data_25783 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25783 _Entry.PDB_ID 2N6V 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 25783 _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 PRO HA H 2 4.755 4.755 4.643 0.112 25783 2 1 1 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.432 -4.911 25783 3 1 1 . 1 1 3 3 THR HA H 3 4.661 4.661 4.284 0.377 25783 4 1 1 . 1 1 3 3 THR CA C 3 58.119 58.119 60.516 -2.397 25783 5 1 1 . 1 1 3 3 THR CB C 3 67.067 67.067 69.299 -2.232 25783 6 1 1 . 1 1 3 3 THR H H 3 7.697 7.697 7.811 -0.114 25783 7 1 1 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.260 -0.097 25783 8 1 1 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.884 -2.665 25783 9 1 1 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.097 -3.873 25783 10 1 1 . 1 1 5 5 MET HA H 5 4.630 4.630 4.490 0.140 25783 11 1 1 . 1 1 5 5 MET CB C 5 31.723 31.723 32.649 -0.926 25783 12 1 1 . 1 1 5 5 MET H H 5 7.527 7.527 7.500 0.027 25783 13 1 1 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.833 0.009 25783 14 1 1 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.495 -1.218 25783 15 1 1 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.354 -2.073 25783 16 1 1 . 1 1 6 6 VAL H H 6 8.442 8.442 8.670 -0.228 25783 17 1 1 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.728 -2.445 25783 18 1 1 . 1 1 7 7 GLY H H 7 8.267 8.267 7.635 0.632 25783 19 1 1 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.341 -0.255 25783 20 1 1 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.382 -3.248 25783 21 1 1 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.701 -2.743 25783 22 1 1 . 1 1 8 8 LEU H H 8 6.472 6.472 8.001 -1.529 25783 23 1 1 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.960 -0.290 25783 24 1 1 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.201 -3.502 25783 25 1 1 . 1 1 9 9 ASP H H 9 8.401 8.401 8.231 0.170 25783 26 1 1 . 1 1 10 10 SER HA H 10 4.254 4.254 4.210 0.044 25783 27 1 1 . 1 1 10 10 SER CA C 10 57.056 57.056 60.127 -3.071 25783 28 1 1 . 1 1 10 10 SER CB C 10 60.570 60.570 63.637 -3.067 25783 29 1 1 . 1 1 10 10 SER H H 10 9.124 9.124 9.307 -0.183 25783 30 1 1 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.274 -0.190 25783 31 1 1 . 1 1 11 11 VAL CA C 11 61.750 61.750 63.241 -1.491 25783 32 1 1 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.724 -3.156 25783 33 1 1 . 1 1 11 11 VAL H H 11 8.901 8.901 8.510 0.391 25783 34 1 1 . 1 1 12 12 SER HA H 12 4.436 4.436 4.608 -0.172 25783 35 1 1 . 1 1 12 12 SER CA C 12 55.999 55.999 58.523 -2.523 25783 36 1 1 . 1 1 12 12 SER CB C 12 61.279 61.279 65.252 -3.973 25783 37 1 1 . 1 1 12 12 SER H H 12 7.699 7.699 8.454 -0.755 25783 38 1 1 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.759 -2.456 25783 39 1 1 . 1 1 13 13 GLY H H 13 8.537 8.537 8.007 0.530 25783 40 1 1 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.220 0.041 25783 41 1 1 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.499 -3.455 25783 42 1 1 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.310 -2.505 25783 43 1 1 . 1 1 14 14 GLN H H 14 8.150 8.150 8.537 -0.387 25783 44 1 1 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.979 -0.045 25783 45 1 1 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.030 -3.660 25783 46 1 1 . 1 1 15 15 TYR H H 15 8.232 8.232 7.345 0.887 25783 47 1 1 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.978 -0.781 25783 48 1 1 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.947 -3.483 25783 49 1 1 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.071 -2.043 25783 50 1 1 . 1 1 16 16 TRP H H 16 8.641 8.641 8.903 -0.262 25783 51 1 1 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.581 -0.286 25783 52 1 1 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.673 -2.945 25783 53 1 1 . 1 1 17 17 ASP CB C 17 37.014 37.014 41.494 -4.480 25783 54 1 1 . 1 1 17 17 ASP H H 17 7.381 7.381 8.715 -1.334 25783 55 1 1 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.568 -1.147 25783 56 1 1 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.373 -1.830 25783 57 1 1 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.828 -2.361 25783 58 1 1 . 1 1 18 18 GLN H H 18 7.690 7.690 8.313 -0.623 25783 59 1 1 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.658 -0.183 25783 60 1 1 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.039 -3.904 25783 61 1 1 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.410 -3.946 25783 62 1 1 . 1 1 19 19 HIS H H 19 8.232 8.232 8.058 0.174 25783 63 1 1 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.590 -0.169 25783 64 1 1 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.627 -2.709 25783 65 1 1 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.854 -3.641 25783 66 1 1 . 1 1 20 20 ALA H H 20 8.285 8.285 8.578 -0.293 25783 67 1 1 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.584 -0.293 25783 68 1 1 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.526 -2.158 25783 69 1 1 . 1 1 21 21 PRO CB C 21 29.244 29.244 30.028 -0.784 25783 70 1 1 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.474 -0.330 25783 71 1 1 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.025 -2.698 25783 72 1 1 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.441 -2.829 25783 73 1 1 . 1 1 22 22 LEU H H 22 8.178 8.178 8.025 0.153 25783 74 1 1 . 1 1 23 23 ALA HA H 23 4.200 4.200 5.020 -0.820 25783 75 1 1 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.582 -2.103 25783 76 1 1 . 1 1 23 23 ALA CB C 23 16.576 16.576 21.031 -4.455 25783 77 1 1 . 1 1 23 23 ALA H H 23 8.121 8.121 8.775 -0.654 25783 78 1 2 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.575 0.180 25783 79 1 2 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.793 -5.272 25783 80 1 2 . 1 1 3 3 THR HA H 3 4.661 4.661 4.291 0.370 25783 81 1 2 . 1 1 3 3 THR CA C 3 58.119 58.119 60.259 -2.140 25783 82 1 2 . 1 1 3 3 THR CB C 3 67.067 67.067 69.370 -2.303 25783 83 1 2 . 1 1 3 3 THR H H 3 7.697 7.697 7.649 0.048 25783 84 1 2 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.327 -0.164 25783 85 1 2 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.083 -2.864 25783 86 1 2 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.004 -3.780 25783 87 1 2 . 1 1 5 5 MET HA H 5 4.630 4.630 4.536 0.094 25783 88 1 2 . 1 1 5 5 MET CB C 5 31.723 31.723 32.141 -0.418 25783 89 1 2 . 1 1 5 5 MET H H 5 7.527 7.527 7.480 0.047 25783 90 1 2 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.787 0.055 25783 91 1 2 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.282 -2.006 25783 92 1 2 . 1 1 6 6 VAL CB C 6 29.281 29.281 30.502 -1.221 25783 93 1 2 . 1 1 6 6 VAL H H 6 8.442 8.442 8.522 -0.080 25783 94 1 2 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.632 -3.349 25783 95 1 2 . 1 1 7 7 GLY H H 7 8.267 8.267 8.537 -0.270 25783 96 1 2 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.936 -0.850 25783 97 1 2 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.072 -0.938 25783 98 1 2 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.815 -4.857 25783 99 1 2 . 1 1 8 8 LEU H H 8 6.472 6.472 7.673 -1.201 25783 100 1 2 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.788 -0.118 25783 101 1 2 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.543 -3.844 25783 102 1 2 . 1 1 9 9 ASP H H 9 8.401 8.401 8.607 -0.206 25783 103 1 2 . 1 1 10 10 SER HA H 10 4.254 4.254 4.312 -0.058 25783 104 1 2 . 1 1 10 10 SER CA C 10 57.056 57.056 61.111 -4.055 25783 105 1 2 . 1 1 10 10 SER CB C 10 60.570 60.570 63.715 -3.144 25783 106 1 2 . 1 1 10 10 SER H H 10 9.124 9.124 8.772 0.352 25783 107 1 2 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.080 0.004 25783 108 1 2 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.651 -0.901 25783 109 1 2 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.329 -2.761 25783 110 1 2 . 1 1 11 11 VAL H H 11 8.901 8.901 7.808 1.093 25783 111 1 2 . 1 1 12 12 SER HA H 12 4.436 4.436 4.601 -0.165 25783 112 1 2 . 1 1 12 12 SER CA C 12 55.999 55.999 57.686 -1.687 25783 113 1 2 . 1 1 12 12 SER CB C 12 61.279 61.279 64.502 -3.223 25783 114 1 2 . 1 1 12 12 SER H H 12 7.699 7.699 8.065 -0.366 25783 115 1 2 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.825 -2.522 25783 116 1 2 . 1 1 13 13 GLY H H 13 8.537 8.537 8.368 0.169 25783 117 1 2 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.450 -0.189 25783 118 1 2 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.082 -2.038 25783 119 1 2 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.835 -3.030 25783 120 1 2 . 1 1 14 14 GLN H H 14 8.150 8.150 8.723 -0.573 25783 121 1 2 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.248 -0.314 25783 122 1 2 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.605 -4.234 25783 123 1 2 . 1 1 15 15 TYR H H 15 8.232 8.232 7.612 0.620 25783 124 1 2 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.879 -0.682 25783 125 1 2 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.976 -4.512 25783 126 1 2 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.333 -2.305 25783 127 1 2 . 1 1 16 16 TRP H H 16 8.641 8.641 9.143 -0.502 25783 128 1 2 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.853 -0.558 25783 129 1 2 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.025 -2.297 25783 130 1 2 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.190 -6.176 25783 131 1 2 . 1 1 17 17 ASP H H 17 7.381 7.381 8.751 -1.370 25783 132 1 2 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.347 -0.926 25783 133 1 2 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.332 -1.789 25783 134 1 2 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.859 -2.392 25783 135 1 2 . 1 1 18 18 GLN H H 18 7.690 7.690 8.454 -0.764 25783 136 1 2 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.518 -0.043 25783 137 1 2 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.249 -4.114 25783 138 1 2 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.278 -3.814 25783 139 1 2 . 1 1 19 19 HIS H H 19 8.232 8.232 7.323 0.909 25783 140 1 2 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.212 0.209 25783 141 1 2 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.515 -3.597 25783 142 1 2 . 1 1 20 20 ALA CB C 20 15.213 15.213 17.341 -2.128 25783 143 1 2 . 1 1 20 20 ALA H H 20 8.285 8.285 8.922 -0.637 25783 144 1 2 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.556 -0.265 25783 145 1 2 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.807 -2.439 25783 146 1 2 . 1 1 21 21 PRO CB C 21 29.244 29.244 29.844 -0.600 25783 147 1 2 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.415 -0.271 25783 148 1 2 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.036 -2.709 25783 149 1 2 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.465 -2.853 25783 150 1 2 . 1 1 22 22 LEU H H 22 8.178 8.178 7.698 0.480 25783 151 1 2 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.900 -0.700 25783 152 1 2 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.830 -2.351 25783 153 1 2 . 1 1 23 23 ALA CB C 23 16.576 16.576 21.069 -4.493 25783 154 1 2 . 1 1 23 23 ALA H H 23 8.121 8.121 8.778 -0.657 25783 155 1 3 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.700 0.055 25783 156 1 3 . 1 1 2 2 PRO CB C 2 27.521 27.521 30.263 -2.742 25783 157 1 3 . 1 1 3 3 THR HA H 3 4.661 4.661 4.729 -0.068 25783 158 1 3 . 1 1 3 3 THR CA C 3 58.119 58.119 57.869 0.250 25783 159 1 3 . 1 1 3 3 THR CB C 3 67.067 67.067 70.172 -3.105 25783 160 1 3 . 1 1 3 3 THR H H 3 7.697 7.697 7.622 0.075 25783 161 1 3 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.111 0.052 25783 162 1 3 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.660 -3.441 25783 163 1 3 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.142 -3.917 25783 164 1 3 . 1 1 5 5 MET HA H 5 4.630 4.630 4.412 0.218 25783 165 1 3 . 1 1 5 5 MET CB C 5 31.723 31.723 31.729 -0.006 25783 166 1 3 . 1 1 5 5 MET H H 5 7.527 7.527 7.573 -0.046 25783 167 1 3 . 1 1 6 6 VAL HA H 6 3.842 3.842 4.329 -0.487 25783 168 1 3 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.405 -1.128 25783 169 1 3 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.182 -2.901 25783 170 1 3 . 1 1 6 6 VAL H H 6 8.442 8.442 8.071 0.371 25783 171 1 3 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.870 -2.587 25783 172 1 3 . 1 1 7 7 GLY H H 7 8.267 8.267 8.237 0.030 25783 173 1 3 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.738 -0.652 25783 174 1 3 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.525 -1.391 25783 175 1 3 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.053 -4.095 25783 176 1 3 . 1 1 8 8 LEU H H 8 6.472 6.472 8.020 -1.548 25783 177 1 3 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.805 -0.135 25783 178 1 3 . 1 1 9 9 ASP CB C 9 39.699 39.699 44.176 -4.477 25783 179 1 3 . 1 1 9 9 ASP H H 9 8.401 8.401 8.316 0.085 25783 180 1 3 . 1 1 10 10 SER HA H 10 4.254 4.254 4.259 -0.005 25783 181 1 3 . 1 1 10 10 SER CA C 10 57.056 57.056 60.667 -3.611 25783 182 1 3 . 1 1 10 10 SER CB C 10 60.570 60.570 63.617 -3.046 25783 183 1 3 . 1 1 10 10 SER H H 10 9.124 9.124 8.585 0.539 25783 184 1 3 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.220 -0.136 25783 185 1 3 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.498 -0.748 25783 186 1 3 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.319 -2.751 25783 187 1 3 . 