8 . 1 1 8 8 LEU H H 8 7.617 7.617 8.283 -0.666 25782 496 1 8 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.624 -0.260 25782 497 1 8 . 1 1 9 9 ASP CA C 9 51.417 51.417 55.015 -3.598 25782 498 1 8 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.843 -1.812 25782 499 1 8 . 1 1 9 9 ASP H H 9 7.375 7.375 8.166 -0.791 25782 500 1 8 . 1 1 10 10 SER HA H 10 4.224 4.224 4.170 0.054 25782 501 1 8 . 1 1 10 10 SER CA C 10 57.758 57.758 61.177 -3.419 25782 502 1 8 . 1 1 10 10 SER CB C 10 58.172 58.172 63.066 -4.894 25782 503 1 8 . 1 1 10 10 SER H H 10 9.635 9.635 8.821 0.814 25782 504 1 8 . 1 1 11 11 VAL HA H 11 4.044 4.044 3.987 0.057 25782 505 1 8 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.412 -1.304 25782 506 1 8 . 1 1 11 11 VAL CB C 11 30.404 30.404 32.365 -1.961 25782 507 1 8 . 1 1 11 11 VAL H H 11 8.955 8.955 8.220 0.735 25782 508 1 8 . 1 1 12 12 SER HA H 12 4.483 4.483 4.486 -0.003 25782 509 1 8 . 1 1 12 12 SER CA C 12 55.522 55.522 57.889 -2.367 25782 510 1 8 . 1 1 12 12 SER CB C 12 61.278 61.278 64.399 -3.121 25782 511 1 8 . 1 1 12 12 SER H H 12 7.700 7.700 7.878 -0.178 25782 512 1 8 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.596 -2.310 25782 513 1 8 . 1 1 13 13 GLY H H 13 8.790 8.790 8.095 0.695 25782 514 1 8 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.246 0.055 25782 515 1 8 . 1 1 14 14 GLN CA C 14 52.506 52.506 56.084 -3.578 25782 516 1 8 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.845 -2.471 25782 517 1 8 . 1 1 14 14 GLN H H 14 8.160 8.160 8.335 -0.175 25782 518 1 8 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.435 -0.038 25782 519 1 8 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.712 -2.208 25782 520 1 8 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.559 -3.523 25782 521 1 8 . 1 1 15 15 PHE H H 15 8.170 8.170 7.355 0.815 25782 522 1 8 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.414 -0.822 25782 523 1 8 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.585 -2.424 25782 524 1 8 . 1 1 16 16 ARG CB C 16 29.042 29.042 32.274 -3.232 25782 525 1 8 . 1 1 16 16 ARG H H 16 8.904 8.904 8.944 -0.040 25782 526 1 8 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.645 -0.314 25782 527 1 8 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.526 -5.009 25782 528 1 8 . 1 1 17 17 ASP H H 17 8.505 8.505 8.791 -0.286 25782 529 1 8 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.115 -0.226 25782 530 1 8 . 1 1 18 18 GLN CA C 18 54.246 54.246 58.247 -4.001 25782 531 1 8 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.078 -2.575 25782 532 1 8 . 1 1 18 18 GLN H H 18 8.606 8.606 8.621 -0.015 25782 533 1 8 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.453 -0.180 25782 534 1 8 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.616 -3.249 25782 535 1 8 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.896 -2.256 25782 536 1 8 . 1 1 19 19 LEU H H 19 8.305 8.305 7.738 0.567 25782 537 1 9 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.456 0.198 25782 538 1 9 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.797 -4.728 25782 539 1 9 . 1 1 2 2 LEU H H 2 8.218 8.218 8.512 -0.294 25782 540 1 9 . 1 1 3 3 THR HA H 3 4.427 4.427 4.237 0.190 25782 541 1 9 . 1 1 3 3 THR CA C 3 58.900 58.900 61.379 -2.479 25782 542 1 9 . 1 1 3 3 THR CB C 3 69.080 69.080 69.985 -0.905 25782 543 1 9 . 1 1 3 3 THR H H 3 7.153 7.153 7.782 -0.629 25782 544 1 9 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.548 0.253 25782 545 1 9 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.408 -2.505 25782 546 1 9 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.787 -2.750 25782 547 1 9 . 1 1 4 4 GLN H H 4 8.138 8.138 8.360 -0.222 25782 548 1 9 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.346 -0.249 25782 549 1 9 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.908 -4.019 25782 550 1 9 . 1 1 5 5 ILE H H 5 7.613 7.613 7.348 0.265 25782 551 1 9 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.680 -0.407 25782 552 1 9 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.679 -1.112 25782 553 1 9 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.520 -2.710 25782 554 1 9 . 1 1 6 6 GLN H H 6 8.982 8.982 8.806 0.176 25782 555 1 9 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.483 -0.430 25782 556 1 9 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.238 -1.612 25782 557 1 9 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.303 -4.174 25782 558 1 9 . 1 1 7 7 ALA H H 7 8.226 8.226 8.021 0.205 25782 559 1 9 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.200 -0.213 25782 560 1 9 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.947 -1.765 25782 561 1 9 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.790 -2.318 25782 562 1 9 . 1 1 8 8 LEU H H 8 7.617 7.617 8.293 -0.676 25782 563 1 9 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.728 -0.364 25782 564 1 9 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.505 -3.088 25782 565 1 9 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.101 -1.069 25782 566 1 9 . 1 1 9 9 ASP H H 9 7.375 7.375 8.319 -0.944 25782 567 1 9 . 1 1 10 10 SER HA H 10 4.224 4.224 4.241 -0.017 25782 568 1 9 . 1 1 10 10 SER CA C 10 57.758 57.758 60.675 -2.917 25782 569 1 9 . 1 1 10 10 SER CB C 10 58.172 58.172 63.778 -5.606 25782 570 1 9 . 1 1 10 10 SER H H 10 9.635 9.635 9.221 0.414 25782 571 1 9 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.184 -0.140 25782 572 1 9 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.864 -0.756 25782 573 1 9 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.839 -3.435 25782 574 1 9 . 1 1 11 11 VAL H H 11 8.955 8.955 8.367 0.588 25782 575 1 9 . 1 1 12 12 SER HA H 12 4.483 4.483 4.592 -0.109 25782 576 1 9 . 1 1 12 12 SER CA C 12 55.522 55.522 57.727 -2.205 25782 577 1 9 . 1 1 12 12 SER CB C 12 61.278 61.278 65.021 -3.743 25782 578 1 9 . 1 1 12 12 SER H H 12 7.700 7.700 8.128 -0.428 25782 579 1 9 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.788 -2.502 25782 580 1 9 . 1 1 13 13 GLY H H 13 8.790 8.790 8.381 0.409 25782 581 1 9 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.370 -0.069 25782 582 1 9 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.737 -2.231 25782 583 1 9 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.151 -2.777 25782 584 1 9 . 1 1 14 14 GLN H H 14 8.160 8.160 8.163 -0.003 25782 585 1 9 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.315 0.082 25782 586 1 9 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.356 -2.852 25782 587 1 9 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.122 -3.087 25782 588 1 9 . 1 1 15 15 PHE H H 15 8.170 8.170 7.475 0.695 25782 589 1 9 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.373 -0.781 25782 590 1 9 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.626 -2.465 25782 591 1 9 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.982 -2.940 25782 592 1 9 . 1 1 16 16 ARG H H 16 8.904 8.904 8.914 -0.010 25782 593 1 9 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.687 -0.356 25782 594 1 9 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.576 -5.059 25782 595 1 9 . 1 1 17 17 ASP H H 17 8.505 8.505 8.814 -0.309 25782 596 1 9 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.088 -0.199 25782 597 1 9 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.526 -3.280 25782 598 1 9 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.933 -2.429 25782 599 1 9 . 1 1 18 18 GLN H H 18 8.606 8.606 8.659 -0.053 25782 600 1 9 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.126 0.147 25782 601 1 9 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.818 -2.451 25782 602 1 9 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.339 -1.699 25782 603 1 9 . 1 1 19 19 LEU H H 19 8.305 8.305 7.899 0.406 25782 604 1 10 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.317 0.337 25782 605 1 10 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.388 -4.319 25782 606 1 10 . 1 1 2 2 LEU H H 2 8.218 8.218 8.660 -0.442 25782 607 1 10 . 1 1 3 3 THR HA H 3 4.427 4.427 4.088 0.339 25782 608 1 10 . 1 1 3 3 THR CA C 3 58.900 58.900 62.832 -3.932 25782 609 1 10 . 1 1 3 3 THR CB C 3 69.080 69.080 69.286 -0.206 25782 610 1 10 . 1 1 3 3 THR H H 3 7.153 7.153 7.999 -0.846 25782 611 1 10 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.565 0.236 25782 612 1 10 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.322 -2.419 25782 613 1 10 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.032 -2.995 25782 614 1 10 . 1 1 4 4 GLN H H 4 8.138 8.138 8.378 -0.240 25782 615 1 10 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.105 -0.008 25782 616 1 10 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.757 -2.868 25782 617 1 10 . 1 1 5 5 ILE H H 5 7.613 7.613 7.681 -0.068 25782 618 1 10 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.857 -0.584 25782 619 1 10 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.246 -0.679 25782 620 1 10 . 1 1 6 6 GLN CB C 6 25.810 25.810 29.037 -3.227 25782 621 1 10 . 1 1 6 6 GLN H H 6 8.982 8.982 8.589 0.393 25782 622 1 10 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.427 -0.374 25782 623 1 10 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.733 -2.107 25782 624 1 10 . 1 1 7 7 ALA CB C 7 17.129 17.129 20.478 -3.349 25782 625 1 10 . 1 1 7 7 ALA H H 7 8.226 8.226 8.162 0.064 25782 626 1 10 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.499 -0.512 25782 627 1 10 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.553 -1.371 25782 628 1 10 . 1 1 8 8 LEU CB C 8 39.472 39.472 43.678 -4.205 25782 629 1 10 . 1 1 8 8 LEU H H 8 7.617 7.617 8.179 -0.562 25782 630 1 10 . 1 1 9 9 ASP HA H 9 4.364 4.364 5.050 -0.686 25782 631 1 10 . 1 1 9 9 ASP CA C 9 51.417 51.417 53.594 -2.177 25782 632 1 10 . 1 1 9 9 ASP CB C 9 41.032 41.032 43.303 -2.271 25782 633 1 10 . 1 1 9 9 ASP H H 9 7.375 7.375 7.877 -0.502 25782 634 1 10 . 1 1 10 10 SER HA H 10 4.224 4.224 4.250 -0.026 25782 635 1 10 . 1 1 10 10 SER CA C 10 57.758 57.758 61.031 -3.273 25782 636 1 10 . 1 1 10 10 SER CB C 10 58.172 58.172 63.389 -5.217 25782 637 1 10 . 1 1 10 10 SER H H 10 9.635 9.635 9.073 0.562 25782 638 1 10 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.106 -0.062 25782 639 1 10 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.304 -1.196 25782 640 1 10 . 1 1 11 11 VAL CB C 11 30.404 30.404 32.859 -2.455 25782 641 1 10 . 1 1 11 11 VAL H H 11 8.955 8.955 8.099 0.856 25782 642 1 10 . 1 1 12 12 SER HA H 12 4.483 4.483 4.550 -0.067 25782 643 1 10 . 1 1 12 12 SER CA C 12 55.522 55.522 57.784 -2.262 25782 644 1 10 . 1 1 12 12 SER CB C 12 61.278 61.278 64.915 -3.637 25782 645 1 10 . 1 1 12 12 SER H H 12 7.700 7.700 8.011 -0.311 25782 646 1 10 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.626 -2.340 25782 647 1 10 . 1 1 13 13 GLY H H 13 8.790 8.790 8.306 0.484 25782 648 1 10 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.368 -0.067 25782 649 1 10 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.680 -2.174 25782 650 1 10 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.861 -2.488 25782 651 1 10 . 1 1 14 14 GLN H H 14 8.160 8.160 7.984 0.176 25782 652 1 10 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.323 0.074 25782 653 1 10 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.794 -2.290 25782 654 1 10 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.776 -3.741 25782 655 1 10 . 1 1 15 15 PHE H H 15 8.170 8.170 7.440 0.730 25782 656 1 10 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.440 -0.848 25782 657 1 10 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.885 -2.724 25782 658 1 10 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.709 -2.667 25782 659 1 10 . 1 1 16 16 ARG H H 16 8.904 8.904 9.121 -0.217 25782 660 1 10 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.672 -0.341 25782 661 1 10 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.611 -5.094 25782 662 1 10 . 1 1 17 17 ASP H H 17 8.505 8.505 8.659 -0.154 25782 663 1 10 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.074 -0.185 25782 664 1 10 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.673 -3.427 25782 665 1 10 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.833 -2.330 25782 666 1 10 . 1 1 18 18 GLN H H 18 8.606 8.606 8.537 0.069 25782 667 1 10 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.265 0.008 25782 668 1 10 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.228 -2.861 25782 669 1 10 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.598 -1.958 25782 670 1 10 . 1 1 19 19 LEU H H 19 8.305 8.305 7.865 0.440 25782 671 1 11 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.417 0.237 25782 672 1 11 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.898 -4.829 25782 673 1 11 . 1 1 2 2 LEU H H 2 8.218 8.218 8.545 -0.327 25782 674 1 11 . 1 1 3 3 THR HA H 3 4.427 4.427 4.254 0.173 25782 675 1 11 . 1 1 3 3 THR CA C 3 58.900 58.900 61.404 -2.504 25782 676 1 11 . 1 1 3 3 THR CB C 3 69.080 69.080 70.025 -0.945 25782 677 1 11 . 1 1 3 3 THR H H 3 7.153 7.153 7.666 -0.513 25782 678 1 11 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.879 -0.078 25782 679 1 11 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.525 -2.622 25782 680 1 11 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.548 -3.511 25782 681 1 11 . 1 1 4 4 GLN H H 4 8.138 8.138 8.306 -0.168 25782 682 1 11 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.135 -0.038 25782 683 1 11 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.548 -3.659 25782 684 1 11 . 1 1 5 5 ILE H H 5 7.613 7.613 7.202 0.411 25782 685 1 11 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.591 -0.318 25782 686 1 11 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.236 -1.669 25782 687 1 11 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.823 -2.013 25782 688 1 11 . 1 1 6 6 GLN H H 6 8.982 8.982 8.780 0.202 25782 689 1 11 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.539 -0.486 25782 690 1 11 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.209 -1.583 25782 691 1 11 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.770 -4.641 25782 692 1 11 . 1 1 7 7 ALA H H 7 8.226 8.226 8.247 -0.021 25782 693 1 11 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.366 -0.379 25782 694 1 11 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.752 -1.570 25782 695 1 11 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.687 -2.215 25782 696 1 11 . 1 1 8 8 LEU H H 8 7.617 7.617 8.266 -0.649 25782 697 1 11 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.629 -0.265 25782 698 1 11 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.669 -3.252 25782 699 1 11 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.161 -1.129 25782 700 1 11 . 1 1 9 9 ASP H H 9 7.375 7.375 8.396 -1.021 25782 701 1 11 . 1 1 10 10 SER HA H 10 4.224 4.224 4.170 0.054 25782 702 1 11 . 1 1 10 10 SER CA C 10 57.758 57.758 61.188 -3.430 25782 703 1 11 . 1 1 10 10 SER CB C 10 58.172 58.172 63.675 -5.503 25782 704 1 11 . 1 1 10 10 SER H H 10 9.635 9.635 8.941 0.694 25782 705 1 11 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.082 -0.038 25782 706 1 11 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.235 -1.127 25782 707 1 11 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.170 -2.766 25782 708 1 11 . 1 1 11 11 VAL H H 11 8.955 8.955 8.322 0.633 25782 709 1 11 . 1 1 12 12 SER HA H 12 4.483 4.483 4.567 -0.084 25782 710 1 11 . 1 1 12 12 SER CA C 12 55.522 55.522 57.792 -2.270 25782 711 1 11 . 1 1 12 12 SER CB C 12 61.278 61.278 64.948 -3.670 25782 712 1 11 . 1 1 12 12 SER H H 12 7.700 7.700 7.976 -0.276 25782 713 1 11 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.816 -2.530 25782 714 1 11 . 1 1 13 13 GLY H H 13 8.790 8.790 8.499 0.291 25782 715 1 11 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.338 -0.037 25782 716 1 11 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.674 -2.168 25782 717 1 11 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.583 -3.210 25782 718 1 11 . 1 1 14 14 GLN H H 14 8.160 8.160 8.378 -0.218 25782 719 1 11 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.251 0.146 25782 720 1 11 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.782 -2.277 25782 721 1 11 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.360 -3.325 25782 722 1 11 . 1 1 15 15 PHE H H 15 8.170 8.170 7.524 0.646 25782 723 1 11 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.305 -0.713 25782 724 1 11 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.255 -3.094 25782 725 1 11 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.750 -2.708 25782 726 1 11 . 1 1 16 16 ARG H H 16 8.904 8.904 8.865 0.039 25782 727 1 11 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.657 -0.326 25782 728 1 11 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.374 -4.857 25782 729 1 11 . 1 1 17 17 ASP H H 17 8.505 8.505 8.735 -0.230 25782 730 1 11 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.169 -0.280 25782 731 1 11 . 1 1 18 18 GLN CA C 18 54.246 54.246 56.348 -2.102 25782 732 1 11 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.102 -2.599 25782 733 1 11 . 1 1 18 18 GLN H H 18 8.606 8.606 8.709 -0.103 25782 734 1 11 . 1 1 19 19 LEU HA H 19 4.273 4.273 3.942 0.331 25782 735 1 11 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.344 -2.977 25782 736 1 11 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.944 -2.304 25782 737 1 11 . 1 1 19 19 LEU H H 19 8.305 8.305 7.753 0.552 25782 738 1 12 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.606 0.048 25782 739 1 12 . 1 1 2 2 LEU CB C 2 38.069 38.069 40.835 -2.766 25782 740 1 12 . 1 1 2 2 LEU H H 2 8.218 8.218 8.500 -0.282 25782 741 1 12 . 1 1 3 3 THR HA H 3 4.427 4.427 4.214 0.213 25782 742 1 12 . 1 1 3 3 THR CA C 3 58.900 58.900 61.500 -2.600 25782 743 1 12 . 1 1 3 3 THR CB C 3 69.080 69.080 69.571 -0.491 25782 744 1 12 . 1 1 3 3 THR H H 3 7.153 7.153 7.659 -0.506 25782 745 1 12 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.272 0.529 25782 746 1 12 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.620 -2.717 25782 747 1 12 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.544 -2.507 25782 748 1 12 . 