1 1 11 11 VAL H H 11 8.901 8.901 8.200 0.701 25783 188 1 3 . 1 1 12 12 SER HA H 12 4.436 4.436 4.587 -0.151 25783 189 1 3 . 1 1 12 12 SER CA C 12 55.999 55.999 57.770 -1.770 25783 190 1 3 . 1 1 12 12 SER CB C 12 61.279 61.279 64.995 -3.716 25783 191 1 3 . 1 1 12 12 SER H H 12 7.699 7.699 7.869 -0.170 25783 192 1 3 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.510 -2.207 25783 193 1 3 . 1 1 13 13 GLY H H 13 8.537 8.537 8.310 0.227 25783 194 1 3 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.076 0.185 25783 195 1 3 . 1 1 14 14 GLN CA C 14 53.044 53.044 57.236 -4.192 25783 196 1 3 . 1 1 14 14 GLN CB C 14 26.805 26.805 28.756 -1.951 25783 197 1 3 . 1 1 14 14 GLN H H 14 8.150 8.150 8.525 -0.375 25783 198 1 3 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.200 -0.266 25783 199 1 3 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.497 -4.127 25783 200 1 3 . 1 1 15 15 TYR H H 15 8.232 8.232 7.453 0.779 25783 201 1 3 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.903 -0.706 25783 202 1 3 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.005 -3.541 25783 203 1 3 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.822 -1.794 25783 204 1 3 . 1 1 16 16 TRP H H 16 8.641 8.641 9.126 -0.485 25783 205 1 3 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.652 -0.357 25783 206 1 3 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.675 -2.947 25783 207 1 3 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.306 -5.292 25783 208 1 3 . 1 1 17 17 ASP H H 17 7.381 7.381 8.671 -1.290 25783 209 1 3 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.552 -1.131 25783 210 1 3 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.911 -1.368 25783 211 1 3 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.898 -2.430 25783 212 1 3 . 1 1 18 18 GLN H H 18 7.690 7.690 8.497 -0.807 25783 213 1 3 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.440 0.035 25783 214 1 3 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.453 -5.318 25783 215 1 3 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.670 -4.206 25783 216 1 3 . 1 1 19 19 HIS H H 19 8.232 8.232 8.222 0.010 25783 217 1 3 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.014 0.407 25783 218 1 3 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.908 -3.990 25783 219 1 3 . 1 1 20 20 ALA CB C 20 15.213 15.213 17.245 -2.032 25783 220 1 3 . 1 1 20 20 ALA H H 20 8.285 8.285 8.120 0.165 25783 221 1 3 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.454 -0.163 25783 222 1 3 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.760 -2.392 25783 223 1 3 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.623 -3.379 25783 224 1 3 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.850 -0.706 25783 225 1 3 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.151 -1.824 25783 226 1 3 . 1 1 22 22 LEU CB C 22 39.612 39.612 43.759 -4.147 25783 227 1 3 . 1 1 22 22 LEU H H 22 8.178 8.178 7.974 0.204 25783 228 1 3 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.638 -0.438 25783 229 1 3 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.045 -2.566 25783 230 1 3 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.590 -2.014 25783 231 1 3 . 1 1 23 23 ALA H H 23 8.121 8.121 8.777 -0.656 25783 232 1 4 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.471 0.284 25783 233 1 4 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.181 -4.660 25783 234 1 4 . 1 1 3 3 THR HA H 3 4.661 4.661 4.490 0.171 25783 235 1 4 . 1 1 3 3 THR CA C 3 58.119 58.119 59.977 -1.859 25783 236 1 4 . 1 1 3 3 THR CB C 3 67.067 67.067 69.178 -2.111 25783 237 1 4 . 1 1 3 3 THR H H 3 7.697 7.697 7.685 0.012 25783 238 1 4 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.474 -0.311 25783 239 1 4 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.993 -2.774 25783 240 1 4 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.925 -3.701 25783 241 1 4 . 1 1 5 5 MET HA H 5 4.630 4.630 4.521 0.109 25783 242 1 4 . 1 1 5 5 MET CB C 5 31.723 31.723 30.891 0.832 25783 243 1 4 . 1 1 5 5 MET H H 5 7.527 7.527 7.582 -0.055 25783 244 1 4 . 1 1 6 6 VAL HA H 6 3.842 3.842 4.058 -0.216 25783 245 1 4 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.330 -1.053 25783 246 1 4 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.982 -2.700 25783 247 1 4 . 1 1 6 6 VAL H H 6 8.442 8.442 8.494 -0.052 25783 248 1 4 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.115 -2.832 25783 249 1 4 . 1 1 7 7 GLY H H 7 8.267 8.267 8.093 0.174 25783 250 1 4 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.619 -0.533 25783 251 1 4 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.788 -1.654 25783 252 1 4 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.896 -4.938 25783 253 1 4 . 1 1 8 8 LEU H H 8 6.472 6.472 8.039 -1.567 25783 254 1 4 . 1 1 9 9 ASP HA H 9 4.670 4.670 5.056 -0.386 25783 255 1 4 . 1 1 9 9 ASP CB C 9 39.699 39.699 44.307 -4.608 25783 256 1 4 . 1 1 9 9 ASP H H 9 8.401 8.401 8.335 0.066 25783 257 1 4 . 1 1 10 10 SER HA H 10 4.254 4.254 4.440 -0.186 25783 258 1 4 . 1 1 10 10 SER CA C 10 57.056 57.056 60.089 -3.033 25783 259 1 4 . 1 1 10 10 SER CB C 10 60.570 60.570 64.204 -3.635 25783 260 1 4 . 1 1 10 10 SER H H 10 9.124 9.124 9.092 0.032 25783 261 1 4 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.248 -0.164 25783 262 1 4 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.655 -0.905 25783 263 1 4 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.345 -2.777 25783 264 1 4 . 1 1 11 11 VAL H H 11 8.901 8.901 8.323 0.578 25783 265 1 4 . 1 1 12 12 SER HA H 12 4.436 4.436 4.603 -0.167 25783 266 1 4 . 1 1 12 12 SER CA C 12 55.999 55.999 58.055 -2.056 25783 267 1 4 . 1 1 12 12 SER CB C 12 61.279 61.279 65.448 -4.169 25783 268 1 4 . 1 1 12 12 SER H H 12 7.699 7.699 8.336 -0.637 25783 269 1 4 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.757 -2.454 25783 270 1 4 . 1 1 13 13 GLY H H 13 8.537 8.537 8.567 -0.030 25783 271 1 4 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.342 -0.081 25783 272 1 4 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.338 -3.294 25783 273 1 4 . 1 1 14 14 GLN CB C 14 26.805 26.805 27.469 -0.664 25783 274 1 4 . 1 1 14 14 GLN H H 14 8.150 8.150 8.651 -0.501 25783 275 1 4 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.112 -0.178 25783 276 1 4 . 1 1 15 15 TYR CB C 15 37.370 37.370 42.314 -4.944 25783 277 1 4 . 1 1 15 15 TYR H H 15 8.232 8.232 8.163 0.069 25783 278 1 4 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.735 -0.538 25783 279 1 4 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.446 -3.982 25783 280 1 4 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.964 -1.936 25783 281 1 4 . 1 1 16 16 TRP H H 16 8.641 8.641 9.221 -0.580 25783 282 1 4 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.833 -0.538 25783 283 1 4 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.489 -1.761 25783 284 1 4 . 1 1 17 17 ASP CB C 17 37.014 37.014 39.497 -2.483 25783 285 1 4 . 1 1 17 17 ASP H H 17 7.381 7.381 8.814 -1.433 25783 286 1 4 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.400 -0.979 25783 287 1 4 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.817 -1.274 25783 288 1 4 . 1 1 18 18 GLN CB C 18 26.467 26.467 31.047 -4.580 25783 289 1 4 . 1 1 18 18 GLN H H 18 7.690 7.690 7.946 -0.256 25783 290 1 4 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.191 0.284 25783 291 1 4 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.888 -4.753 25783 292 1 4 . 1 1 19 19 HIS CB C 19 26.464 26.464 26.847 -0.383 25783 293 1 4 . 1 1 19 19 HIS H H 19 8.232 8.232 8.320 -0.088 25783 294 1 4 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.403 0.018 25783 295 1 4 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.047 -3.129 25783 296 1 4 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.979 -3.766 25783 297 1 4 . 1 1 20 20 ALA H H 20 8.285 8.285 8.056 0.229 25783 298 1 4 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.324 -0.033 25783 299 1 4 . 1 1 21 21 PRO CA C 21 60.368 60.368 64.344 -3.976 25783 300 1 4 . 1 1 21 21 PRO CB C 21 29.244 29.244 31.367 -2.123 25783 301 1 4 . 1 1 22 22 LEU HA H 22 4.144 4.144 3.978 0.166 25783 302 1 4 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.791 -3.465 25783 303 1 4 . 1 1 22 22 LEU CB C 22 39.612 39.612 40.532 -0.920 25783 304 1 4 . 1 1 22 22 LEU H H 22 8.178 8.178 8.552 -0.374 25783 305 1 4 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.676 -0.476 25783 306 1 4 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.567 -2.088 25783 307 1 4 . 1 1 23 23 ALA CB C 23 16.576 16.576 22.297 -5.721 25783 308 1 4 . 1 1 23 23 ALA H H 23 8.121 8.121 7.873 0.248 25783 309 1 5 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.580 0.175 25783 310 1 5 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.158 -4.637 25783 311 1 5 . 1 1 3 3 THR HA H 3 4.661 4.661 4.550 0.111 25783 312 1 5 . 1 1 3 3 THR CA C 3 58.119 58.119 59.258 -1.139 25783 313 1 5 . 1 1 3 3 THR CB C 3 67.067 67.067 69.355 -2.288 25783 314 1 5 . 1 1 3 3 THR H H 3 7.697 7.697 7.827 -0.130 25783 315 1 5 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.538 -0.375 25783 316 1 5 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.632 -3.413 25783 317 1 5 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.920 -3.696 25783 318 1 5 . 1 1 5 5 MET HA H 5 4.630 4.630 4.595 0.035 25783 319 1 5 . 1 1 5 5 MET CB C 5 31.723 31.723 32.444 -0.721 25783 320 1 5 . 1 1 5 5 MET H H 5 7.527 7.527 7.633 -0.106 25783 321 1 5 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.114 0.728 25783 322 1 5 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.056 -1.779 25783 323 1 5 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.830 -2.549 25783 324 1 5 . 1 1 6 6 VAL H H 6 8.442 8.442 8.389 0.053 25783 325 1 5 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.319 -2.035 25783 326 1 5 . 1 1 7 7 GLY H H 7 8.267 8.267 7.393 0.874 25783 327 1 5 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.119 -0.033 25783 328 1 5 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.883 -2.749 25783 329 1 5 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.090 -2.132 25783 330 1 5 . 1 1 8 8 LEU H H 8 6.472 6.472 8.107 -1.635 25783 331 1 5 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.551 0.119 25783 332 1 5 . 1 1 9 9 ASP CB C 9 39.699 39.699 41.987 -2.288 25783 333 1 5 . 1 1 9 9 ASP H H 9 8.401 8.401 8.619 -0.218 25783 334 1 5 . 1 1 10 10 SER HA H 10 4.254 4.254 4.430 -0.176 25783 335 1 5 . 1 1 10 10 SER CA C 10 57.056 57.056 60.627 -3.571 25783 336 1 5 . 1 1 10 10 SER CB C 10 60.570 60.570 63.846 -3.276 25783 337 1 5 . 1 1 10 10 SER H H 10 9.124 9.124 8.566 0.558 25783 338 1 5 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.196 -0.112 25783 339 1 5 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.689 -0.939 25783 340 1 5 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.469 -2.901 25783 341 1 5 . 1 1 11 11 VAL H H 11 8.901 8.901 8.039 0.862 25783 342 1 5 . 1 1 12 12 SER HA H 12 4.436 4.436 4.659 -0.223 25783 343 1 5 . 1 1 12 12 SER CA C 12 55.999 55.999 57.755 -1.756 25783 344 1 5 . 1 1 12 12 SER CB C 12 61.279 61.279 65.984 -4.705 25783 345 1 5 . 1 1 12 12 SER H H 12 7.699 7.699 7.956 -0.257 25783 346 1 5 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.594 -2.291 25783 347 1 5 . 1 1 13 13 GLY H H 13 8.537 8.537 8.216 0.321 25783 348 1 5 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.464 -0.203 25783 349 1 5 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.525 -2.481 25783 350 1 5 . 1 1 14 14 GLN CB C 14 26.805 26.805 28.930 -2.125 25783 351 1 5 . 1 1 14 14 GLN H H 14 8.150 8.150 8.641 -0.491 25783 352 1 5 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.906 0.028 25783 353 1 5 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.945 -4.575 25783 354 1 5 . 1 1 15 15 TYR H H 15 8.232 8.232 7.572 0.660 25783 355 1 5 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.773 -0.576 25783 356 1 5 . 1 1 16 16 TRP CA C 16 54.464 54.464 59.516 -5.052 25783 357 1 5 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.254 -2.226 25783 358 1 5 . 1 1 16 16 TRP H H 16 8.641 8.641 9.240 -0.599 25783 359 1 5 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.845 -0.550 25783 360 1 5 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.830 -3.102 25783 361 1 5 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.253 -6.239 25783 362 1 5 . 1 1 17 17 ASP H H 17 7.381 7.381 8.751 -1.370 25783 363 1 5 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.555 -1.134 25783 364 1 5 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.010 -1.467 25783 365 1 5 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.047 -3.580 25783 366 1 5 . 1 1 18 18 GLN H H 18 7.690 7.690 8.659 -0.969 25783 367 1 5 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.291 0.184 25783 368 1 5 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.623 -5.487 25783 369 1 5 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.677 -3.213 25783 370 1 5 . 