1 1 4 4 GLN H H 4 8.138 8.138 8.399 -0.261 25782 749 1 12 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.260 -0.163 25782 750 1 12 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.903 -5.014 25782 751 1 12 . 1 1 5 5 ILE H H 5 7.613 7.613 7.268 0.345 25782 752 1 12 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.977 -0.704 25782 753 1 12 . 1 1 6 6 GLN CA C 6 55.567 55.567 54.439 1.128 25782 754 1 12 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.182 -2.372 25782 755 1 12 . 1 1 6 6 GLN H H 6 8.982 8.982 8.573 0.409 25782 756 1 12 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.515 -0.462 25782 757 1 12 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.207 -1.581 25782 758 1 12 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.587 -4.458 25782 759 1 12 . 1 1 7 7 ALA H H 7 8.226 8.226 8.402 -0.176 25782 760 1 12 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.232 -0.245 25782 761 1 12 . 1 1 8 8 LEU CA C 8 53.182 53.182 55.017 -1.835 25782 762 1 12 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.721 -2.249 25782 763 1 12 . 1 1 8 8 LEU H H 8 7.617 7.617 8.309 -0.692 25782 764 1 12 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.573 -0.209 25782 765 1 12 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.533 -3.116 25782 766 1 12 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.923 -1.891 25782 767 1 12 . 1 1 9 9 ASP H H 9 7.375 7.375 7.875 -0.500 25782 768 1 12 . 1 1 10 10 SER HA H 10 4.224 4.224 4.295 -0.071 25782 769 1 12 . 1 1 10 10 SER CA C 10 57.758 57.758 60.599 -2.841 25782 770 1 12 . 1 1 10 10 SER CB C 10 58.172 58.172 63.613 -5.441 25782 771 1 12 . 1 1 10 10 SER H H 10 9.635 9.635 8.950 0.685 25782 772 1 12 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.150 -0.106 25782 773 1 12 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.551 -1.443 25782 774 1 12 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.165 -2.761 25782 775 1 12 . 1 1 11 11 VAL H H 11 8.955 8.955 8.589 0.366 25782 776 1 12 . 1 1 12 12 SER HA H 12 4.483 4.483 4.614 -0.131 25782 777 1 12 . 1 1 12 12 SER CA C 12 55.522 55.522 58.179 -2.657 25782 778 1 12 . 1 1 12 12 SER CB C 12 61.278 61.278 64.872 -3.594 25782 779 1 12 . 1 1 12 12 SER H H 12 7.700 7.700 7.977 -0.277 25782 780 1 12 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.684 -2.398 25782 781 1 12 . 1 1 13 13 GLY H H 13 8.790 8.790 8.332 0.458 25782 782 1 12 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.484 -0.183 25782 783 1 12 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.162 -2.656 25782 784 1 12 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.720 -3.347 25782 785 1 12 . 1 1 14 14 GLN H H 14 8.160 8.160 8.320 -0.160 25782 786 1 12 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.170 0.227 25782 787 1 12 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.985 -2.481 25782 788 1 12 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.088 -2.053 25782 789 1 12 . 1 1 15 15 PHE H H 15 8.170 8.170 7.567 0.603 25782 790 1 12 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.242 -0.650 25782 791 1 12 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.267 -3.106 25782 792 1 12 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.573 -2.531 25782 793 1 12 . 1 1 16 16 ARG H H 16 8.904 8.904 8.871 0.033 25782 794 1 12 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.558 -0.227 25782 795 1 12 . 1 1 17 17 ASP CB C 17 36.517 36.517 40.823 -4.306 25782 796 1 12 . 1 1 17 17 ASP H H 17 8.505 8.505 8.791 -0.286 25782 797 1 12 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.178 -0.289 25782 798 1 12 . 1 1 18 18 GLN CA C 18 54.246 54.246 56.567 -2.321 25782 799 1 12 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.097 -2.594 25782 800 1 12 . 1 1 18 18 GLN H H 18 8.606 8.606 8.483 0.123 25782 801 1 12 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.262 0.011 25782 802 1 12 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.584 -3.217 25782 803 1 12 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.371 -2.731 25782 804 1 12 . 1 1 19 19 LEU H H 19 8.305 8.305 7.467 0.838 25782 805 1 13 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.635 0.019 25782 806 1 13 . 1 1 2 2 LEU CB C 2 38.069 38.069 39.603 -1.534 25782 807 1 13 . 1 1 2 2 LEU H H 2 8.218 8.218 8.558 -0.340 25782 808 1 13 . 1 1 3 3 THR HA H 3 4.427 4.427 4.574 -0.147 25782 809 1 13 . 1 1 3 3 THR CA C 3 58.900 58.900 60.044 -1.144 25782 810 1 13 . 1 1 3 3 THR CB C 3 69.080 69.080 70.934 -1.854 25782 811 1 13 . 1 1 3 3 THR H H 3 7.153 7.153 7.786 -0.633 25782 812 1 13 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.827 0.974 25782 813 1 13 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.342 -2.439 25782 814 1 13 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.112 -3.075 25782 815 1 13 . 1 1 4 4 GLN H H 4 8.138 8.138 8.283 -0.145 25782 816 1 13 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.230 -0.133 25782 817 1 13 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.106 -4.217 25782 818 1 13 . 1 1 5 5 ILE H H 5 7.613 7.613 7.000 0.613 25782 819 1 13 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.798 -0.525 25782 820 1 13 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.661 -1.094 25782 821 1 13 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.372 -2.562 25782 822 1 13 . 1 1 6 6 GLN H H 6 8.982 8.982 8.799 0.183 25782 823 1 13 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.638 -0.585 25782 824 1 13 . 1 1 7 7 ALA CA C 7 49.626 49.626 50.842 -1.216 25782 825 1 13 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.976 -4.847 25782 826 1 13 . 1 1 7 7 ALA H H 7 8.226 8.226 8.410 -0.184 25782 827 1 13 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.285 -0.298 25782 828 1 13 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.598 -1.416 25782 829 1 13 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.886 -3.414 25782 830 1 13 . 1 1 8 8 LEU H H 8 7.617 7.617 8.341 -0.724 25782 831 1 13 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.650 -0.286 25782 832 1 13 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.511 -3.094 25782 833 1 13 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.727 -1.696 25782 834 1 13 . 1 1 9 9 ASP H H 9 7.375 7.375 8.167 -0.792 25782 835 1 13 . 1 1 10 10 SER HA H 10 4.224 4.224 4.236 -0.012 25782 836 1 13 . 1 1 10 10 SER CA C 10 57.758 57.758 61.071 -3.313 25782 837 1 13 . 1 1 10 10 SER CB C 10 58.172 58.172 63.672 -5.500 25782 838 1 13 . 1 1 10 10 SER H H 10 9.635 9.635 8.960 0.675 25782 839 1 13 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.043 0.001 25782 840 1 13 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.545 -1.437 25782 841 1 13 . 1 1 11 11 VAL CB C 11 30.404 30.404 32.746 -2.342 25782 842 1 13 . 1 1 11 11 VAL H H 11 8.955 8.955 8.246 0.709 25782 843 1 13 . 1 1 12 12 SER HA H 12 4.483 4.483 4.560 -0.077 25782 844 1 13 . 1 1 12 12 SER CA C 12 55.522 55.522 57.691 -2.169 25782 845 1 13 . 1 1 12 12 SER CB C 12 61.278 61.278 64.995 -3.717 25782 846 1 13 . 1 1 12 12 SER H H 12 7.700 7.700 7.993 -0.293 25782 847 1 13 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.891 -2.605 25782 848 1 13 . 1 1 13 13 GLY H H 13 8.790 8.790 8.386 0.404 25782 849 1 13 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.574 -0.273 25782 850 1 13 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.885 -2.379 25782 851 1 13 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.110 -2.736 25782 852 1 13 . 1 1 14 14 GLN H H 14 8.160 8.160 8.144 0.016 25782 853 1 13 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.169 0.228 25782 854 1 13 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.040 -2.536 25782 855 1 13 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.849 -2.814 25782 856 1 13 . 1 1 15 15 PHE H H 15 8.170 8.170 7.788 0.382 25782 857 1 13 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.218 -0.626 25782 858 1 13 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.581 -3.420 25782 859 1 13 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.501 -2.459 25782 860 1 13 . 1 1 16 16 ARG H H 16 8.904 8.904 8.965 -0.061 25782 861 1 13 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.609 -0.278 25782 862 1 13 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.357 -4.840 25782 863 1 13 . 1 1 17 17 ASP H H 17 8.505 8.505 8.747 -0.242 25782 864 1 13 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.101 -0.212 25782 865 1 13 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.335 -3.089 25782 866 1 13 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.065 -2.562 25782 867 1 13 . 1 1 18 18 GLN H H 18 8.606 8.606 8.486 0.120 25782 868 1 13 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.159 0.114 25782 869 1 13 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.709 -2.342 25782 870 1 13 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.582 -1.942 25782 871 1 13 . 