1 1 19 19 HIS H H 19 8.232 8.232 8.709 -0.476 25783 371 1 5 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.242 0.179 25783 372 1 5 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.266 -3.348 25783 373 1 5 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.536 -3.323 25783 374 1 5 . 1 1 20 20 ALA H H 20 8.285 8.285 7.422 0.863 25783 375 1 5 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.516 -0.225 25783 376 1 5 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.793 -2.425 25783 377 1 5 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.236 -2.992 25783 378 1 5 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.676 -0.532 25783 379 1 5 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.326 -1.999 25783 380 1 5 . 1 1 22 22 LEU CB C 22 39.612 39.612 43.298 -3.686 25783 381 1 5 . 1 1 22 22 LEU H H 22 8.178 8.178 7.683 0.495 25783 382 1 5 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.152 0.048 25783 383 1 5 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.297 -2.818 25783 384 1 5 . 1 1 23 23 ALA CB C 23 16.576 16.576 17.475 -0.899 25783 385 1 5 . 1 1 23 23 ALA H H 23 8.121 8.121 8.271 -0.150 25783 386 1 6 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.554 0.201 25783 387 1 6 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.098 -4.577 25783 388 1 6 . 1 1 3 3 THR HA H 3 4.661 4.661 4.556 0.105 25783 389 1 6 . 1 1 3 3 THR CA C 3 58.119 58.119 59.450 -1.331 25783 390 1 6 . 1 1 3 3 THR CB C 3 67.067 67.067 69.130 -2.063 25783 391 1 6 . 1 1 3 3 THR H H 3 7.697 7.697 8.011 -0.314 25783 392 1 6 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.691 -0.528 25783 393 1 6 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.784 -2.565 25783 394 1 6 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.779 -3.555 25783 395 1 6 . 1 1 5 5 MET HA H 5 4.630 4.630 4.372 0.258 25783 396 1 6 . 1 1 5 5 MET CB C 5 31.723 31.723 32.072 -0.349 25783 397 1 6 . 1 1 5 5 MET H H 5 7.527 7.527 7.762 -0.235 25783 398 1 6 . 1 1 6 6 VAL HA H 6 3.842 3.842 2.566 1.276 25783 399 1 6 . 1 1 6 6 VAL CA C 6 61.277 61.277 61.352 -0.075 25783 400 1 6 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.017 -2.736 25783 401 1 6 . 1 1 6 6 VAL H H 6 8.442 8.442 8.455 -0.013 25783 402 1 6 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.906 -2.623 25783 403 1 6 . 1 1 7 7 GLY H H 7 8.267 8.267 7.598 0.669 25783 404 1 6 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.597 -0.511 25783 405 1 6 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.943 -1.809 25783 406 1 6 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.908 -2.950 25783 407 1 6 . 1 1 8 8 LEU H H 8 6.472 6.472 8.012 -1.540 25783 408 1 6 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.921 -0.251 25783 409 1 6 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.524 -2.825 25783 410 1 6 . 1 1 9 9 ASP H H 9 8.401 8.401 8.502 -0.101 25783 411 1 6 . 1 1 10 10 SER HA H 10 4.254 4.254 4.642 -0.388 25783 412 1 6 . 1 1 10 10 SER CA C 10 57.056 57.056 59.995 -2.939 25783 413 1 6 . 1 1 10 10 SER CB C 10 60.570 60.570 64.953 -4.383 25783 414 1 6 . 1 1 10 10 SER H H 10 9.124 9.124 8.783 0.341 25783 415 1 6 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.182 -0.098 25783 416 1 6 . 1 1 11 11 VAL CA C 11 61.750 61.750 63.197 -1.447 25783 417 1 6 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.226 -2.658 25783 418 1 6 . 1 1 11 11 VAL H H 11 8.901 8.901 8.033 0.868 25783 419 1 6 . 1 1 12 12 SER HA H 12 4.436 4.436 4.614 -0.178 25783 420 1 6 . 1 1 12 12 SER CA C 12 55.999 55.999 57.817 -1.818 25783 421 1 6 . 1 1 12 12 SER CB C 12 61.279 61.279 64.709 -3.430 25783 422 1 6 . 1 1 12 12 SER H H 12 7.699 7.699 7.913 -0.214 25783 423 1 6 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.089 -2.786 25783 424 1 6 . 1 1 13 13 GLY H H 13 8.537 8.537 8.432 0.105 25783 425 1 6 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.554 -0.293 25783 426 1 6 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.246 -3.202 25783 427 1 6 . 1 1 14 14 GLN CB C 14 26.805 26.805 31.306 -4.501 25783 428 1 6 . 1 1 14 14 GLN H H 14 8.150 8.150 8.569 -0.419 25783 429 1 6 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.887 0.047 25783 430 1 6 . 1 1 15 15 TYR CB C 15 37.370 37.370 40.708 -3.338 25783 431 1 6 . 1 1 15 15 TYR H H 15 8.232 8.232 7.632 0.600 25783 432 1 6 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.827 -0.630 25783 433 1 6 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.957 -3.493 25783 434 1 6 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.625 -1.597 25783 435 1 6 . 1 1 16 16 TRP H H 16 8.641 8.641 8.988 -0.347 25783 436 1 6 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.676 -0.381 25783 437 1 6 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.434 -2.706 25783 438 1 6 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.614 -6.600 25783 439 1 6 . 1 1 17 17 ASP H H 17 7.381 7.381 8.706 -1.325 25783 440 1 6 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.601 -1.180 25783 441 1 6 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.914 -1.371 25783 442 1 6 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.649 -3.182 25783 443 1 6 . 1 1 18 18 GLN H H 18 7.690 7.690 8.147 -0.457 25783 444 1 6 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.733 -0.258 25783 445 1 6 . 1 1 19 19 HIS CA C 19 52.135 52.135 55.388 -3.253 25783 446 1 6 . 1 1 19 19 HIS CB C 19 26.464 26.464 31.904 -5.440 25783 447 1 6 . 1 1 19 19 HIS H H 19 8.232 8.232 8.325 -0.093 25783 448 1 6 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.543 -0.122 25783 449 1 6 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.981 -3.063 25783 450 1 6 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.305 -4.092 25783 451 1 6 . 1 1 20 20 ALA H H 20 8.285 8.285 8.820 -0.535 25783 452 1 6 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.577 -0.286 25783 453 1 6 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.678 -2.310 25783 454 1 6 . 1 1 21 21 PRO CB C 21 29.244 29.244 30.061 -0.817 25783 455 1 6 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.271 -0.127 25783 456 1 6 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.098 -2.771 25783 457 1 6 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.629 -2.017 25783 458 1 6 . 1 1 22 22 LEU H H 22 8.178 8.178 7.818 0.360 25783 459 1 6 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.069 0.131 25783 460 1 6 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.598 -3.119 25783 461 1 6 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.074 -2.498 25783 462 1 6 . 1 1 23 23 ALA H H 23 8.121 8.121 8.255 -0.134 25783 463 1 7 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.512 0.243 25783 464 1 7 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.820 -4.299 25783 465 1 7 . 1 1 3 3 THR HA H 3 4.661 4.661 4.443 0.218 25783 466 1 7 . 1 1 3 3 THR CA C 3 58.119 58.119 58.919 -0.800 25783 467 1 7 . 1 1 3 3 THR CB C 3 67.067 67.067 69.350 -2.283 25783 468 1 7 . 1 1 3 3 THR H H 3 7.697 7.697 7.632 0.065 25783 469 1 7 . 1 1 4 4 PRO HA H 4 4.163 4.163 3.867 0.296 25783 470 1 7 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.553 -2.333 25783 471 1 7 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.791 -3.567 25783 472 1 7 . 1 1 5 5 MET HA H 5 4.630 4.630 4.191 0.439 25783 473 1 7 . 1 1 5 5 MET CB C 5 31.723 31.723 31.085 0.638 25783 474 1 7 . 1 1 5 5 MET H H 5 7.527 7.527 7.388 0.139 25783 475 1 7 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.909 -0.067 25783 476 1 7 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.992 -1.715 25783 477 1 7 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.570 -2.289 25783 478 1 7 . 1 1 6 6 VAL H H 6 8.442 8.442 8.039 0.403 25783 479 1 7 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.934 -2.651 25783 480 1 7 . 1 1 7 7 GLY H H 7 8.267 8.267 8.700 -0.433 25783 481 1 7 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.147 -0.061 25783 482 1 7 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.989 -3.855 25783 483 1 7 . 1 1 8 8 LEU CB C 8 39.958 39.958 41.752 -1.794 25783 484 1 7 . 1 1 8 8 LEU H H 8 6.472 6.472 8.171 -1.699 25783 485 1 7 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.927 -0.257 25783 486 1 7 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.260 -2.561 25783 487 1 7 . 1 1 9 9 ASP H H 9 8.401 8.401 8.012 0.389 25783 488 1 7 . 1 1 10 10 SER HA H 10 4.254 4.254 4.182 0.072 25783 489 1 7 . 1 1 10 10 SER CA C 10 57.056 57.056 61.044 -3.988 25783 490 1 7 . 1 1 10 10 SER CB C 10 60.570 60.570 63.365 -2.795 25783 491 1 7 . 1 1 10 10 SER H H 10 9.124 9.124 8.654 0.470 25783 492 1 7 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.178 -0.094 25783 493 1 7 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.382 -0.632 25783 494 1 7 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.539 -2.971 25783 495 1 7 . 1 1 11 11 VAL H H 11 8.901 8.901 8.041 0.860 25783 496 1 7 . 1 1 12 12 SER HA H 12 4.436 4.436 4.684 -0.248 25783 497 1 7 . 1 1 12 12 SER CA C 12 55.999 55.999 58.028 -2.029 25783 498 1 7 . 1 1 12 12 SER CB C 12 61.279 61.279 65.386 -4.107 25783 499 1 7 . 1 1 12 12 SER H H 12 7.699 7.699 8.076 -0.377 25783 500 1 7 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.901 -2.598 25783 501 1 7 . 1 1 13 13 GLY H H 13 8.537 8.537 8.161 0.376 25783 502 1 7 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.130 0.131 25783 503 1 7 . 1 1 14 14 GLN CA C 14 53.044 53.044 57.134 -4.090 25783 504 1 7 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.237 -2.432 25783 505 1 7 . 1 1 14 14 GLN H H 14 8.150 8.150 8.840 -0.690 25783 506 1 7 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.068 -0.134 25783 507 1 7 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.211 -3.841 25783 508 1 7 . 1 1 15 15 TYR H H 15 8.232 8.232 7.514 0.718 25783 509 1 7 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.795 -0.598 25783 510 1 7 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.959 -3.495 25783 511 1 7 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.799 -1.771 25783 512 1 7 . 1 1 16 16 TRP H H 16 8.641 8.641 9.161 -0.520 25783 513 1 7 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.868 -0.573 25783 514 1 7 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.807 -2.079 25783 515 1 7 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.181 -6.167 25783 516 1 7 . 1 1 17 17 ASP H H 17 7.381 7.381 8.497 -1.116 25783 517 1 7 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.595 -1.174 25783 518 1 7 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.924 -1.381 25783 519 1 7 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.961 -3.494 25783 520 1 7 . 1 1 18 18 GLN H H 18 7.690 7.690 8.309 -0.619 25783 521 1 7 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.269 0.206 25783 522 1 7 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.384 -4.249 25783 523 1 7 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.122 -3.658 25783 524 1 7 . 1 1 19 19 HIS H H 19 8.232 8.232 8.616 -0.384 25783 525 1 7 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.412 0.009 25783 526 1 7 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.792 -2.874 25783 527 1 7 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.388 -4.175 25783 528 1 7 . 1 1 20 20 ALA H H 20 8.285 8.285 7.985 0.300 25783 529 1 7 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.557 -0.266 25783 530 1 7 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.206 -1.838 25783 531 1 7 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.102 -2.858 25783 532 1 7 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.402 -0.258 25783 533 1 7 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.784 -3.457 25783 534 1 7 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.793 -2.181 25783 535 1 7 . 1 1 22 22 LEU H H 22 8.178 8.178 8.063 0.115 25783 536 1 7 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.389 -0.189 25783 537 1 7 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.821 -2.342 25783 538 1 7 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.456 -2.880 25783 539 1 7 . 1 1 23 23 ALA H H 23 8.121 8.121 8.211 -0.090 25783 540 1 8 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.618 0.137 25783 541 1 8 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.362 -4.841 25783 542 1 8 . 1 1 3 3 THR HA H 3 4.661 4.661 4.321 0.340 25783 543 1 8 . 1 1 3 3 THR CA C 3 58.119 58.119 60.160 -2.041 25783 544 1 8 . 1 1 3 3 THR CB C 3 67.067 67.067 69.152 -2.085 25783 545 1 8 . 1 1 3 3 THR H H 3 7.697 7.697 7.626 0.071 25783 546 1 8 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.295 -0.132 25783 547 1 8 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.966 -2.747 25783 548 1 8 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.894 -3.670 25783 549 1 8 . 1 1 5 5 MET HA H 5 4.630 4.630 4.291 0.339 25783 550 1 8 . 1 1 5 5 MET CB C 5 31.723 31.723 31.952 -0.229 25783 551 1 8 . 1 1 5 5 MET H H 5 7.527 7.527 7.434 0.093 25783 552 1 8 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.442 0.400 25783 553 1 8 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.198 -0.921 25783 554 1 8 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.381 -2.100 25783 555 1 8 . 1 1 6 6 VAL H H 6 8.442 8.442 8.302 0.140 25783 556 1 8 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.163 -2.880 25783 557 1 8 . 1 1 7 7 GLY H H 7 8.267 8.267 7.904 0.363 25783 558 1 8 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.431 -0.345 25783 559 1 8 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.833 -2.699 25783 560 1 8 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.855 -2.897 25783 561 1 8 . 1 1 8 8 LEU H H 8 6.472 6.472 8.105 -1.633 25783 562 1 8 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.683 -0.013 25783 563 1 8 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.942 -3.243 25783 564 1 8 . 1 1 9 9 ASP H H 9 8.401 8.401 8.513 -0.112 25783 565 1 8 . 1 1 10 10 SER HA H 10 4.254 4.254 4.211 0.043 25783 566 1 8 . 1 1 10 10 SER CA C 10 57.056 57.056 60.496 -3.440 25783 567 1 8 . 1 1 10 10 SER CB C 10 60.570 60.570 63.564 -2.994 25783 568 1 8 . 1 1 10 10 SER H H 10 9.124 9.124 9.114 0.010 25783 569 1 8 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.156 -0.072 25783 570 1 8 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.902 -1.152 25783 571 1 8 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.359 -2.791 25783 572 1 8 . 1 1 11 11 VAL H H 11 8.901 8.901 8.593 0.308 25783 573 1 8 . 1 1 12 12 SER HA H 12 4.436 4.436 4.544 -0.108 25783 574 1 8 . 1 1 12 12 SER CA C 12 55.999 55.999 57.708 -1.709 25783 575 1 8 . 1 1 12 12 SER CB C 12 61.279 61.279 65.381 -4.102 25783 576 1 8 . 1 1 12 12 SER H H 12 7.699 7.699 7.974 -0.275 25783 577 1 8 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.997 -2.694 25783 578 1 8 . 1 1 13 13 GLY H H 13 8.537 8.537 8.480 0.057 25783 579 1 8 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.564 -0.303 25783 580 1 8 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.445 -2.401 25783 581 1 8 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.617 -3.812 25783 582 1 8 . 1 1 14 14 GLN H H 14 8.150 8.150 8.744 -0.594 25783 583 1 8 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.069 -0.135 25783 584 1 8 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.608 -4.238 25783 585 1 8 . 1 1 15 15 TYR H H 15 8.232 8.232 7.609 0.623 25783 586 1 8 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.768 -0.571 25783 587 1 8 . 1 1 16 16 TRP CA C 16 54.464 54.464 56.916 -2.452 25783 588 1 8 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.104 -2.076 25783 589 1 8 . 1 1 16 16 TRP H H 16 8.641 8.641 9.091 -0.450 25783 590 1 8 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.791 -0.496 25783 591 1 8 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.393 -2.665 25783 592 1 8 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.338 -5.324 25783 593 1 8 . 1 1 17 17 ASP H H 17 7.381 7.381 8.764 -1.383 25783 594 1 8 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.595 -1.174 25783 595 1 8 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.081 -1.538 25783 596 1 8 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.544 -3.077 25783 597 1 8 . 1 1 18 18 GLN H H 18 7.690 7.690 8.475 -0.785 25783 598 1 8 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.248 0.227 25783 599 1 8 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.183 -5.048 25783 600 1 8 . 1 1 19 19 HIS CB C 19 26.464 26.464 28.816 -2.352 25783 601 1 8 . 1 1 19 19 HIS H H 19 8.232 8.232 7.659 0.573 25783 602 1 8 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.349 0.072 25783 603 1 8 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.183 -3.265 25783 604 1 8 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.910 -3.697 25783 605 1 8 . 1 1 20 20 ALA H H 20 8.285 8.285 8.422 -0.137 25783 606 1 8 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.483 -0.192 25783 607 1 8 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.476 -2.108 25783 608 1 8 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.311 -3.067 25783 609 1 8 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.251 -0.107 25783 610 1 8 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.309 -2.982 25783 611 1 8 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.566 -1.954 25783 612 1 8 . 1 1 22 22 LEU H H 22 8.178 8.178 7.865 0.313 25783 613 1 8 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.574 -0.374 25783 614 1 8 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.904 -2.425 25783 615 1 8 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.562 -1.986 25783 616 1 8 . 1 1 23 23 ALA H H 23 8.121 8.121 8.732 -0.611 25783 617 1 9 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.472 0.283 25783 618 1 9 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.002 -4.481 25783 619 1 9 . 1 1 3 3 THR HA H 3 4.661 4.661 4.488 0.173 25783 620 1 9 . 1 1 3 3 THR CA C 3 58.119 58.119 59.194 -1.075 25783 621 1 9 . 1 1 3 3 THR CB C 3 67.067 67.067 69.618 -2.551 25783 622 1 9 . 1 1 3 3 THR H H 3 7.697 7.697 7.996 -0.299 25783 623 1 9 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.150 0.013 25783 624 1 9 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.892 -2.673 25783 625 1 9 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.893 -3.669 25783 626 1 9 . 1 1 5 5 MET HA H 5 4.630 4.630 4.550 0.080 25783 627 1 9 . 1 1 5 5 MET CB C 5 31.723 31.723 32.836 -1.113 25783 628 1 9 . 1 1 5 5 MET H H 5 7.527 7.527 7.647 -0.120 25783 629 1 9 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.840 0.002 25783 630 1 9 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.017 -1.740 25783 631 1 9 . 1 1 6 6 VAL CB C 6 29.281 29.281 30.994 -1.713 25783 632 1 9 . 1 1 6 6 VAL H H 6 8.442 8.442 8.747 -0.305 25783 633 1 9 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.829 -2.546 25783 634 1 9 . 1 1 7 7 GLY H H 7 8.267 8.267 7.689 0.578 25783 635 1 9 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.424 -0.338 25783 636 1 9 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.562 -2.428 25783 637 1 9 . 1 1 8 8 LEU CB C 8 39.958 39.958 43.032 -3.074 25783 638 1 9 . 1 1 8 8 LEU H H 8 6.472 6.472 7.848 -1.376 25783 639 1 9 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.651 0.019 25783 640 1 9 . 1 1 9 9 ASP CB C 9 39.699 39.699 41.868 -2.169 25783 641 1 9 . 1 1 9 9 ASP H H 9 8.401 8.401 8.324 0.077 25783 642 1 9 . 1 1 10 10 SER HA H 10 4.254 4.254 4.252 0.002 25783 643 1 9 . 1 1 10 10 SER CA C 10 57.056 57.056 60.877 -3.821 25783 644 1 9 . 1 1 10 10 SER CB C 10 60.570 60.570 63.613 -3.043 25783 645 1 9 . 1 1 10 10 SER H H 10 9.124 9.124 8.764 0.360 25783 646 1 9 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.170 -0.086 25783 647 1 9 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.484 -0.734 25783 648 1 9 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.451 -2.883 25783 649 1 9 . 1 1 11 11 VAL H H 11 8.901 8.901 7.718 1.183 25783 650 1 9 . 1 1 12 12 SER HA H 12 4.436 4.436 4.644 -0.208 25783 651 1 9 . 1 1 12 12 SER CA C 12 55.999 55.999 58.244 -2.245 25783 652 1 9 . 1 1 12 12 SER CB C 12 61.279 61.279 65.255 -3.976 25783 653 1 9 . 1 1 12 12 SER H H 12 7.699 7.699 8.208 -0.509 25783 654 1 9 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.941 -2.638 25783 655 1 9 . 1 1 13 13 GLY H H 13 8.537 8.537 8.417 0.120 25783 656 1 9 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.596 -0.335 25783 657 1 9 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.834 -2.790 25783 658 1 9 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.555 -3.750 25783 659 1 9 . 1 1 14 14 GLN H H 14 8.150 8.150 8.822 -0.672 25783 660 1 9 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.094 -0.160 25783 661 1 9 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.715 -4.345 25783 662 1 9 . 1 1 15 15 TYR H H 15 8.232 8.232 7.437 0.795 25783 663 1 9 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.991 -0.794 25783 664 1 9 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.069 -3.605 25783 665 1 9 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.276 -2.248 25783 666 1 9 . 1 1 16 16 TRP H H 16 8.641 8.641 9.020 -0.379 25783 667 1 9 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.760 -0.465 25783 668 1 9 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.389 -2.661 25783 669 1 9 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.602 -6.588 25783 670 1 9 . 1 1 17 17 ASP H H 17 7.381 7.381 8.765 -1.384 25783 671 1 9 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.671 -1.250 25783 672 1 9 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.931 -1.388 25783 673 1 9 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.095 -3.628 25783 674 1 9 . 1 1 18 18 GLN H H 18 7.690 7.690 8.435 -0.745 25783 675 1 9 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.636 -0.161 25783 676 1 9 . 1 1 19 19 HIS CA C 19 52.135 52.135 54.963 -2.828 25783 677 1 9 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.043 -3.579 25783 678 1 9 . 1 1 19 19 HIS H H 19 8.232 8.232 8.422 -0.190 25783 679 1 9 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.517 -0.096 25783 680 1 9 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.798 -2.881 25783 681 1 9 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.594 -4.381 25783 682 1 9 . 1 1 20 20 ALA H H 20 8.285 8.285 8.474 -0.189 25783 683 1 9 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.566 -0.275 25783 684 1 9 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.320 -1.952 25783 685 1 9 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.414 -3.170 25783 686 1 9 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.413 -0.269 25783 687 1 9 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.949 -2.622 25783 688 1 9 . 1 1 22 22 LEU CB C 22 39.612 39.612 40.383 -0.771 25783 689 1 9 . 1 1 22 22 LEU H H 22 8.178 8.178 8.415 -0.237 25783 690 1 9 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.135 0.065 25783 691 1 9 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.822 -3.343 25783 692 1 9 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.960 -2.384 25783 693 1 9 . 1 1 23 23 ALA H H 23 8.121 8.121 7.761 0.360 25783 694 1 10 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.642 0.113 25783 695 1 10 . 1 1 2 2 PRO CB C 2 27.521 27.521 29.890 -2.369 25783 696 1 10 . 1 1 3 3 THR HA H 3 4.661 4.661 4.724 -0.063 25783 697 1 10 . 1 1 3 3 THR CA C 3 58.119 58.119 57.846 0.273 25783 698 1 10 . 1 1 3 3 THR CB C 3 67.067 67.067 70.437 -3.370 25783 699 1 10 . 1 1 3 3 THR H H 3 7.697 7.697 7.543 0.154 25783 700 1 10 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.242 -0.079 25783 701 1 10 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.540 -3.321 25783 702 1 10 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.156 -3.932 25783 703 1 10 . 1 1 5 5 MET HA H 5 4.630 4.630 4.156 0.474 25783 704 1 10 . 1 1 5 5 MET CB C 5 31.723 31.723 31.166 0.557 25783 705 1 10 . 1 1 5 5 MET H H 5 7.527 7.527 7.452 0.075 25783 706 1 10 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.997 -0.155 25783 707 1 10 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.928 -1.651 25783 708 1 10 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.974 -2.693 25783 709 1 10 . 1 1 6 6 VAL H H 6 8.442 8.442 8.251 0.191 25783 710 1 10 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.479 -2.196 25783 711 1 10 . 1 1 7 7 GLY H H 7 8.267 8.267 7.806 0.461 25783 712 1 10 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.336 -0.250 25783 713 1 10 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.194 -3.061 25783 714 1 10 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.603 -2.645 25783 715 1 10 . 1 1 8 8 LEU H H 8 6.472 6.472 8.355 -1.883 25783 716 1 10 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.909 -0.239 25783 717 1 10 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.157 -3.458 25783 718 1 10 . 1 1 9 9 ASP H H 9 8.401 8.401 8.474 -0.073 25783 719 1 10 . 1 1 10 10 SER HA H 10 4.254 4.254 4.295 -0.041 25783 720 1 10 . 1 1 10 10 SER CA C 10 57.056 57.056 60.025 -2.969 25783 721 1 10 . 1 1 10 10 SER CB C 10 60.570 60.570 63.763 -3.193 25783 722 1 10 . 1 1 10 10 SER H H 10 9.124 9.124 8.726 0.398 25783 723 1 10 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.127 -0.043 25783 724 1 10 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.823 -1.073 25783 725 1 10 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.791 -3.223 25783 726 1 10 . 1 1 11 11 VAL H H 11 8.901 8.901 8.520 0.381 25783 727 1 10 . 1 1 12 12 SER HA H 12 4.436 4.436 4.495 -0.059 25783 728 1 10 . 1 1 12 12 SER CA C 12 55.999 55.999 58.023 -2.023 25783 729 1 10 . 1 1 12 12 SER CB C 12 61.279 61.279 64.449 -3.170 25783 730 1 10 . 1 1 12 12 SER H H 12 7.699 7.699 8.185 -0.486 25783 731 1 10 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.302 -2.999 25783 732 1 10 . 1 1 13 13 GLY H H 13 8.537 8.537 8.459 0.078 25783 733 1 10 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.449 -0.188 25783 734 1 10 . 1 1 14 14 GLN CA C 14 53.044 53.044 54.883 -1.839 25783 735 1 10 . 1 1 14 14 GLN CB C 14 26.805 26.805 31.777 -4.972 25783 736 1 10 . 1 1 14 14 GLN H H 14 8.150 8.150 8.149 0.001 25783 737 1 10 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.244 0.690 25783 738 1 10 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.452 -0.082 25783 739 1 10 . 