1 1 19 19 LEU H H 19 8.305 8.305 7.772 0.533 25782 872 1 14 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.702 -0.048 25782 873 1 14 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.016 -3.947 25782 874 1 14 . 1 1 2 2 LEU H H 2 8.218 8.218 8.541 -0.323 25782 875 1 14 . 1 1 3 3 THR HA H 3 4.427 4.427 4.305 0.122 25782 876 1 14 . 1 1 3 3 THR CA C 3 58.900 58.900 61.055 -2.155 25782 877 1 14 . 1 1 3 3 THR CB C 3 69.080 69.080 69.769 -0.689 25782 878 1 14 . 1 1 3 3 THR H H 3 7.153 7.153 7.733 -0.580 25782 879 1 14 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.077 0.724 25782 880 1 14 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.379 -2.476 25782 881 1 14 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.184 -3.147 25782 882 1 14 . 1 1 4 4 GLN H H 4 8.138 8.138 8.233 -0.095 25782 883 1 14 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.054 0.043 25782 884 1 14 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.581 -2.692 25782 885 1 14 . 1 1 5 5 ILE H H 5 7.613 7.613 7.131 0.482 25782 886 1 14 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.757 -0.484 25782 887 1 14 . 1 1 6 6 GLN CA C 6 55.567 55.567 57.259 -1.692 25782 888 1 14 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.287 -2.477 25782 889 1 14 . 1 1 6 6 GLN H H 6 8.982 8.982 8.799 0.183 25782 890 1 14 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.575 -0.522 25782 891 1 14 . 1 1 7 7 ALA CA C 7 49.626 49.626 50.940 -1.314 25782 892 1 14 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.732 -4.603 25782 893 1 14 . 1 1 7 7 ALA H H 7 8.226 8.226 8.226 0.000 25782 894 1 14 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.160 -0.173 25782 895 1 14 . 1 1 8 8 LEU CA C 8 53.182 53.182 55.033 -1.851 25782 896 1 14 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.748 -2.276 25782 897 1 14 . 1 1 8 8 LEU H H 8 7.617 7.617 8.411 -0.794 25782 898 1 14 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.620 -0.256 25782 899 1 14 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.716 -3.299 25782 900 1 14 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.379 -1.347 25782 901 1 14 . 1 1 9 9 ASP H H 9 7.375 7.375 8.451 -1.076 25782 902 1 14 . 1 1 10 10 SER HA H 10 4.224 4.224 4.322 -0.098 25782 903 1 14 . 1 1 10 10 SER CA C 10 57.758 57.758 60.983 -3.225 25782 904 1 14 . 1 1 10 10 SER CB C 10 58.172 58.172 63.937 -5.765 25782 905 1 14 . 1 1 10 10 SER H H 10 9.635 9.635 8.975 0.660 25782 906 1 14 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.185 -0.141 25782 907 1 14 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.073 -0.965 25782 908 1 14 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.495 -3.091 25782 909 1 14 . 1 1 11 11 VAL H H 11 8.955 8.955 8.492 0.463 25782 910 1 14 . 1 1 12 12 SER HA H 12 4.483 4.483 4.601 -0.118 25782 911 1 14 . 1 1 12 12 SER CA C 12 55.522 55.522 57.832 -2.310 25782 912 1 14 . 1 1 12 12 SER CB C 12 61.278 61.278 65.427 -4.149 25782 913 1 14 . 1 1 12 12 SER H H 12 7.700 7.700 8.270 -0.570 25782 914 1 14 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.013 -2.727 25782 915 1 14 . 1 1 13 13 GLY H H 13 8.790 8.790 8.280 0.510 25782 916 1 14 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.427 -0.126 25782 917 1 14 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.054 -2.548 25782 918 1 14 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.489 -3.116 25782 919 1 14 . 1 1 14 14 GLN H H 14 8.160 8.160 8.058 0.102 25782 920 1 14 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.492 -0.095 25782 921 1 14 . 1 1 15 15 PHE CA C 15 53.504 53.504 54.923 -1.419 25782 922 1 14 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.281 -2.245 25782 923 1 14 . 1 1 15 15 PHE H H 15 8.170 8.170 7.482 0.688 25782 924 1 14 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.240 -0.648 25782 925 1 14 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.614 -3.453 25782 926 1 14 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.506 -2.464 25782 927 1 14 . 1 1 16 16 ARG H H 16 8.904 8.904 8.439 0.465 25782 928 1 14 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.679 -0.348 25782 929 1 14 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.074 -4.557 25782 930 1 14 . 1 1 17 17 ASP H H 17 8.505 8.505 8.756 -0.251 25782 931 1 14 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.126 -0.237 25782 932 1 14 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.829 -3.583 25782 933 1 14 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.968 -2.465 25782 934 1 14 . 1 1 18 18 GLN H H 18 8.606 8.606 8.684 -0.078 25782 935 1 14 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.125 0.148 25782 936 1 14 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.922 -2.555 25782 937 1 14 . 1 1 19 19 LEU CB C 19 39.640 39.640 39.745 -0.105 25782 938 1 14 . 1 1 19 19 LEU H H 19 8.305 8.305 7.802 0.503 25782 939 1 15 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.584 0.070 25782 940 1 15 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.653 -4.584 25782 941 1 15 . 1 1 2 2 LEU H H 2 8.218 8.218 8.495 -0.277 25782 942 1 15 . 1 1 3 3 THR HA H 3 4.427 4.427 4.204 0.223 25782 943 1 15 . 1 1 3 3 THR CA C 3 58.900 58.900 61.873 -2.973 25782 944 1 15 . 1 1 3 3 THR CB C 3 69.080 69.080 69.825 -0.745 25782 945 1 15 . 1 1 3 3 THR H H 3 7.153 7.153 7.500 -0.347 25782 946 1 15 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.854 0.947 25782 947 1 15 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.216 -2.313 25782 948 1 15 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.113 -3.076 25782 949 1 15 . 1 1 4 4 GLN H H 4 8.138 8.138 8.219 -0.081 25782 950 1 15 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.193 -0.096 25782 951 1 15 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.421 -2.532 25782 952 1 15 . 1 1 5 5 ILE H H 5 7.613 7.613 7.221 0.392 25782 953 1 15 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.580 -0.307 25782 954 1 15 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.296 -0.729 25782 955 1 15 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.551 -1.741 25782 956 1 15 . 1 1 6 6 GLN H H 6 8.982 8.982 8.873 0.109 25782 957 1 15 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.527 -0.474 25782 958 1 15 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.027 -1.401 25782 959 1 15 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.665 -4.536 25782 960 1 15 . 1 1 7 7 ALA H H 7 8.226 8.226 8.174 0.052 25782 961 1 15 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.363 -0.376 25782 962 1 15 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.989 -1.807 25782 963 1 15 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.090 -2.618 25782 964 1 15 . 1 1 8 8 LEU H H 8 7.617 7.617 8.261 -0.644 25782 965 1 15 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.758 -0.394 25782 966 1 15 . 1 1 9 9 ASP CA C 9 51.417 51.417 53.694 -2.276 25782 967 1 15 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.834 -1.802 25782 968 1 15 . 1 1 9 9 ASP H H 9 7.375 7.375 8.566 -1.191 25782 969 1 15 . 1 1 10 10 SER HA H 10 4.224 4.224 4.273 -0.049 25782 970 1 15 . 1 1 10 10 SER CA C 10 57.758 57.758 61.319 -3.561 25782 971 1 15 . 1 1 10 10 SER CB C 10 58.172 58.172 63.830 -5.658 25782 972 1 15 . 1 1 10 10 SER H H 10 9.635 9.635 8.890 0.745 25782 973 1 15 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.215 -0.171 25782 974 1 15 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.689 -0.581 25782 975 1 15 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.400 -2.996 25782 976 1 15 . 1 1 11 11 VAL H H 11 8.955 8.955 8.258 0.697 25782 977 1 15 . 1 1 12 12 SER HA H 12 4.483 4.483 4.685 -0.202 25782 978 1 15 . 1 1 12 12 SER CA C 12 55.522 55.522 57.571 -2.049 25782 979 1 15 . 1 1 12 12 SER CB C 12 61.278 61.278 65.906 -4.628 25782 980 1 15 . 1 1 12 12 SER H H 12 7.700 7.700 8.022 -0.322 25782 981 1 15 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.670 -2.384 25782 982 1 15 . 1 1 13 13 GLY H H 13 8.790 8.790 8.406 0.384 25782 983 1 15 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.363 -0.062 25782 984 1 15 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.572 -2.066 25782 985 1 15 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.801 -2.428 25782 986 1 15 . 1 1 14 14 GLN H H 14 8.160 8.160 7.985 0.175 25782 987 1 15 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.168 0.229 25782 988 1 15 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.165 -2.661 25782 989 1 15 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.338 -3.303 25782 990 1 15 . 1 1 15 15 PHE H H 15 8.170 8.170 7.497 0.673 25782 991 1 15 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.281 -0.689 25782 992 1 15 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.372 -3.211 25782 993 1 15 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.551 -2.509 25782 994 1 15 . 1 1 16 16 ARG H H 16 8.904 8.904 8.831 0.073 25782 995 1 15 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.506 -0.175 25782 996 1 15 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.643 -5.126 25782 997 1 15 . 1 1 17 17 ASP H H 17 8.505 8.505 8.924 -0.419 25782 998 1 15 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.265 -0.376 25782 999 1 15 . 1 1 18 18 GLN CA C 18 54.246 54.246 56.247 -2.001 25782 1000 1 15 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.226 -2.723 25782 1001 1 15 . 1 1 18 18 GLN H H 18 8.606 8.606 8.549 0.057 25782 1002 1 15 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.160 0.113 25782 1003 1 15 . 1 1 19 19 LEU CA C 19 52.367 52.367 56.075 -3.708 25782 1004 1 15 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.305 -2.665 25782 1005 1 15 . 1 1 19 19 LEU H H 19 8.305 8.305 7.532 0.773 25782 1006 1 16 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.566 0.088 25782 1007 1 16 . 1 1 2 2 LEU CB C 2 38.069 38.069 39.650 -1.581 25782 1008 1 16 . 1 1 2 2 LEU H H 2 8.218 8.218 8.555 -0.337 25782 1009 1 16 . 1 1 3 3 THR HA H 3 4.427 4.427 4.537 -0.110 25782 1010 1 16 . 1 1 3 3 THR CA C 3 58.900 58.900 60.279 -1.379 25782 1011 1 16 . 1 1 3 3 THR CB C 3 69.080 69.080 70.916 -1.836 25782 1012 1 16 . 1 1 3 3 THR H H 3 7.153 7.153 7.618 -0.465 25782 1013 1 16 . 1 1 4 4 GLN HA H 4 3.801 3.801 2.634 1.167 25782 1014 1 16 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.159 -2.256 25782 1015 1 16 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.781 -2.744 25782 1016 1 16 . 1 1 4 4 GLN H H 4 8.138 8.138 8.258 -0.120 25782 1017 1 16 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.419 -0.322 25782 1018 1 16 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.770 -3.881 25782 1019 1 16 . 1 1 5 5 ILE H H 5 7.613 7.613 7.390 0.223 25782 1020 1 16 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.332 -0.059 25782 1021 1 16 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.848 -1.281 25782 1022 1 16 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.073 -2.263 25782 1023 1 16 . 1 1 6 6 GLN H H 6 8.982 8.982 8.928 0.054 25782 1024 1 16 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.464 -0.411 25782 1025 1 16 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.606 -1.980 25782 1026 1 16 . 1 1 7 7 ALA CB C 7 17.129 17.129 20.911 -3.782 25782 1027 1 16 . 1 1 7 7 ALA H H 7 8.226 8.226 8.205 0.021 25782 1028 1 16 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.533 -0.546 25782 1029 1 16 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.092 -0.910 25782 1030 1 16 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.184 -2.712 25782 1031 1 16 . 1 1 8 8 LEU H H 8 7.617 7.617 8.253 -0.636 25782 1032 1 16 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.711 -0.347 25782 1033 1 16 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.398 -2.981 25782 1034 1 16 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.344 -1.312 25782 1035 1 16 . 1 1 9 9 ASP H H 9 7.375 7.375 8.644 -1.269 25782 1036 1 16 . 1 1 10 10 SER HA H 10 4.224 4.224 4.354 -0.130 25782 1037 1 16 . 1 1 10 10 SER CA C 10 57.758 57.758 61.127 -3.369 25782 1038 1 16 . 1 1 10 10 SER CB C 10 58.172 58.172 63.846 -5.674 25782 1039 1 16 . 1 1 10 10 SER H H 10 9.635 9.635 9.078 0.557 25782 1040 1 16 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.170 -0.126 25782 1041 1 16 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.741 -0.633 25782 1042 1 16 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.713 -3.309 25782 1043 1 16 . 1 1 11 11 VAL H H 11 8.955 8.955 8.208 0.747 25782 1044 1 16 . 1 1 12 12 SER HA H 12 4.483 4.483 4.621 -0.138 25782 1045 1 16 . 1 1 12 12 SER CA C 12 55.522 55.522 57.643 -2.121 25782 1046 1 16 . 1 1 12 12 SER CB C 12 61.278 61.278 65.672 -4.394 25782 1047 1 16 . 1 1 12 12 SER H H 12 7.700 7.700 8.672 -0.972 25782 1048 1 16 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.171 -2.885 25782 1049 1 16 . 1 1 13 13 GLY H H 13 8.790 8.790 8.413 0.377 25782 1050 1 16 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.542 -0.241 25782 1051 1 16 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.591 -2.085 25782 1052 1 16 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.238 -2.865 25782 1053 1 16 . 1 1 14 14 GLN H H 14 8.160 8.160 8.248 -0.088 25782 1054 1 16 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.124 0.273 25782 1055 1 16 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.589 -3.085 25782 1056 1 16 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.877 -3.842 25782 1057 1 16 . 1 1 15 15 PHE H H 15 8.170 8.170 7.750 0.420 25782 1058 1 16 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.418 -0.826 25782 1059 1 16 . 1 1 16 16 ARG CA C 16 53.161 53.161 55.798 -2.637 25782 1060 1 16 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.707 -2.665 25782 1061 1 16 . 1 1 16 16 ARG H H 16 8.904 8.904 8.917 -0.013 25782 1062 1 16 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.534 -0.203 25782 1063 1 16 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.717 -5.200 25782 1064 1 16 . 1 1 17 17 ASP H H 17 8.505 8.505 8.906 -0.401 25782 1065 1 16 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.114 -0.225 25782 1066 1 16 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.639 -3.393 25782 1067 1 16 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.064 -2.561 25782 1068 1 16 . 1 1 18 18 GLN H H 18 8.606 8.606 8.670 -0.064 25782 1069 1 16 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.627 -0.354 25782 1070 1 16 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.272 -1.905 25782 1071 1 16 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.817 -2.177 25782 1072 1 16 . 1 1 19 19 LEU H H 19 8.305 8.305 7.587 0.718 25782 1073 1 17 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.487 0.167 25782 1074 1 17 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.370 -4.301 25782 1075 1 17 . 1 1 2 2 LEU H H 2 8.218 8.218 8.460 -0.242 25782 1076 1 17 . 1 1 3 3 THR HA H 3 4.427 4.427 4.146 0.281 25782 1077 1 17 . 1 1 3 3 THR CA C 3 58.900 58.900 61.987 -3.087 25782 1078 1 17 . 1 1 3 3 THR CB C 3 69.080 69.080 69.416 -0.336 25782 1079 1 17 . 1 1 3 3 THR H H 3 7.153 7.153 7.693 -0.540 25782 1080 1 17 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.888 -0.087 25782 1081 1 17 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.739 -2.836 25782 1082 1 17 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.518 -2.481 25782 1083 1 17 . 1 1 4 4 GLN H H 4 8.138 8.138 8.503 -0.365 25782 1084 1 17 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.014 0.083 25782 1085 1 17 . 1 1 5 5 ILE CB C 5 36.889 36.889 41.650 -4.761 25782 1086 1 17 . 1 1 5 5 ILE H H 5 7.613 7.613 7.248 0.365 25782 1087 1 17 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.721 -0.448 25782 1088 1 17 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.188 -0.621 25782 1089 1 17 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.576 -1.766 25782 1090 1 17 . 1 1 6 6 GLN H H 6 8.982 8.982 8.619 0.363 25782 1091 1 17 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.413 -0.360 25782 1092 1 17 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.674 -2.048 25782 1093 1 17 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.316 -4.186 25782 1094 1 17 . 1 1 7 7 ALA H H 7 8.226 8.226 8.277 -0.051 25782 1095 1 17 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.439 -0.452 25782 1096 1 17 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.351 -1.169 25782 1097 1 17 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.447 -1.975 25782 1098 1 17 . 1 1 8 8 LEU H H 8 7.617 7.617 8.298 -0.681 25782 1099 1 17 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.633 -0.269 25782 1100 1 17 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.929 -3.512 25782 1101 1 17 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.378 -1.346 25782 1102 1 17 . 1 1 9 9 ASP H H 9 7.375 7.375 8.427 -1.052 25782 1103 1 17 . 1 1 10 10 SER HA H 10 4.224 4.224 4.224 0.000 25782 1104 1 17 . 1 1 10 10 SER CA C 10 57.758 57.758 61.467 -3.709 25782 1105 1 17 . 1 1 10 10 SER CB C 10 58.172 58.172 63.672 -5.500 25782 1106 1 17 . 1 1 10 10 SER H H 10 9.635 9.635 9.443 0.192 25782 1107 1 17 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.152 -0.108 25782 1108 1 17 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.857 -0.749 25782 1109 1 17 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.613 -3.209 25782 1110 1 17 . 1 1 11 11 VAL H H 11 8.955 8.955 8.240 0.715 25782 1111 1 17 . 1 1 12 12 SER HA H 12 4.483 4.483 4.614 -0.131 25782 1112 1 17 . 1 1 12 12 SER CA C 12 55.522 55.522 57.665 -2.143 25782 1113 1 17 . 1 1 12 12 SER CB C 12 61.278 61.278 65.653 -4.375 25782 1114 1 17 . 1 1 12 12 SER H H 12 7.700 7.700 8.327 -0.627 25782 1115 1 17 . 1 1 13 13 GLY CA C 13 42.286 42.286 45.255 -2.969 25782 1116 1 17 . 1 1 13 13 GLY H H 13 8.790 8.790 8.471 0.319 25782 1117 1 17 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.455 -0.154 25782 1118 1 17 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.717 -2.211 25782 1119 1 17 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.339 -2.966 25782 1120 1 17 . 1 1 14 14 GLN H H 14 8.160 8.160 8.132 0.028 25782 1121 1 17 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.273 0.124 25782 1122 1 17 . 