1 1 15 15 TYR H H 15 8.232 8.232 8.539 -0.307 25783 740 1 10 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.812 -0.615 25783 741 1 10 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.094 -2.630 25783 742 1 10 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.638 -1.610 25783 743 1 10 . 1 1 16 16 TRP H H 16 8.641 8.641 8.730 -0.089 25783 744 1 10 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.751 -0.456 25783 745 1 10 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.331 -2.603 25783 746 1 10 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.455 -5.441 25783 747 1 10 . 1 1 17 17 ASP H H 17 7.381 7.381 8.523 -1.142 25783 748 1 10 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.489 -1.068 25783 749 1 10 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.271 -1.728 25783 750 1 10 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.246 -3.779 25783 751 1 10 . 1 1 18 18 GLN H H 18 7.690 7.690 8.750 -1.060 25783 752 1 10 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.625 -0.150 25783 753 1 10 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.202 -5.066 25783 754 1 10 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.944 -4.480 25783 755 1 10 . 1 1 19 19 HIS H H 19 8.232 8.232 8.173 0.059 25783 756 1 10 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.818 -0.397 25783 757 1 10 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.634 -2.716 25783 758 1 10 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.826 -4.613 25783 759 1 10 . 1 1 20 20 ALA H H 20 8.285 8.285 8.714 -0.429 25783 760 1 10 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.645 -0.354 25783 761 1 10 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.752 -2.384 25783 762 1 10 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.469 -3.225 25783 763 1 10 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.447 -0.303 25783 764 1 10 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.191 -2.864 25783 765 1 10 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.351 -1.739 25783 766 1 10 . 1 1 22 22 LEU H H 22 8.178 8.178 8.483 -0.305 25783 767 1 10 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.418 -0.218 25783 768 1 10 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.212 -2.733 25783 769 1 10 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.930 -3.354 25783 770 1 10 . 1 1 23 23 ALA H H 23 8.121 8.121 8.810 -0.689 25783 771 1 11 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.599 0.156 25783 772 1 11 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.676 -4.155 25783 773 1 11 . 1 1 3 3 THR HA H 3 4.661 4.661 4.632 0.029 25783 774 1 11 . 1 1 3 3 THR CA C 3 58.119 58.119 59.376 -1.257 25783 775 1 11 . 1 1 3 3 THR CB C 3 67.067 67.067 69.084 -2.017 25783 776 1 11 . 1 1 3 3 THR H H 3 7.697 7.697 7.799 -0.102 25783 777 1 11 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.590 -0.427 25783 778 1 11 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.200 -2.982 25783 779 1 11 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.120 -3.896 25783 780 1 11 . 1 1 5 5 MET HA H 5 4.630 4.630 4.584 0.046 25783 781 1 11 . 1 1 5 5 MET CB C 5 31.723 31.723 32.917 -1.194 25783 782 1 11 . 1 1 5 5 MET H H 5 7.527 7.527 7.630 -0.103 25783 783 1 11 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.139 0.703 25783 784 1 11 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.478 -2.201 25783 785 1 11 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.245 -1.964 25783 786 1 11 . 1 1 6 6 VAL H H 6 8.442 8.442 8.655 -0.213 25783 787 1 11 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.457 -2.174 25783 788 1 11 . 1 1 7 7 GLY H H 7 8.267 8.267 8.026 0.241 25783 789 1 11 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.241 -0.155 25783 790 1 11 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.003 -2.869 25783 791 1 11 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.405 -2.447 25783 792 1 11 . 1 1 8 8 LEU H H 8 6.472 6.472 8.056 -1.584 25783 793 1 11 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.974 -0.304 25783 794 1 11 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.959 -4.260 25783 795 1 11 . 1 1 9 9 ASP H H 9 8.401 8.401 8.242 0.159 25783 796 1 11 . 1 1 10 10 SER HA H 10 4.254 4.254 4.363 -0.109 25783 797 1 11 . 1 1 10 10 SER CA C 10 57.056 57.056 60.337 -3.281 25783 798 1 11 . 1 1 10 10 SER CB C 10 60.570 60.570 63.581 -3.010 25783 799 1 11 . 1 1 10 10 SER H H 10 9.124 9.124 9.365 -0.241 25783 800 1 11 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.259 -0.175 25783 801 1 11 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.926 -1.176 25783 802 1 11 . 1 1 11 11 VAL CB C 11 30.568 30.568 34.454 -3.886 25783 803 1 11 . 1 1 11 11 VAL H H 11 8.901 8.901 8.508 0.393 25783 804 1 11 . 1 1 12 12 SER HA H 12 4.436 4.436 4.619 -0.183 25783 805 1 11 . 1 1 12 12 SER CA C 12 55.999 55.999 57.280 -1.281 25783 806 1 11 . 1 1 12 12 SER CB C 12 61.279 61.279 65.106 -3.827 25783 807 1 11 . 1 1 12 12 SER H H 12 7.699 7.699 8.321 -0.622 25783 808 1 11 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.728 -3.425 25783 809 1 11 . 1 1 13 13 GLY H H 13 8.537 8.537 8.608 -0.071 25783 810 1 11 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.465 -0.204 25783 811 1 11 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.433 -2.389 25783 812 1 11 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.328 -3.523 25783 813 1 11 . 1 1 14 14 GLN H H 14 8.150 8.150 8.642 -0.492 25783 814 1 11 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.794 0.140 25783 815 1 11 . 1 1 15 15 TYR CB C 15 37.370 37.370 40.762 -3.392 25783 816 1 11 . 1 1 15 15 TYR H H 15 8.232 8.232 7.588 0.644 25783 817 1 11 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.950 -0.753 25783 818 1 11 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.302 -3.838 25783 819 1 11 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.986 -1.958 25783 820 1 11 . 1 1 16 16 TRP H H 16 8.641 8.641 9.309 -0.668 25783 821 1 11 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.889 -0.594 25783 822 1 11 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.786 -2.058 25783 823 1 11 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.492 -5.479 25783 824 1 11 . 1 1 17 17 ASP H H 17 7.381 7.381 8.585 -1.204 25783 825 1 11 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.578 -1.157 25783 826 1 11 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.397 -1.854 25783 827 1 11 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.490 -2.023 25783 828 1 11 . 1 1 18 18 GLN H H 18 7.690 7.690 8.660 -0.970 25783 829 1 11 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.611 -0.136 25783 830 1 11 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.302 -4.167 25783 831 1 11 . 1 1 19 19 HIS CB C 19 26.464 26.464 28.935 -2.471 25783 832 1 11 . 1 1 19 19 HIS H H 19 8.232 8.232 9.074 -0.842 25783 833 1 11 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.633 -0.212 25783 834 1 11 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.552 -2.634 25783 835 1 11 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.998 -4.785 25783 836 1 11 . 1 1 20 20 ALA H H 20 8.285 8.285 7.582 0.703 25783 837 1 11 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.624 -0.333 25783 838 1 11 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.898 -2.530 25783 839 1 11 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.275 -3.031 25783 840 1 11 . 1 1 22 22 LEU HA H 22 4.144 4.144 5.242 -1.098 25783 841 1 11 . 1 1 22 22 LEU CA C 22 52.327 52.327 53.572 -1.245 25783 842 1 11 . 1 1 22 22 LEU CB C 22 39.612 39.612 44.616 -5.004 25783 843 1 11 . 1 1 22 22 LEU H H 22 8.178 8.178 8.539 -0.361 25783 844 1 11 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.793 -0.593 25783 845 1 11 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.748 -2.269 25783 846 1 11 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.401 -2.825 25783 847 1 11 . 1 1 23 23 ALA H H 23 8.121 8.121 8.819 -0.698 25783 848 1 12 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.587 0.168 25783 849 1 12 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.366 -4.845 25783 850 1 12 . 1 1 3 3 THR HA H 3 4.661 4.661 4.608 0.053 25783 851 1 12 . 1 1 3 3 THR CA C 3 58.119 58.119 59.440 -1.321 25783 852 1 12 . 1 1 3 3 THR CB C 3 67.067 67.067 69.905 -2.838 25783 853 1 12 . 1 1 3 3 THR H H 3 7.697 7.697 7.792 -0.095 25783 854 1 12 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.816 -0.653 25783 855 1 12 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.240 -3.021 25783 856 1 12 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.216 -3.992 25783 857 1 12 . 1 1 5 5 MET HA H 5 4.630 4.630 4.192 0.438 25783 858 1 12 . 1 1 5 5 MET CB C 5 31.723 31.723 31.598 0.125 25783 859 1 12 . 1 1 5 5 MET H H 5 7.527 7.527 7.424 0.103 25783 860 1 12 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.471 0.371 25783 861 1 12 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.634 -2.357 25783 862 1 12 . 1 1 6 6 VAL CB C 6 29.281 29.281 30.860 -1.579 25783 863 1 12 . 1 1 6 6 VAL H H 6 8.442 8.442 8.377 0.065 25783 864 1 12 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.411 -3.128 25783 865 1 12 . 1 1 7 7 GLY H H 7 8.267 8.267 8.355 -0.088 25783 866 1 12 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.808 -0.722 25783 867 1 12 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.829 -1.695 25783 868 1 12 . 1 1 8 8 LEU CB C 8 39.958 39.958 45.043 -5.085 25783 869 1 12 . 1 1 8 8 LEU H H 8 6.472 6.472 7.690 -1.218 25783 870 1 12 . 1 1 9 9 ASP HA H 9 4.670 4.670 5.192 -0.522 25783 871 1 12 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.216 -3.517 25783 872 1 12 . 1 1 9 9 ASP H H 9 8.401 8.401 8.439 -0.038 25783 873 1 12 . 1 1 10 10 SER HA H 10 4.254 4.254 4.374 -0.120 25783 874 1 12 . 1 1 10 10 SER CA C 10 57.056 57.056 60.384 -3.328 25783 875 1 12 . 1 1 10 10 SER CB C 10 60.570 60.570 63.734 -3.164 25783 876 1 12 . 1 1 10 10 SER H H 10 9.124 9.124 8.933 0.191 25783 877 1 12 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.199 -0.115 25783 878 1 12 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.855 -1.105 25783 879 1 12 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.785 -3.216 25783 880 1 12 . 1 1 11 11 VAL H H 11 8.901 8.901 8.330 0.571 25783 881 1 12 . 1 1 12 12 SER HA H 12 4.436 4.436 4.518 -0.082 25783 882 1 12 . 1 1 12 12 SER CA C 12 55.999 55.999 57.973 -1.974 25783 883 1 12 . 1 1 12 12 SER CB C 12 61.279 61.279 66.916 -5.637 25783 884 1 12 . 1 1 12 12 SER H H 12 7.699 7.699 8.780 -1.081 25783 885 1 12 . 1 1 13 13 GLY CA C 13 42.303 42.303 46.334 -4.030 25783 886 1 12 . 1 1 13 13 GLY H H 13 8.537 8.537 8.701 -0.164 25783 887 1 12 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.491 -0.230 25783 888 1 12 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.831 -2.787 25783 889 1 12 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.291 -3.486 25783 890 1 12 . 1 1 14 14 GLN H H 14 8.150 8.150 8.390 -0.240 25783 891 1 12 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.606 0.328 25783 892 1 12 . 1 1 15 15 TYR CB C 15 37.370 37.370 39.079 -1.709 25783 893 1 12 . 1 1 15 15 TYR H H 15 8.232 8.232 7.586 0.646 25783 894 1 12 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.764 -0.567 25783 895 1 12 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.671 -4.207 25783 896 1 12 . 1 1 16 16 TRP CB C 16 28.028 28.028 29.811 -1.783 25783 897 1 12 . 1 1 16 16 TRP H H 16 8.641 8.641 8.883 -0.242 25783 898 1 12 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.553 -0.258 25783 899 1 12 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.898 -3.170 25783 900 1 12 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.051 -5.037 25783 901 1 12 . 1 1 17 17 ASP H H 17 7.381 7.381 8.334 -0.953 25783 902 1 12 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.232 -0.811 25783 903 1 12 . 1 1 18 18 GLN CA C 18 53.543 53.543 56.864 -3.321 25783 904 1 12 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.518 -2.051 25783 905 1 12 . 1 1 18 18 GLN H H 18 7.690 7.690 8.077 -0.387 25783 906 1 12 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.522 -0.047 25783 907 1 12 . 1 1 19 19 HIS CA C 19 52.135 52.135 54.717 -2.582 25783 908 1 12 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.659 -3.195 25783 909 1 12 . 1 1 19 19 HIS H H 19 8.232 8.232 7.415 0.817 25783 910 1 12 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.321 0.100 25783 911 1 12 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.123 -3.205 25783 912 1 12 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.044 -3.831 25783 913 1 12 . 1 1 20 20 ALA H H 20 8.285 8.285 8.585 -0.300 25783 914 1 12 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.517 -0.226 25783 915 1 12 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.661 -2.293 25783 916 1 12 . 1 1 21 21 PRO CB C 21 29.244 29.244 30.526 -1.282 25783 917 1 12 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.448 -0.304 25783 918 1 12 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.034 -2.707 25783 919 1 12 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.425 -2.813 25783 920 1 12 . 1 1 22 22 LEU H H 22 8.178 8.178 8.080 0.098 25783 921 1 12 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.511 -0.311 25783 922 1 12 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.951 -2.472 25783 923 1 12 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.864 -2.288 25783 924 1 12 . 1 1 23 23 ALA H H 23 8.121 8.121 8.774 -0.653 25783 925 1 13 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.655 0.100 25783 926 1 13 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.810 -4.289 25783 927 1 13 . 1 1 3 3 THR HA H 3 4.661 4.661 4.468 0.193 25783 928 1 13 . 1 1 3 3 THR CA C 3 58.119 58.119 59.168 -1.049 25783 929 1 13 . 1 1 3 3 THR CB C 3 67.067 67.067 69.118 -2.051 25783 930 1 13 . 1 1 3 3 THR H H 3 7.697 7.697 7.746 -0.049 25783 931 1 13 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.037 0.127 25783 932 1 13 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.875 -2.656 25783 933 1 13 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.166 -3.942 25783 934 1 13 . 1 1 5 5 MET HA H 5 4.630 4.630 4.353 0.277 25783 935 1 13 . 1 1 5 5 MET CB C 5 31.723 31.723 32.519 -0.796 25783 936 1 13 . 1 1 5 5 MET H H 5 7.527 7.527 7.441 0.086 25783 937 1 13 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.992 -0.150 25783 938 1 13 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.354 -2.077 25783 939 1 13 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.471 -2.190 25783 940 1 13 . 1 1 6 6 VAL H H 6 8.442 8.442 8.765 -0.323 25783 941 1 13 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.899 -2.616 25783 942 1 13 . 1 1 7 7 GLY H H 7 8.267 8.267 7.712 0.555 25783 943 1 13 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.476 -0.390 25783 944 1 13 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.356 -2.223 25783 945 1 13 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.813 -2.855 25783 946 1 13 . 1 1 8 8 LEU H H 8 6.472 6.472 8.051 -1.579 25783 947 1 13 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.720 -0.050 25783 948 1 13 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.759 -4.060 25783 949 1 13 . 1 1 9 9 ASP H H 9 8.401 8.401 8.455 -0.054 25783 950 1 13 . 1 1 10 10 SER HA H 10 4.254 4.254 4.294 -0.040 25783 951 1 13 . 1 1 10 10 SER CA C 10 57.056 57.056 60.126 -3.070 25783 952 1 13 . 1 1 10 10 SER CB C 10 60.570 60.570 63.439 -2.869 25783 953 1 13 . 1 1 10 10 SER H H 10 9.124 9.124 8.658 0.466 25783 954 1 13 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.198 -0.114 25783 955 1 13 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.668 -0.918 25783 956 1 13 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.742 -3.174 25783 957 1 13 . 1 1 11 11 VAL H H 11 8.901 8.901 8.333 0.568 25783 958 1 13 . 1 1 12 12 SER HA H 12 4.436 4.436 4.568 -0.132 25783 959 1 13 . 1 1 12 12 SER CA C 12 55.999 55.999 57.713 -1.714 25783 960 1 13 . 1 1 12 12 SER CB C 12 61.279 61.279 64.966 -3.687 25783 961 1 13 . 1 1 12 12 SER H H 12 7.699 7.699 7.981 -0.282 25783 962 1 13 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.164 -2.861 25783 963 1 13 . 1 1 13 13 GLY H H 13 8.537 8.537 8.557 -0.020 25783 964 1 13 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.370 -0.109 25783 965 1 13 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.212 -2.168 25783 966 1 13 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.980 -3.175 25783 967 1 13 . 1 1 14 14 GLN H H 14 8.150 8.150 8.508 -0.358 25783 968 1 13 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.846 0.088 25783 969 1 13 . 1 1 15 15 TYR CB C 15 37.370 37.370 40.900 -3.530 25783 970 1 13 . 1 1 15 15 TYR H H 15 8.232 8.232 7.457 0.775 25783 971 1 13 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.926 -0.729 25783 972 1 13 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.577 -4.113 25783 973 1 13 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.175 -2.147 25783 974 1 13 . 1 1 16 16 TRP H H 16 8.641 8.641 9.046 -0.405 25783 975 1 13 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.878 -0.583 25783 976 1 13 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.504 -1.776 25783 977 1 13 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.244 -6.230 25783 978 1 13 . 1 1 17 17 ASP H H 17 7.381 7.381 8.632 -1.251 25783 979 1 13 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.365 -0.944 25783 980 1 13 . 1 1 18 18 GLN CA C 18 53.543 53.543 56.774 -3.231 25783 981 1 13 . 1 1 18 18 GLN CB C 18 26.467 26.467 28.941 -2.474 25783 982 1 13 . 1 1 18 18 GLN H H 18 7.690 7.690 8.584 -0.894 25783 983 1 13 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.490 -0.015 25783 984 1 13 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.300 -4.165 25783 985 1 13 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.741 -4.277 25783 986 1 13 . 1 1 19 19 HIS H H 19 8.232 8.232 7.716 0.516 25783 987 1 13 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.800 -0.379 25783 988 1 13 . 1 1 20 20 ALA CA C 20 47.918 47.918 48.342 -0.424 25783 989 1 13 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.280 -4.067 25783 990 1 13 . 1 1 20 20 ALA H H 20 8.285 8.285 7.443 0.842 25783 991 1 13 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.609 -0.318 25783 992 1 13 . 1 1 21 21 PRO CA C 21 60.368 60.368 63.723 -3.355 25783 993 1 13 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.060 -2.816 25783 994 1 13 . 1 1 22 22 LEU HA H 22 4.144 4.144 3.906 0.238 25783 995 1 13 . 1 1 22 22 LEU CA C 22 52.327 52.327 56.799 -4.472 25783 996 1 13 . 1 1 22 22 LEU CB C 22 39.612 39.612 40.989 -1.377 25783 997 1 13 . 1 1 22 22 LEU H H 22 8.178 8.178 8.726 -0.548 25783 998 1 13 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.492 -0.292 25783 999 1 13 . 1 1 23 23 ALA CA C 23 49.479 49.479 51.505 -2.026 25783 1000 1 13 . 1 1 23 23 ALA CB C 23 16.576 16.576 21.411 -4.835 25783 1001 1 13 . 1 1 23 23 ALA H H 23 8.121 8.121 7.734 0.387 25783 1002 1 14 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.494 0.261 25783 1003 1 14 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.668 -4.146 25783 1004 1 14 . 1 1 3 3 THR HA H 3 4.661 4.661 4.516 0.145 25783 1005 1 14 . 1 1 3 3 THR CA C 3 58.119 58.119 59.263 -1.144 25783 1006 1 14 . 1 1 3 3 THR CB C 3 67.067 67.067 69.233 -2.166 25783 1007 1 14 . 1 1 3 3 THR H H 3 7.697 7.697 7.672 0.025 25783 1008 1 14 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.596 -0.433 25783 1009 1 14 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.656 -3.437 25783 1010 1 14 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.291 -4.067 25783 1011 1 14 . 1 1 5 5 MET HA H 5 4.630 4.630 4.500 0.130 25783 1012 1 14 . 1 1 5 5 MET CB C 5 31.723 31.723 32.695 -0.972 25783 1013 1 14 . 1 1 5 5 MET H H 5 7.527 7.527 7.450 0.077 25783 1014 1 14 . 1 1 6 6 VAL HA H 6 3.842 3.842 2.996 0.846 25783 1015 1 14 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.314 -2.037 25783 1016 1 14 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.218 -1.937 25783 1017 1 14 . 1 1 6 6 VAL H H 6 8.442 8.442 8.593 -0.151 25783 1018 1 14 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.470 -2.187 25783 1019 1 14 . 1 1 7 7 GLY H H 7 8.267 8.267 7.970 0.297 25783 1020 1 14 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.185 -0.099 25783 1021 1 14 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.541 -2.408 25783 1022 1 14 . 1 1 8 8 LEU CB C 8 39.958 39.958 41.708 -1.750 25783 1023 1 14 . 1 1 8 8 LEU H H 8 6.472 6.472 8.185 -1.713 25783 1024 1 14 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.575 0.095 25783 1025 1 14 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.657 -2.958 25783 1026 1 14 . 1 1 9 9 ASP H H 9 8.401 8.401 8.569 -0.168 25783 1027 1 14 . 1 1 10 10 SER HA H 10 4.254 4.254 4.453 -0.199 25783 1028 1 14 . 1 1 10 10 SER CA C 10 57.056 57.056 60.568 -3.512 25783 1029 1 14 . 1 1 10 10 SER CB C 10 60.570 60.570 63.683 -3.113 25783 1030 1 14 . 1 1 10 10 SER H H 10 9.124 9.124 8.595 0.529 25783 1031 1 14 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.184 -0.100 25783 1032 1 14 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.819 -1.069 25783 1033 1 14 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.644 -3.075 25783 1034 1 14 . 1 1 11 11 VAL H H 11 8.901 8.901 8.496 0.405 25783 1035 1 14 . 1 1 12 12 SER HA H 12 4.436 4.436 4.625 -0.189 25783 1036 1 14 . 1 1 12 12 SER CA C 12 55.999 55.999 57.525 -1.526 25783 1037 1 14 . 1 1 12 12 SER CB C 12 61.279 61.279 65.805 -4.526 25783 1038 1 14 . 1 1 12 12 SER H H 12 7.699 7.699 8.020 -0.321 25783 1039 1 14 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.109 -2.806 25783 1040 1 14 . 1 1 13 13 GLY H H 13 8.537 8.537 8.547 -0.010 25783 1041 1 14 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.574 -0.314 25783 1042 1 14 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.101 -2.057 25783 1043 1 14 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.454 -2.650 25783 1044 1 14 . 1 1 14 14 GLN H H 14 8.150 8.150 8.750 -0.600 25783 1045 1 14 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.250 -0.316 25783 1046 1 14 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.943 -4.573 25783 1047 1 14 . 1 1 15 15 TYR H H 15 8.232 8.232 7.674 0.558 25783 1048 1 14 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.809 -0.612 25783 1049 1 14 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.235 -3.771 25783 1050 1 14 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.181 -2.153 25783 1051 1 14 . 1 1 16 16 TRP H H 16 8.641 8.641 9.099 -0.458 25783 1052 1 14 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.896 -0.601 25783 1053 1 14 . 1 1 17 17 ASP CA C 17 50.728 50.728 52.432 -1.704 25783 1054 1 14 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.268 -6.254 25783 1055 1 14 . 1 1 17 17 ASP H H 17 7.381 7.381 8.623 -1.242 25783 1056 1 14 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.313 -0.892 25783 1057 1 14 . 1 1 18 18 GLN CA C 18 53.543 53.543 56.465 -2.922 25783 1058 1 14 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.106 -2.639 25783 1059 1 14 . 1 1 18 18 GLN H H 18 7.690 7.690 8.536 -0.846 25783 1060 1 14 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.490 -0.015 25783 1061 1 14 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.044 -3.909 25783 1062 1 14 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.548 -4.084 25783 1063 1 14 . 1 1 19 19 HIS H H 19 8.232 8.232 7.911 0.321 25783 1064 1 14 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.539 -0.118 25783 1065 1 14 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.016 -2.098 25783 1066 1 14 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.964 -3.751 25783 1067 1 14 . 1 1 20 20 ALA H H 20 8.285 8.285 8.103 0.182 25783 1068 1 14 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.260 0.031 25783 1069 1 14 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.667 -2.300 25783 1070 1 14 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.319 -3.075 25783 1071 1 14 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.606 -0.462 25783 1072 1 14 . 1 1 22 22 LEU CA C 22 52.327 52.327 53.666 -1.339 25783 1073 1 14 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.333 -2.721 25783 1074 1 14 . 1 1 22 22 LEU H H 22 8.178 8.178 7.953 0.225 25783 1075 1 14 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.091 0.109 25783 1076 1 14 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.873 -3.394 25783 1077 1 14 . 1 1 23 23 ALA CB C 23 16.576 16.576 17.910 -1.334 25783 1078 1 14 . 1 1 23 23 ALA H H 23 8.121 8.121 8.259 -0.138 25783 1079 1 15 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.491 0.264 25783 1080 1 15 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.489 -3.968 25783 1081 1 15 . 1 1 3 3 THR HA H 3 4.661 4.661 4.597 0.064 25783 1082 1 15 . 1 1 3 3 THR CA C 3 58.119 58.119 58.584 -0.465 25783 1083 1 15 . 1 1 3 3 THR CB C 3 67.067 67.067 69.475 -2.408 25783 1084 1 15 . 1 1 3 3 THR H H 3 7.697 7.697 7.642 0.055 25783 1085 1 15 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.153 0.010 25783 1086 1 15 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.428 -3.209 25783 1087 1 15 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.217 -3.993 25783 1088 1 15 . 1 1 5 5 MET HA H 5 4.630 4.630 4.432 0.198 25783 1089 1 15 . 1 1 5 5 MET CB C 5 31.723 31.723 32.040 -0.317 25783 1090 1 15 . 1 1 5 5 MET H H 5 7.527 7.527 7.473 0.054 25783 1091 1 15 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.865 -0.023 25783 1092 1 15 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.491 -2.214 25783 1093 1 15 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.195 -2.914 25783 1094 1 15 . 1 1 6 6 VAL H H 6 8.442 8.442 8.403 0.039 25783 1095 1 15 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.423 -2.140 25783 1096 1 15 . 1 1 7 7 GLY H H 7 8.267 8.267 8.074 0.193 25783 1097 1 15 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.517 -0.431 25783 1098 1 15 . 1 1 8 8 LEU CA C 8 52.134 52.134 55.025 -2.891 25783 1099 1 15 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.636 -2.678 25783 1100 1 15 . 1 1 8 8 LEU H H 8 6.472 6.472 8.150 -1.678 25783 1101 1 15 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.756 -0.086 25783 1102 1 15 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.649 -3.950 25783 1103 1 15 . 