1 1 15 15 PHE CA C 15 53.504 53.504 54.906 -1.402 25782 1123 1 17 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.199 -3.164 25782 1124 1 17 . 1 1 15 15 PHE H H 15 8.170 8.170 7.492 0.678 25782 1125 1 17 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.368 -0.776 25782 1126 1 17 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.049 -2.888 25782 1127 1 17 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.379 -2.337 25782 1128 1 17 . 1 1 16 16 ARG H H 16 8.904 8.904 9.003 -0.099 25782 1129 1 17 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.657 -0.326 25782 1130 1 17 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.450 -4.933 25782 1131 1 17 . 1 1 17 17 ASP H H 17 8.505 8.505 8.670 -0.165 25782 1132 1 17 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.142 -0.253 25782 1133 1 17 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.863 -3.617 25782 1134 1 17 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.145 -2.642 25782 1135 1 17 . 1 1 18 18 GLN H H 18 8.606 8.606 8.465 0.141 25782 1136 1 17 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.408 -0.135 25782 1137 1 17 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.779 -2.412 25782 1138 1 17 . 1 1 19 19 LEU CB C 19 39.640 39.640 39.108 0.532 25782 1139 1 17 . 1 1 19 19 LEU H H 19 8.305 8.305 8.121 0.184 25782 1140 1 18 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.585 0.069 25782 1141 1 18 . 1 1 2 2 LEU CB C 2 38.069 38.069 40.625 -2.556 25782 1142 1 18 . 1 1 2 2 LEU H H 2 8.218 8.218 8.618 -0.400 25782 1143 1 18 . 1 1 3 3 THR HA H 3 4.427 4.427 4.555 -0.128 25782 1144 1 18 . 1 1 3 3 THR CA C 3 58.900 58.900 59.888 -0.988 25782 1145 1 18 . 1 1 3 3 THR CB C 3 69.080 69.080 70.993 -1.913 25782 1146 1 18 . 1 1 3 3 THR H H 3 7.153 7.153 7.740 -0.587 25782 1147 1 18 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.140 0.661 25782 1148 1 18 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.480 -2.577 25782 1149 1 18 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.247 -3.210 25782 1150 1 18 . 1 1 4 4 GLN H H 4 8.138 8.138 8.295 -0.157 25782 1151 1 18 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.275 -0.178 25782 1152 1 18 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.788 -2.899 25782 1153 1 18 . 1 1 5 5 ILE H H 5 7.613 7.613 7.283 0.330 25782 1154 1 18 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.514 -0.241 25782 1155 1 18 . 1 1 6 6 GLN CA C 6 55.567 55.567 55.870 -0.303 25782 1156 1 18 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.675 -1.865 25782 1157 1 18 . 1 1 6 6 GLN H H 6 8.982 8.982 8.821 0.161 25782 1158 1 18 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.420 -0.367 25782 1159 1 18 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.390 -1.764 25782 1160 1 18 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.470 -4.341 25782 1161 1 18 . 1 1 7 7 ALA H H 7 8.226 8.226 8.125 0.101 25782 1162 1 18 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.292 -0.305 25782 1163 1 18 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.743 -1.561 25782 1164 1 18 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.657 -2.185 25782 1165 1 18 . 1 1 8 8 LEU H H 8 7.617 7.617 8.340 -0.723 25782 1166 1 18 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.536 -0.172 25782 1167 1 18 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.776 -3.359 25782 1168 1 18 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.405 -1.373 25782 1169 1 18 . 1 1 9 9 ASP H H 9 7.375 7.375 8.415 -1.040 25782 1170 1 18 . 1 1 10 10 SER HA H 10 4.224 4.224 4.248 -0.024 25782 1171 1 18 . 1 1 10 10 SER CA C 10 57.758 57.758 60.744 -2.986 25782 1172 1 18 . 1 1 10 10 SER CB C 10 58.172 58.172 63.595 -5.423 25782 1173 1 18 . 1 1 10 10 SER H H 10 9.635 9.635 8.828 0.807 25782 1174 1 18 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.237 -0.193 25782 1175 1 18 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.757 -0.649 25782 1176 1 18 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.830 -3.426 25782 1177 1 18 . 1 1 11 11 VAL H H 11 8.955 8.955 8.467 0.488 25782 1178 1 18 . 1 1 12 12 SER HA H 12 4.483 4.483 4.564 -0.081 25782 1179 1 18 . 1 1 12 12 SER CA C 12 55.522 55.522 57.867 -2.345 25782 1180 1 18 . 1 1 12 12 SER CB C 12 61.278 61.278 65.126 -3.848 25782 1181 1 18 . 1 1 12 12 SER H H 12 7.700 7.700 8.284 -0.584 25782 1182 1 18 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.684 -2.398 25782 1183 1 18 . 1 1 13 13 GLY H H 13 8.790 8.790 8.433 0.357 25782 1184 1 18 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.252 0.049 25782 1185 1 18 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.122 -2.616 25782 1186 1 18 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.525 -2.152 25782 1187 1 18 . 1 1 14 14 GLN H H 14 8.160 8.160 8.448 -0.288 25782 1188 1 18 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.212 0.185 25782 1189 1 18 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.159 -2.655 25782 1190 1 18 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.260 -3.225 25782 1191 1 18 . 1 1 15 15 PHE H H 15 8.170 8.170 7.424 0.746 25782 1192 1 18 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.291 -0.699 25782 1193 1 18 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.030 -2.869 25782 1194 1 18 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.758 -2.716 25782 1195 1 18 . 1 1 16 16 ARG H H 16 8.904 8.904 8.744 0.160 25782 1196 1 18 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.593 -0.262 25782 1197 1 18 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.450 -4.933 25782 1198 1 18 . 1 1 17 17 ASP H H 17 8.505 8.505 8.773 -0.268 25782 1199 1 18 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.085 -0.196 25782 1200 1 18 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.729 -3.483 25782 1201 1 18 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.104 -2.601 25782 1202 1 18 . 1 1 18 18 GLN H H 18 8.606 8.606 8.418 0.188 25782 1203 1 18 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.631 -0.358 25782 1204 1 18 . 1 1 19 19 LEU CA C 19 52.367 52.367 54.192 -1.825 25782 1205 1 18 . 1 1 19 19 LEU CB C 19 39.640 39.640 43.422 -3.782 25782 1206 1 18 . 1 1 19 19 LEU H H 19 8.305 8.305 7.406 0.899 25782 1207 1 19 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.644 0.010 25782 1208 1 19 . 1 1 2 2 LEU CB C 2 38.069 38.069 40.925 -2.856 25782 1209 1 19 . 1 1 2 2 LEU H H 2 8.218 8.218 8.559 -0.341 25782 1210 1 19 . 1 1 3 3 THR HA H 3 4.427 4.427 4.271 0.156 25782 1211 1 19 . 1 1 3 3 THR CA C 3 58.900 58.900 61.500 -2.600 25782 1212 1 19 . 1 1 3 3 THR CB C 3 69.080 69.080 69.359 -0.279 25782 1213 1 19 . 1 1 3 3 THR H H 3 7.153 7.153 7.544 -0.391 25782 1214 1 19 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.479 0.322 25782 1215 1 19 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.795 -2.892 25782 1216 1 19 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.759 -3.723 25782 1217 1 19 . 1 1 4 4 GLN H H 4 8.138 8.138 8.307 -0.169 25782 1218 1 19 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.264 -0.167 25782 1219 1 19 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.951 -3.062 25782 1220 1 19 . 1 1 5 5 ILE H H 5 7.613 7.613 7.617 -0.004 25782 1221 1 19 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.711 -0.438 25782 1222 1 19 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.742 -1.175 25782 1223 1 19 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.695 -2.885 25782 1224 1 19 . 1 1 6 6 GLN H H 6 8.982 8.982 8.879 0.103 25782 1225 1 19 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.581 -0.528 25782 1226 1 19 . 1 1 7 7 ALA CA C 7 49.626 49.626 50.959 -1.333 25782 1227 1 19 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.703 -4.574 25782 1228 1 19 . 1 1 7 7 ALA H H 7 8.226 8.226 8.146 0.080 25782 1229 1 19 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.252 -0.265 25782 1230 1 19 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.476 -1.294 25782 1231 1 19 . 1 1 8 8 LEU CB C 8 39.472 39.472 40.830 -1.358 25782 1232 1 19 . 1 1 8 8 LEU H H 8 7.617 7.617 8.323 -0.706 25782 1233 1 19 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.599 -0.235 25782 1234 1 19 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.650 -3.233 25782 1235 1 19 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.275 -1.243 25782 1236 1 19 . 1 1 9 9 ASP H H 9 7.375 7.375 8.401 -1.026 25782 1237 1 19 . 1 1 10 10 SER HA H 10 4.224 4.224 4.254 -0.030 25782 1238 1 19 . 1 1 10 10 SER CA C 10 57.758 57.758 60.727 -2.969 25782 1239 1 19 . 1 1 10 10 SER CB C 10 58.172 58.172 63.800 -5.628 25782 1240 1 19 . 1 1 10 10 SER H H 10 9.635 9.635 9.283 0.352 25782 1241 1 19 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.203 -0.159 25782 1242 1 19 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.974 -0.866 25782 1243 1 19 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.806 -3.402 25782 1244 1 19 . 1 1 11 11 VAL H H 11 8.955 8.955 8.104 0.851 25782 1245 1 19 . 