1 1 9 9 ASP H H 9 8.401 8.401 8.356 0.045 25783 1104 1 15 . 1 1 10 10 SER HA H 10 4.254 4.254 4.260 -0.006 25783 1105 1 15 . 1 1 10 10 SER CA C 10 57.056 57.056 60.268 -3.212 25783 1106 1 15 . 1 1 10 10 SER CB C 10 60.570 60.570 63.497 -2.927 25783 1107 1 15 . 1 1 10 10 SER H H 10 9.124 9.124 9.073 0.051 25783 1108 1 15 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.246 -0.162 25783 1109 1 15 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.943 -1.193 25783 1110 1 15 . 1 1 11 11 VAL CB C 11 30.568 30.568 32.963 -2.395 25783 1111 1 15 . 1 1 11 11 VAL H H 11 8.901 8.901 8.313 0.588 25783 1112 1 15 . 1 1 12 12 SER HA H 12 4.436 4.436 4.486 -0.050 25783 1113 1 15 . 1 1 12 12 SER CA C 12 55.999 55.999 57.717 -1.718 25783 1114 1 15 . 1 1 12 12 SER CB C 12 61.279 61.279 65.045 -3.766 25783 1115 1 15 . 1 1 12 12 SER H H 12 7.699 7.699 7.802 -0.103 25783 1116 1 15 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.262 -2.959 25783 1117 1 15 . 1 1 13 13 GLY H H 13 8.537 8.537 8.697 -0.160 25783 1118 1 15 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.445 -0.184 25783 1119 1 15 . 1 1 14 14 GLN CA C 14 53.044 53.044 54.813 -1.769 25783 1120 1 15 . 1 1 14 14 GLN CB C 14 26.805 26.805 31.323 -4.518 25783 1121 1 15 . 1 1 14 14 GLN H H 14 8.150 8.150 8.253 -0.103 25783 1122 1 15 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.320 0.614 25783 1123 1 15 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.354 0.016 25783 1124 1 15 . 1 1 15 15 TYR H H 15 8.232 8.232 7.858 0.374 25783 1125 1 15 . 1 1 16 16 TRP HA H 16 4.197 4.197 5.041 -0.844 25783 1126 1 15 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.660 -3.196 25783 1127 1 15 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.106 -2.078 25783 1128 1 15 . 1 1 16 16 TRP H H 16 8.641 8.641 8.842 -0.201 25783 1129 1 15 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.954 -0.659 25783 1130 1 15 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.263 -2.535 25783 1131 1 15 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.222 -6.208 25783 1132 1 15 . 1 1 17 17 ASP H H 17 7.381 7.381 8.584 -1.203 25783 1133 1 15 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.418 -0.997 25783 1134 1 15 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.306 -1.763 25783 1135 1 15 . 1 1 18 18 GLN CB C 18 26.467 26.467 31.275 -4.808 25783 1136 1 15 . 1 1 18 18 GLN H H 18 7.690 7.690 8.256 -0.566 25783 1137 1 15 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.574 -0.099 25783 1138 1 15 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.389 -4.254 25783 1139 1 15 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.915 -4.451 25783 1140 1 15 . 1 1 19 19 HIS H H 19 8.232 8.232 8.674 -0.442 25783 1141 1 15 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.190 0.231 25783 1142 1 15 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.561 -3.643 25783 1143 1 15 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.456 -3.244 25783 1144 1 15 . 1 1 20 20 ALA H H 20 8.285 8.285 7.962 0.323 25783 1145 1 15 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.376 -0.085 25783 1146 1 15 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.859 -2.491 25783 1147 1 15 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.333 -3.089 25783 1148 1 15 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.347 -0.203 25783 1149 1 15 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.998 -2.671 25783 1150 1 15 . 1 1 22 22 LEU CB C 22 39.612 39.612 39.530 0.082 25783 1151 1 15 . 1 1 22 22 LEU H H 22 8.178 8.178 8.558 -0.380 25783 1152 1 15 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.152 0.048 25783 1153 1 15 . 1 1 23 23 ALA CA C 23 49.479 49.479 53.324 -3.845 25783 1154 1 15 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.313 -2.737 25783 1155 1 15 . 1 1 23 23 ALA H H 23 8.121 8.121 7.983 0.138 25783 1156 1 16 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.645 0.110 25783 1157 1 16 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.802 -5.281 25783 1158 1 16 . 1 1 3 3 THR HA H 3 4.661 4.661 4.451 0.210 25783 1159 1 16 . 1 1 3 3 THR CA C 3 58.119 58.119 60.056 -1.937 25783 1160 1 16 . 1 1 3 3 THR CB C 3 67.067 67.067 69.152 -2.085 25783 1161 1 16 . 1 1 3 3 THR H H 3 7.697 7.697 7.835 -0.138 25783 1162 1 16 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.745 -0.582 25783 1163 1 16 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.589 -3.369 25783 1164 1 16 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.253 -4.029 25783 1165 1 16 . 1 1 5 5 MET HA H 5 4.630 4.630 4.408 0.222 25783 1166 1 16 . 1 1 5 5 MET CB C 5 31.723 31.723 32.156 -0.433 25783 1167 1 16 . 1 1 5 5 MET H H 5 7.527 7.527 7.344 0.183 25783 1168 1 16 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.258 0.584 25783 1169 1 16 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.723 -2.446 25783 1170 1 16 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.528 -2.247 25783 1171 1 16 . 1 1 6 6 VAL H H 6 8.442 8.442 7.537 0.905 25783 1172 1 16 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.401 -2.118 25783 1173 1 16 . 1 1 7 7 GLY H H 7 8.267 8.267 7.773 0.494 25783 1174 1 16 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.110 -0.024 25783 1175 1 16 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.635 -1.501 25783 1176 1 16 . 1 1 8 8 LEU CB C 8 39.958 39.958 41.146 -1.188 25783 1177 1 16 . 1 1 8 8 LEU H H 8 6.472 6.472 7.695 -1.223 25783 1178 1 16 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.517 0.153 25783 1179 1 16 . 1 1 9 9 ASP CB C 9 39.699 39.699 40.832 -1.133 25783 1180 1 16 . 1 1 9 9 ASP H H 9 8.401 8.401 8.560 -0.159 25783 1181 1 16 . 1 1 10 10 SER HA H 10 4.254 4.254 4.326 -0.072 25783 1182 1 16 . 1 1 10 10 SER CA C 10 57.056 57.056 59.963 -2.907 25783 1183 1 16 . 1 1 10 10 SER CB C 10 60.570 60.570 63.573 -3.003 25783 1184 1 16 . 1 1 10 10 SER H H 10 9.124 9.124 9.140 -0.016 25783 1185 1 16 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.187 -0.103 25783 1186 1 16 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.598 -0.848 25783 1187 1 16 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.482 -2.914 25783 1188 1 16 . 1 1 11 11 VAL H H 11 8.901 8.901 8.240 0.661 25783 1189 1 16 . 1 1 12 12 SER HA H 12 4.436 4.436 4.115 0.321 25783 1190 1 16 . 1 1 12 12 SER CA C 12 55.999 55.999 58.219 -2.220 25783 1191 1 16 . 1 1 12 12 SER CB C 12 61.279 61.279 62.902 -1.623 25783 1192 1 16 . 1 1 12 12 SER H H 12 7.699 7.699 8.239 -0.540 25783 1193 1 16 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.715 -3.412 25783 1194 1 16 . 1 1 13 13 GLY H H 13 8.537 8.537 8.261 0.276 25783 1195 1 16 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.538 -0.277 25783 1196 1 16 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.370 -2.326 25783 1197 1 16 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.801 -2.996 25783 1198 1 16 . 1 1 14 14 GLN H H 14 8.150 8.150 8.138 0.012 25783 1199 1 16 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.419 0.515 25783 1200 1 16 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.367 0.002 25783 1201 1 16 . 1 1 15 15 TYR H H 15 8.232 8.232 8.035 0.197 25783 1202 1 16 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.748 -0.551 25783 1203 1 16 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.329 -3.865 25783 1204 1 16 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.326 -2.298 25783 1205 1 16 . 1 1 16 16 TRP H H 16 8.641 8.641 8.652 -0.011 25783 1206 1 16 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.707 -0.412 25783 1207 1 16 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.893 -3.165 25783 1208 1 16 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.087 -5.073 25783 1209 1 16 . 1 1 17 17 ASP H H 17 7.381 7.381 9.015 -1.634 25783 1210 1 16 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.346 -0.925 25783 1211 1 16 . 1 1 18 18 GLN CA C 18 53.543 53.543 54.794 -1.251 25783 1212 1 16 . 1 1 18 18 GLN CB C 18 26.467 26.467 27.723 -1.256 25783 1213 1 16 . 1 1 18 18 GLN H H 18 7.690 7.690 8.748 -1.058 25783 1214 1 16 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.281 0.194 25783 1215 1 16 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.115 -4.980 25783 1216 1 16 . 1 1 19 19 HIS CB C 19 26.464 26.464 28.952 -2.488 25783 1217 1 16 . 1 1 19 19 HIS H H 19 8.232 8.232 7.825 0.407 25783 1218 1 16 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.682 -0.261 25783 1219 1 16 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.264 -2.346 25783 1220 1 16 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.093 -3.880 25783 1221 1 16 . 1 1 20 20 ALA H H 20 8.285 8.285 8.506 -0.221 25783 1222 1 16 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.499 -0.208 25783 1223 1 16 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.818 -2.450 25783 1224 1 16 . 1 1 21 21 PRO CB C 21 29.244 29.244 29.970 -0.726 25783 1225 1 16 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.551 -0.407 25783 1226 1 16 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.970 -2.643 25783 1227 1 16 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.450 -2.837 25783 1228 1 16 . 1 1 22 22 LEU H H 22 8.178 8.178 7.873 0.305 25783 1229 1 16 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.539 -0.339 25783 1230 1 16 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.447 -2.968 25783 1231 1 16 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.131 -2.555 25783 1232 1 16 . 1 1 23 23 ALA H H 23 8.121 8.121 8.902 -0.781 25783 1233 1 17 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.543 0.212 25783 1234 1 17 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.486 -4.965 25783 1235 1 17 . 1 1 3 3 THR HA H 3 4.661 4.661 4.475 0.186 25783 1236 1 17 . 1 1 3 3 THR CA C 3 58.119 58.119 60.229 -2.110 25783 1237 1 17 . 1 1 3 3 THR CB C 3 67.067 67.067 69.732 -2.665 25783 1238 1 17 . 1 1 3 3 THR H H 3 7.697 7.697 7.853 -0.156 25783 1239 1 17 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.619 -0.456 25783 1240 1 17 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.180 -2.961 25783 1241 1 17 . 1 1 4 4 PRO CB C 4 28.224 28.224 31.497 -3.272 25783 1242 1 17 . 1 1 5 5 MET HA H 5 4.630 4.630 4.523 0.107 25783 1243 1 17 . 1 1 5 5 MET CB C 5 31.723 31.723 33.620 -1.897 25783 1244 1 17 . 1 1 5 5 MET H H 5 7.527 7.527 7.652 -0.125 25783 1245 1 17 . 1 1 6 6 VAL HA H 6 3.842 3.842 2.852 0.990 25783 1246 1 17 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.388 -1.111 25783 1247 1 17 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.699 -2.418 25783 1248 1 17 . 1 1 6 6 VAL H H 6 8.442 8.442 8.516 -0.074 25783 1249 1 17 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.712 -2.429 25783 1250 1 17 . 1 1 7 7 GLY H H 7 8.267 8.267 7.522 0.745 25783 1251 1 17 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.534 -0.448 25783 1252 1 17 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.890 -1.756 25783 1253 1 17 . 1 1 8 8 LEU CB C 8 39.958 39.958 43.336 -3.378 25783 1254 1 17 . 1 1 8 8 LEU H H 8 6.472 6.472 7.922 -1.450 25783 1255 1 17 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.971 -0.301 25783 1256 1 17 . 1 1 9 9 ASP CB C 9 39.699 39.699 43.697 -3.998 25783 1257 1 17 . 1 1 9 9 ASP H H 9 8.401 8.401 8.250 0.151 25783 1258 1 17 . 1 1 10 10 SER HA H 10 4.254 4.254 4.287 -0.033 25783 1259 1 17 . 1 1 10 10 SER CA C 10 57.056 57.056 61.193 -4.137 25783 1260 1 17 . 1 1 10 10 SER CB C 10 60.570 60.570 63.878 -3.308 25783 1261 1 17 . 1 1 10 10 SER H H 10 9.124 9.124 9.154 -0.030 25783 1262 1 17 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.108 -0.024 25783 1263 1 17 . 1 1 11 11 VAL CA C 11 61.750 61.750 63.102 -1.352 25783 1264 1 17 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.254 -2.686 25783 1265 1 17 . 1 1 11 11 VAL H H 11 8.901 8.901 7.937 0.964 25783 1266 1 17 . 1 1 12 12 SER HA H 12 4.436 4.436 4.650 -0.214 25783 1267 1 17 . 1 1 12 12 SER CA C 12 55.999 55.999 58.225 -2.226 25783 1268 1 17 . 1 1 12 12 SER CB C 12 61.279 61.279 65.792 -4.513 25783 1269 1 17 . 1 1 12 12 SER H H 12 7.699 7.699 7.981 -0.282 25783 1270 1 17 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.956 -2.653 25783 1271 1 17 . 1 1 13 13 GLY H H 13 8.537 8.537 8.281 0.256 25783 1272 1 17 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.667 -0.406 25783 1273 1 17 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.860 -2.816 25783 1274 1 17 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.469 -3.664 25783 1275 1 17 . 1 1 14 14 GLN H H 14 8.150 8.150 8.618 -0.468 25783 1276 1 17 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.788 0.146 25783 1277 1 17 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.321 -3.951 25783 1278 1 17 . 1 1 15 15 TYR H H 15 8.232 8.232 7.699 0.533 25783 1279 1 17 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.832 -0.635 25783 1280 1 17 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.474 -4.010 25783 1281 1 17 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.236 -2.208 25783 1282 1 17 . 1 1 16 16 TRP H H 16 8.641 8.641 8.869 -0.228 25783 1283 1 17 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.714 -0.419 25783 1284 1 17 . 