1 1 12 12 SER HA H 12 4.483 4.483 4.571 -0.088 25782 1246 1 19 . 1 1 12 12 SER CA C 12 55.522 55.522 57.855 -2.333 25782 1247 1 19 . 1 1 12 12 SER CB C 12 61.278 61.278 65.028 -3.750 25782 1248 1 19 . 1 1 12 12 SER H H 12 7.700 7.700 8.293 -0.593 25782 1249 1 19 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.697 -2.411 25782 1250 1 19 . 1 1 13 13 GLY H H 13 8.790 8.790 8.362 0.428 25782 1251 1 19 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.283 0.018 25782 1252 1 19 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.995 -2.490 25782 1253 1 19 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.145 -2.772 25782 1254 1 19 . 1 1 14 14 GLN H H 14 8.160 8.160 8.136 0.024 25782 1255 1 19 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.278 0.119 25782 1256 1 19 . 1 1 15 15 PHE CA C 15 53.504 53.504 56.009 -2.505 25782 1257 1 19 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.142 -3.107 25782 1258 1 19 . 1 1 15 15 PHE H H 15 8.170 8.170 7.378 0.792 25782 1259 1 19 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.260 -0.668 25782 1260 1 19 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.480 -3.318 25782 1261 1 19 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.591 -2.549 25782 1262 1 19 . 1 1 16 16 ARG H H 16 8.904 8.904 8.907 -0.003 25782 1263 1 19 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.652 -0.321 25782 1264 1 19 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.547 -5.030 25782 1265 1 19 . 1 1 17 17 ASP H H 17 8.505 8.505 8.755 -0.250 25782 1266 1 19 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.077 -0.188 25782 1267 1 19 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.599 -3.353 25782 1268 1 19 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.233 -2.730 25782 1269 1 19 . 1 1 18 18 GLN H H 18 8.606 8.606 8.438 0.168 25782 1270 1 19 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.308 -0.035 25782 1271 1 19 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.428 -3.061 25782 1272 1 19 . 1 1 19 19 LEU CB C 19 39.640 39.640 42.256 -2.616 25782 1273 1 19 . 1 1 19 19 LEU H H 19 8.305 8.305 7.685 0.620 25782 1274 1 20 . 1 1 2 2 LEU HA H 2 4.654 4.654 4.569 0.085 25782 1275 1 20 . 1 1 2 2 LEU CB C 2 38.069 38.069 42.069 -4.000 25782 1276 1 20 . 1 1 2 2 LEU H H 2 8.218 8.218 8.504 -0.286 25782 1277 1 20 . 1 1 3 3 THR HA H 3 4.427 4.427 4.365 0.062 25782 1278 1 20 . 1 1 3 3 THR CA C 3 58.900 58.900 60.970 -2.070 25782 1279 1 20 . 1 1 3 3 THR CB C 3 69.080 69.080 70.180 -1.100 25782 1280 1 20 . 1 1 3 3 THR H H 3 7.153 7.153 7.567 -0.414 25782 1281 1 20 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.179 0.622 25782 1282 1 20 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.320 -2.417 25782 1283 1 20 . 1 1 4 4 GLN CB C 4 26.037 26.037 28.950 -2.913 25782 1284 1 20 . 1 1 4 4 GLN H H 4 8.138 8.138 8.253 -0.115 25782 1285 1 20 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.185 -0.088 25782 1286 1 20 . 1 1 5 5 ILE CB C 5 36.889 36.889 39.665 -2.776 25782 1287 1 20 . 1 1 5 5 ILE H H 5 7.613 7.613 7.210 0.403 25782 1288 1 20 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.725 -0.452 25782 1289 1 20 . 1 1 6 6 GLN CA C 6 55.567 55.567 55.494 0.073 25782 1290 1 20 . 1 1 6 6 GLN CB C 6 25.810 25.810 27.272 -1.462 25782 1291 1 20 . 1 1 6 6 GLN H H 6 8.982 8.982 8.838 0.144 25782 1292 1 20 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.610 -0.557 25782 1293 1 20 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.177 -1.551 25782 1294 1 20 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.627 -4.498 25782 1295 1 20 . 1 1 7 7 ALA H H 7 8.226 8.226 8.152 0.074 25782 1296 1 20 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.333 -0.346 25782 1297 1 20 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.079 -0.897 25782 1298 1 20 . 1 1 8 8 LEU CB C 8 39.472 39.472 41.332 -1.860 25782 1299 1 20 . 1 1 8 8 LEU H H 8 7.617 7.617 8.367 -0.750 25782 1300 1 20 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.566 -0.202 25782 1301 1 20 . 1 1 9 9 ASP CA C 9 51.417 51.417 55.051 -3.634 25782 1302 1 20 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.237 -1.205 25782 1303 1 20 . 1 1 9 9 ASP H H 9 7.375 7.375 8.239 -0.864 25782 1304 1 20 . 1 1 10 10 SER HA H 10 4.224 4.224 4.329 -0.105 25782 1305 1 20 . 1 1 10 10 SER CA C 10 57.758 57.758 60.504 -2.746 25782 1306 1 20 . 1 1 10 10 SER CB C 10 58.172 58.172 63.889 -5.717 25782 1307 1 20 . 1 1 10 10 SER H H 10 9.635 9.635 9.080 0.555 25782 1308 1 20 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.225 -0.181 25782 1309 1 20 . 1 1 11 11 VAL CA C 11 62.108 62.108 62.730 -0.622 25782 1310 1 20 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.626 -3.222 25782 1311 1 20 . 1 1 11 11 VAL H H 11 8.955 8.955 8.450 0.505 25782 1312 1 20 . 1 1 12 12 SER HA H 12 4.483 4.483 4.603 -0.120 25782 1313 1 20 . 1 1 12 12 SER CA C 12 55.522 55.522 57.497 -1.975 25782 1314 1 20 . 1 1 12 12 SER CB C 12 61.278 61.278 65.154 -3.876 25782 1315 1 20 . 1 1 12 12 SER H H 12 7.700 7.700 8.438 -0.738 25782 1316 1 20 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.751 -2.465 25782 1317 1 20 . 1 1 13 13 GLY H H 13 8.790 8.790 8.459 0.331 25782 1318 1 20 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.266 0.035 25782 1319 1 20 . 1 1 14 14 GLN CA C 14 52.506 52.506 55.134 -2.628 25782 1320 1 20 . 1 1 14 14 GLN CB C 14 26.373 26.373 28.978 -2.605 25782 1321 1 20 . 1 1 14 14 GLN H H 14 8.160 8.160 8.069 0.090 25782 1322 1 20 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.320 0.077 25782 1323 1 20 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.728 -2.224 25782 1324 1 20 . 1 1 15 15 PHE CB C 15 39.035 39.035 41.845 -2.810 25782 1325 1 20 . 1 1 15 15 PHE H H 15 8.170 8.170 7.379 0.791 25782 1326 1 20 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.282 -0.690 25782 1327 1 20 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.128 -2.967 25782 1328 1 20 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.664 -2.622 25782 1329 1 20 . 1 1 16 16 ARG H H 16 8.904 8.904 8.643 0.261 25782 1330 1 20 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.623 -0.292 25782 1331 1 20 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.407 -4.890 25782 1332 1 20 . 1 1 17 17 ASP H H 17 8.505 8.505 8.837 -0.332 25782 1333 1 20 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.162 -0.273 25782 1334 1 20 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.791 -3.545 25782 1335 1 20 . 1 1 18 18 GLN CB C 18 26.503 26.503 28.650 -2.147 25782 1336 1 20 . 1 1 18 18 GLN H H 18 8.606 8.606 8.610 -0.004 25782 1337 1 20 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.122 0.151 25782 1338 1 20 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.248 -2.881 25782 1339 1 20 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.908 -2.268 25782 1340 1 20 . 1 1 19 19 LEU H H 19 8.305 8.305 7.789 0.516 25782 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 25782 2 1 1 "Average Difference" HA 19 0.408 0.017 0.419 25782 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25782 4 1 1 "Average Difference" CA 15 2.617 2.502 0.794 25782 5 1 1 "Average Difference" CB 17 3.334 3.055 1.377 25782 6 1 1 "Average Difference" HN 18 0.505 0.020 0.519 25782 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25782 8 1 2 "Average Difference" HA 19 0.384 0.111 0.378 25782 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25782 10 1 2 "Average Difference" CA 15 2.404 2.260 0.848 25782 11 1 2 "Average Difference" CB 17 3.368 3.139 1.258 25782 12 1 2 "Average Difference" HN 18 0.460 0.027 0.472 25782 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25782 14 1 3 "Average Difference" HA 19 0.401 0.101 0.398 25782 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25782 16 1 3 "Average Difference" CA 15 2.236 2.131 0.702 25782 17 1 3 "Average Difference" CB 17 3.335 3.121 1.212 25782 18 1 3 "Average Difference" HN 18 0.459 0.050 0.470 25782 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25782 20 1 4 "Average Difference" HA 19 0.359 0.118 0.348 25782 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25782 22 1 4 "Average Difference" CA 15 2.467 2.291 0.948 25782 23 1 4 "Average Difference" CB 17 3.525 3.248 1.411 25782 24 1 4 "Average Difference" HN 18 0.451 0.077 0.457 25782 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25782 26 1 5 "Average Difference" HA 19 0.388 0.084 0.389 25782 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25782 28 1 5 "Average Difference" CA 15 2.478 2.304 0.944 25782 29 1 5 "Average Difference" CB 17 3.531 3.299 1.297 25782 30 1 5 "Average Difference" HN 18 0.461 0.067 0.469 25782 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25782 32 1 6 "Average Difference" HA 19 0.353 0.068 0.356 25782 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25782 34 1 6 "Average Difference" CA 15 2.604 2.435 0.954 25782 35 1 6 "Average Difference" CB 17 3.255 3.032 1.222 25782 36 1 6 "Average Difference" HN 18 0.489 -0.026 0.502 25782 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25782 38 1 7 "Average Difference" HA 19 0.432 0.105 0.430 25782 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25782 40 1 7 "Average Difference" CA 15 2.410 2.223 0.965 25782 41 1 7 "Average Difference" CB 17 3.254 3.015 1.262 25782 42 1 7 "Average Difference" HN 18 0.421 0.017 0.433 25782 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25782 44 1 8 "Average Difference" HA 19 0.403 0.121 0.395 25782 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25782 46 1 8 "Average Difference" CA 15 2.618 2.446 0.966 25782 47 1 8 "Average Difference" CB 17 3.327 3.159 1.075 25782 48 1 8 "Average Difference" HN 18 0.516 -0.044 0.529 25782 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25782 50 1 9 "Average Difference" HA 19 0.318 0.091 0.313 25782 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25782 52 1 9 "Average Difference" CA 15 2.381 2.281 0.707 25782 53 1 9 "Average Difference" CB 17 3.393 3.144 1.314 25782 54 1 9 "Average Difference" HN 18 0.450 0.023 0.462 25782 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25782 56 1 10 "Average Difference" HA 19 0.385 0.102 0.381 25782 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25782 58 1 10 "Average Difference" CA 15 2.489 2.349 0.851 25782 59 1 10 "Average Difference" CB 17 3.337 3.119 1.223 25782 60 1 10 "Average Difference" HN 18 0.466 -0.024 0.479 25782 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25782 62 1 11 "Average Difference" HA 19 0.300 0.082 0.297 25782 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25782 64 1 11 "Average Difference" CA 15 2.433 2.345 0.672 25782 65 1 11 "Average Difference" CB 17 3.408 3.170 1.291 25782 66 1 11 "Average Difference" HN 18 0.468 0.003 0.482 25782 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25782 68 1 12 "Average Difference" HA 19 0.337 0.092 0.333 25782 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25782 70 1 12 "Average Difference" CA 15 2.484 2.256 1.076 25782 71 1 12 "Average Difference" CB 17 3.237 3.006 1.238 25782 72 1 12 "Average Difference" HN 18 0.443 -0.040 0.454 25782 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25782 74 1 13 "Average Difference" HA 19 0.383 0.073 0.387 25782 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25782 76 1 13 "Average Difference" CA 15 2.378 2.246 0.809 25782 77 1 13 "Average Difference" CB 17 3.275 3.065 1.190 25782 78 1 13 "Average Difference" HN 18 0.462 -0.012 0.475 25782 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25782 80 1 14 "Average Difference" HA 19 0.346 0.075 0.347 25782 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25782 82 1 14 "Average Difference" CA 15 2.498 2.372 0.811 25782 83 1 14 "Average Difference" CB 17 3.210 2.890 1.440 25782 84 1 14 "Average Difference" HN 18 0.514 -0.016 0.529 25782 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25782 86 1 15 "Average Difference" HA 19 0.388 0.046 0.396 25782 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25782 88 1 15 "Average Difference" CA 15 2.414 2.248 0.912 25782 89 1 15 "Average Difference" CB 17 3.408 3.157 1.323 25782 90 1 15 "Average Difference" HN 18 0.514 -0.047 0.527 25782 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25782 92 1 16 "Average Difference" HA 19 0.425 0.098 0.425 25782 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25782 94 1 16 "Average Difference" CA 15 2.349 2.193 0.872 25782 95 1 16 "Average Difference" CB 17 3.324 3.106 1.221 25782 96 1 16 "Average Difference" HN 18 0.539 0.069 0.550 25782 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25782 98 1 17 "Average Difference" HA 19 0.330 0.103 0.322 25782 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25782 100 1 17 "Average Difference" CA 15 2.552 2.358 1.009 25782 101 1 17 "Average Difference" CB 17 3.337 2.926 1.654 25782 102 1 17 "Average Difference" HN 18 0.466 0.047 0.478 25782 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25782 104 1 18 "Average Difference" HA 19 0.310 0.089 0.305 25782 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25782 106 1 18 "Average Difference" CA 15 2.348 2.159 0.957 25782 107 1 18 "Average Difference" CB 17 3.269 3.085 1.113 25782 108 1 18 "Average Difference" HN 18 0.538 -0.011 0.554 25782 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25782 110 1 19 "Average Difference" HA 19 0.297 0.098 0.288 25782 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25782 112 1 19 "Average Difference" CA 15 2.521 2.389 0.834 25782 113 1 19 "Average Difference" CB 17 3.297 3.033 1.333 25782 114 1 19 "Average Difference" HN 18 0.492 0.004 0.506 25782 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25782 116 1 20 "Average Difference" HA 19 0.349 0.071 0.351 25782 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25782 118 1 20 "Average Difference" CA 15 2.394 2.170 1.047 25782 119 1 20 "Average Difference" CB 17 3.199 2.939 1.302 25782 120 1 20 "Average Difference" HN 18 0.475 -0.009 0.489 25782 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 25782 _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 LEU HA H 2 4.654 4.654 4.539 0.115 25782 2 1 . 1 1 2 2 LEU CB C 2 38.069 38.069 41.638 -3.569 25782 3 1 . 1 1 2 2 LEU H H 2 8.218 8.218 8.562 -0.344 25782 4 1 . 1 1 3 3 THR HA H 3 4.427 4.427 4.304 0.123 25782 5 1 . 1 1 3 3 THR CA C 3 58.900 58.900 61.308 -2.408 25782 6 1 . 1 1 3 3 THR CB C 3 69.080 69.080 70.045 -0.965 25782 7 1 . 1 1 3 3 THR H H 3 7.153 7.153 7.713 -0.560 25782 8 1 . 1 1 4 4 GLN HA H 4 3.801 3.801 3.191 0.610 25782 9 1 . 1 1 4 4 GLN CA C 4 51.903 51.903 54.425 -2.522 25782 10 1 . 1 1 4 4 GLN CB C 4 26.037 26.037 29.080 -3.044 25782 11 1 . 1 1 4 4 GLN H H 4 8.138 8.138 8.307 -0.169 25782 12 1 . 1 1 5 5 ILE HA H 5 4.097 4.097 4.224 -0.127 25782 13 1 . 1 1 5 5 ILE CB C 5 36.889 36.889 40.415 -3.526 25782 14 1 . 1 1 5 5 ILE H H 5 7.613 7.613 7.331 0.282 25782 15 1 . 1 1 6 6 GLN HA H 6 4.273 4.273 4.691 -0.418 25782 16 1 . 1 1 6 6 GLN CA C 6 55.567 55.567 56.511 -0.944 25782 17 1 . 1 1 6 6 GLN CB C 6 25.810 25.810 28.212 -2.402 25782 18 1 . 1 1 6 6 GLN H H 6 8.982 8.982 8.789 0.193 25782 19 1 . 1 1 7 7 ALA HA H 7 4.053 4.053 4.530 -0.477 25782 20 1 . 1 1 7 7 ALA CA C 7 49.626 49.626 51.315 -1.689 25782 21 1 . 1 1 7 7 ALA CB C 7 17.129 17.129 21.446 -4.317 25782 22 1 . 1 1 7 7 ALA H H 7 8.226 8.226 8.259 -0.033 25782 23 1 . 1 1 8 8 LEU HA H 8 3.987 3.987 4.389 -0.402 25782 24 1 . 1 1 8 8 LEU CA C 8 53.182 53.182 54.507 -1.325 25782 25 1 . 1 1 8 8 LEU CB C 8 39.472 39.472 42.138 -2.666 25782 26 1 . 1 1 8 8 LEU H H 8 7.617 7.617 8.286 -0.669 25782 27 1 . 1 1 9 9 ASP HA H 9 4.364 4.364 4.692 -0.328 25782 28 1 . 1 1 9 9 ASP CA C 9 51.417 51.417 54.457 -3.040 25782 29 1 . 1 1 9 9 ASP CB C 9 41.032 41.032 42.553 -1.521 25782 30 1 . 1 1 9 9 ASP H H 9 7.375 7.375 8.281 -0.906 25782 31 1 . 1 1 10 10 SER HA H 10 4.224 4.224 4.253 -0.029 25782 32 1 . 1 1 10 10 SER CA C 10 57.758 57.758 60.924 -3.166 25782 33 1 . 1 1 10 10 SER CB C 10 58.172 58.172 63.673 -5.501 25782 34 1 . 1 1 10 10 SER H H 10 9.635 9.635 9.042 0.593 25782 35 1 . 1 1 11 11 VAL HA H 11 4.044 4.044 4.156 -0.112 25782 36 1 . 1 1 11 11 VAL CA C 11 62.108 62.108 63.023 -0.915 25782 37 1 . 1 1 11 11 VAL CB C 11 30.404 30.404 33.352 -2.948 25782 38 1 . 1 1 11 11 VAL H H 11 8.955 8.955 8.326 0.629 25782 39 1 . 1 1 12 12 SER HA H 12 4.483 4.483 4.589 -0.106 25782 40 1 . 1 1 12 12 SER CA C 12 55.522 55.522 57.755 -2.233 25782 41 1 . 1 1 12 12 SER CB C 12 61.278 61.278 65.133 -3.855 25782 42 1 . 1 1 12 12 SER H H 12 7.700 7.700 8.164 -0.464 25782 43 1 . 1 1 13 13 GLY CA C 13 42.286 42.286 44.831 -2.545 25782 44 1 . 1 1 13 13 GLY H H 13 8.790 8.790 8.398 0.392 25782 45 1 . 1 1 14 14 GLN HA H 14 4.301 4.301 4.386 -0.085 25782 46 1 . 1 1 14 14 GLN CA C 14 52.506 52.506 54.862 -2.356 25782 47 1 . 1 1 14 14 GLN CB C 14 26.373 26.373 29.145 -2.772 25782 48 1 . 1 1 14 14 GLN H H 14 8.160 8.160 8.181 -0.021 25782 49 1 . 1 1 15 15 PHE HA H 15 5.397 5.397 5.281 0.116 25782 50 1 . 1 1 15 15 PHE CA C 15 53.504 53.504 55.832 -2.328 25782 51 1 . 1 1 15 15 PHE CB C 15 39.035 39.035 42.174 -3.139 25782 52 1 . 1 1 15 15 PHE H H 15 8.170 8.170 7.501 0.669 25782 53 1 . 1 1 16 16 ARG HA H 16 3.592 3.592 4.345 -0.753 25782 54 1 . 1 1 16 16 ARG CA C 16 53.161 53.161 56.054 -2.893 25782 55 1 . 1 1 16 16 ARG CB C 16 29.042 29.042 31.683 -2.641 25782 56 1 . 1 1 16 16 ARG H H 16 8.904 8.904 8.874 0.030 25782 57 1 . 1 1 17 17 ASP HA H 17 4.331 4.331 4.624 -0.293 25782 58 1 . 1 1 17 17 ASP CB C 17 36.517 36.517 41.540 -5.023 25782 59 1 . 1 1 17 17 ASP H H 17 8.505 8.505 8.771 -0.266 25782 60 1 . 1 1 18 18 GLN HA H 18 3.889 3.889 4.121 -0.232 25782 61 1 . 1 1 18 18 GLN CA C 18 54.246 54.246 57.583 -3.337 25782 62 1 . 1 1 18 18 GLN CB C 18 26.503 26.503 29.004 -2.501 25782 63 1 . 1 1 18 18 GLN H H 18 8.606 8.606 8.591 0.015 25782 64 1 . 1 1 19 19 LEU HA H 19 4.273 4.273 4.266 0.007 25782 65 1 . 1 1 19 19 LEU CA C 19 52.367 52.367 55.134 -2.767 25782 66 1 . 1 1 19 19 LEU CB C 19 39.640 39.640 41.702 -2.062 25782 67 1 . 1 1 19 19 LEU H H 19 8.305 8.305 7.832 0.473 25782 stop_ save_