1 1 17 17 ASP CA C 17 50.728 50.728 56.477 -5.749 25783 1285 1 17 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.374 -5.360 25783 1286 1 17 . 1 1 17 17 ASP H H 17 7.381 7.381 7.966 -0.585 25783 1287 1 17 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.013 -0.592 25783 1288 1 17 . 1 1 18 18 GLN CA C 18 53.543 53.543 57.638 -4.095 25783 1289 1 17 . 1 1 18 18 GLN CB C 18 26.467 26.467 27.668 -1.201 25783 1290 1 17 . 1 1 18 18 GLN H H 18 7.690 7.690 8.850 -1.160 25783 1291 1 17 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.388 0.087 25783 1292 1 17 . 1 1 19 19 HIS CA C 19 52.135 52.135 58.638 -6.503 25783 1293 1 17 . 1 1 19 19 HIS CB C 19 26.464 26.464 30.498 -4.034 25783 1294 1 17 . 1 1 19 19 HIS H H 19 8.232 8.232 8.252 -0.020 25783 1295 1 17 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.426 -0.005 25783 1296 1 17 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.356 -2.438 25783 1297 1 17 . 1 1 20 20 ALA CB C 20 15.213 15.213 20.332 -5.119 25783 1298 1 17 . 1 1 20 20 ALA H H 20 8.285 8.285 7.734 0.551 25783 1299 1 17 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.712 -0.421 25783 1300 1 17 . 1 1 21 21 PRO CA C 21 60.368 60.368 63.156 -2.788 25783 1301 1 17 . 1 1 21 21 PRO CB C 21 29.244 29.244 31.074 -1.830 25783 1302 1 17 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.741 -0.597 25783 1303 1 17 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.281 -1.954 25783 1304 1 17 . 1 1 22 22 LEU CB C 22 39.612 39.612 43.500 -3.888 25783 1305 1 17 . 1 1 22 22 LEU H H 22 8.178 8.178 8.205 -0.027 25783 1306 1 17 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.348 -0.148 25783 1307 1 17 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.097 -2.618 25783 1308 1 17 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.230 -2.654 25783 1309 1 17 . 1 1 23 23 ALA H H 23 8.121 8.121 8.584 -0.463 25783 1310 1 18 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.485 0.270 25783 1311 1 18 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.943 -4.422 25783 1312 1 18 . 1 1 3 3 THR HA H 3 4.661 4.661 4.618 0.043 25783 1313 1 18 . 1 1 3 3 THR CA C 3 58.119 58.119 59.594 -1.475 25783 1314 1 18 . 1 1 3 3 THR CB C 3 67.067 67.067 69.219 -2.152 25783 1315 1 18 . 1 1 3 3 THR H H 3 7.697 7.697 7.853 -0.156 25783 1316 1 18 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.535 -0.372 25783 1317 1 18 . 1 1 4 4 PRO CA C 4 60.219 60.219 62.806 -2.587 25783 1318 1 18 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.105 -3.881 25783 1319 1 18 . 1 1 5 5 MET HA H 5 4.630 4.630 4.496 0.134 25783 1320 1 18 . 1 1 5 5 MET CB C 5 31.723 31.723 33.325 -1.602 25783 1321 1 18 . 1 1 5 5 MET H H 5 7.527 7.527 7.799 -0.272 25783 1322 1 18 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.032 0.810 25783 1323 1 18 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.933 -1.656 25783 1324 1 18 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.375 -3.094 25783 1325 1 18 . 1 1 6 6 VAL H H 6 8.442 8.442 8.537 -0.095 25783 1326 1 18 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.591 -2.308 25783 1327 1 18 . 1 1 7 7 GLY H H 7 8.267 8.267 7.945 0.322 25783 1328 1 18 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.361 -0.275 25783 1329 1 18 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.516 -2.382 25783 1330 1 18 . 1 1 8 8 LEU CB C 8 39.958 39.958 42.670 -2.712 25783 1331 1 18 . 1 1 8 8 LEU H H 8 6.472 6.472 8.156 -1.684 25783 1332 1 18 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.793 -0.123 25783 1333 1 18 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.486 -2.787 25783 1334 1 18 . 1 1 9 9 ASP H H 9 8.401 8.401 8.620 -0.219 25783 1335 1 18 . 1 1 10 10 SER HA H 10 4.254 4.254 4.316 -0.062 25783 1336 1 18 . 1 1 10 10 SER CA C 10 57.056 57.056 60.816 -3.760 25783 1337 1 18 . 1 1 10 10 SER CB C 10 60.570 60.570 63.486 -2.916 25783 1338 1 18 . 1 1 10 10 SER H H 10 9.124 9.124 8.643 0.481 25783 1339 1 18 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.028 0.056 25783 1340 1 18 . 1 1 11 11 VAL CA C 11 61.750 61.750 63.011 -1.262 25783 1341 1 18 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.221 -2.653 25783 1342 1 18 . 1 1 11 11 VAL H H 11 8.901 8.901 7.701 1.200 25783 1343 1 18 . 1 1 12 12 SER HA H 12 4.436 4.436 4.651 -0.215 25783 1344 1 18 . 1 1 12 12 SER CA C 12 55.999 55.999 57.112 -1.113 25783 1345 1 18 . 1 1 12 12 SER CB C 12 61.279 61.279 64.861 -3.582 25783 1346 1 18 . 1 1 12 12 SER H H 12 7.699 7.699 7.688 0.011 25783 1347 1 18 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.458 -3.155 25783 1348 1 18 . 1 1 13 13 GLY H H 13 8.537 8.537 8.248 0.289 25783 1349 1 18 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.093 0.168 25783 1350 1 18 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.457 -3.413 25783 1351 1 18 . 1 1 14 14 GLN CB C 14 26.805 26.805 27.442 -0.637 25783 1352 1 18 . 1 1 14 14 GLN H H 14 8.150 8.150 8.439 -0.289 25783 1353 1 18 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.332 0.602 25783 1354 1 18 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.671 -0.301 25783 1355 1 18 . 1 1 15 15 TYR H H 15 8.232 8.232 7.834 0.398 25783 1356 1 18 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.907 -0.710 25783 1357 1 18 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.240 -3.776 25783 1358 1 18 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.175 -2.147 25783 1359 1 18 . 1 1 16 16 TRP H H 16 8.641 8.641 9.115 -0.474 25783 1360 1 18 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.845 -0.550 25783 1361 1 18 . 1 1 17 17 ASP CA C 17 50.728 50.728 54.155 -3.427 25783 1362 1 18 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.740 -5.726 25783 1363 1 18 . 1 1 17 17 ASP H H 17 7.381 7.381 8.897 -1.516 25783 1364 1 18 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.401 -0.980 25783 1365 1 18 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.745 -2.202 25783 1366 1 18 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.184 -3.717 25783 1367 1 18 . 1 1 18 18 GLN H H 18 7.690 7.690 8.658 -0.968 25783 1368 1 18 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.165 0.310 25783 1369 1 18 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.346 -5.211 25783 1370 1 18 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.053 -2.589 25783 1371 1 18 . 1 1 19 19 HIS H H 19 8.232 8.232 8.531 -0.299 25783 1372 1 18 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.383 0.038 25783 1373 1 18 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.043 -3.125 25783 1374 1 18 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.749 -3.536 25783 1375 1 18 . 1 1 20 20 ALA H H 20 8.285 8.285 7.929 0.356 25783 1376 1 18 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.426 -0.135 25783 1377 1 18 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.500 -2.132 25783 1378 1 18 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.407 -3.163 25783 1379 1 18 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.081 0.063 25783 1380 1 18 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.334 -3.007 25783 1381 1 18 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.922 -2.310 25783 1382 1 18 . 1 1 22 22 LEU H H 22 8.178 8.178 7.947 0.231 25783 1383 1 18 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.134 0.066 25783 1384 1 18 . 1 1 23 23 ALA CA C 23 49.479 49.479 53.070 -3.591 25783 1385 1 18 . 1 1 23 23 ALA CB C 23 16.576 16.576 17.067 -0.491 25783 1386 1 18 . 1 1 23 23 ALA H H 23 8.121 8.121 8.776 -0.655 25783 1387 1 19 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.587 0.168 25783 1388 1 19 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.828 -4.307 25783 1389 1 19 . 1 1 3 3 THR HA H 3 4.661 4.661 4.457 0.204 25783 1390 1 19 . 1 1 3 3 THR CA C 3 58.119 58.119 59.746 -1.627 25783 1391 1 19 . 1 1 3 3 THR CB C 3 67.067 67.067 69.033 -1.966 25783 1392 1 19 . 1 1 3 3 THR H H 3 7.697 7.697 7.843 -0.146 25783 1393 1 19 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.772 -0.609 25783 1394 1 19 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.043 -2.824 25783 1395 1 19 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.058 -3.834 25783 1396 1 19 . 1 1 5 5 MET HA H 5 4.630 4.630 4.556 0.074 25783 1397 1 19 . 1 1 5 5 MET CB C 5 31.723 31.723 32.779 -1.056 25783 1398 1 19 . 1 1 5 5 MET H H 5 7.527 7.527 7.761 -0.234 25783 1399 1 19 . 1 1 6 6 VAL HA H 6 3.842 3.842 2.419 1.423 25783 1400 1 19 . 1 1 6 6 VAL CA C 6 61.277 61.277 63.623 -2.346 25783 1401 1 19 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.145 -2.864 25783 1402 1 19 . 1 1 6 6 VAL H H 6 8.442 8.442 8.281 0.161 25783 1403 1 19 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.538 -2.255 25783 1404 1 19 . 1 1 7 7 GLY H H 7 8.267 8.267 7.853 0.414 25783 1405 1 19 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.426 -0.340 25783 1406 1 19 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.474 -1.340 25783 1407 1 19 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.106 -4.148 25783 1408 1 19 . 1 1 8 8 LEU H H 8 6.472 6.472 7.849 -1.377 25783 1409 1 19 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.506 0.164 25783 1410 1 19 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.742 -3.043 25783 1411 1 19 . 1 1 9 9 ASP H H 9 8.401 8.401 7.879 0.522 25783 1412 1 19 . 1 1 10 10 SER HA H 10 4.254 4.254 4.271 -0.017 25783 1413 1 19 . 1 1 10 10 SER CA C 10 57.056 57.056 59.880 -2.824 25783 1414 1 19 . 1 1 10 10 SER CB C 10 60.570 60.570 63.082 -2.512 25783 1415 1 19 . 1 1 10 10 SER H H 10 9.124 9.124 8.612 0.512 25783 1416 1 19 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.084 -0.000 25783 1417 1 19 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.705 -0.955 25783 1418 1 19 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.312 -2.744 25783 1419 1 19 . 1 1 11 11 VAL H H 11 8.901 8.901 7.779 1.122 25783 1420 1 19 . 1 1 12 12 SER HA H 12 4.436 4.436 4.695 -0.259 25783 1421 1 19 . 1 1 12 12 SER CA C 12 55.999 55.999 56.858 -0.859 25783 1422 1 19 . 1 1 12 12 SER CB C 12 61.279 61.279 65.002 -3.723 25783 1423 1 19 . 1 1 12 12 SER H H 12 7.699 7.699 7.677 0.022 25783 1424 1 19 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.762 -2.459 25783 1425 1 19 . 1 1 13 13 GLY H H 13 8.537 8.537 8.341 0.196 25783 1426 1 19 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.050 0.211 25783 1427 1 19 . 1 1 14 14 GLN CA C 14 53.044 53.044 56.611 -3.567 25783 1428 1 19 . 1 1 14 14 GLN CB C 14 26.805 26.805 27.114 -0.309 25783 1429 1 19 . 1 1 14 14 GLN H H 14 8.150 8.150 8.604 -0.454 25783 1430 1 19 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.229 0.705 25783 1431 1 19 . 1 1 15 15 TYR CB C 15 37.370 37.370 37.564 -0.194 25783 1432 1 19 . 1 1 15 15 TYR H H 15 8.232 8.232 7.901 0.331 25783 1433 1 19 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.737 -0.540 25783 1434 1 19 . 1 1 16 16 TRP CA C 16 54.464 54.464 57.779 -3.315 25783 1435 1 19 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.425 -2.397 25783 1436 1 19 . 1 1 16 16 TRP H H 16 8.641 8.641 8.504 0.137 25783 1437 1 19 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.834 -0.539 25783 1438 1 19 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.443 -2.715 25783 1439 1 19 . 1 1 17 17 ASP CB C 17 37.014 37.014 41.558 -4.544 25783 1440 1 19 . 1 1 17 17 ASP H H 17 7.381 7.381 8.867 -1.486 25783 1441 1 19 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.339 -0.918 25783 1442 1 19 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.342 -1.799 25783 1443 1 19 . 1 1 18 18 GLN CB C 18 26.467 26.467 31.082 -4.615 25783 1444 1 19 . 1 1 18 18 GLN H H 18 7.690 7.690 8.386 -0.696 25783 1445 1 19 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.283 0.192 25783 1446 1 19 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.426 -4.291 25783 1447 1 19 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.480 -3.016 25783 1448 1 19 . 1 1 19 19 HIS H H 19 8.232 8.232 8.318 -0.086 25783 1449 1 19 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.635 -0.214 25783 1450 1 19 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.804 -2.886 25783 1451 1 19 . 1 1 20 20 ALA CB C 20 15.213 15.213 19.461 -4.248 25783 1452 1 19 . 1 1 20 20 ALA H H 20 8.285 8.285 8.301 -0.016 25783 1453 1 19 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.519 -0.228 25783 1454 1 19 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.928 -2.560 25783 1455 1 19 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.240 -2.996 25783 1456 1 19 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.389 -0.245 25783 1457 1 19 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.590 -3.263 25783 1458 1 19 . 1 1 22 22 LEU CB C 22 39.612 39.612 41.070 -1.458 25783 1459 1 19 . 1 1 22 22 LEU H H 22 8.178 8.178 8.054 0.124 25783 1460 1 19 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.388 -0.188 25783 1461 1 19 . 1 1 23 23 ALA CA C 23 49.479 49.479 53.091 -3.612 25783 1462 1 19 . 1 1 23 23 ALA CB C 23 16.576 16.576 18.866 -2.290 25783 1463 1 19 . 1 1 23 23 ALA H H 23 8.121 8.121 8.311 -0.190 25783 1464 1 20 . 1 1 2 2 PRO HA H 2 4.755 4.755 4.460 0.295 25783 1465 1 20 . 1 1 2 2 PRO CB C 2 27.521 27.521 32.388 -4.867 25783 1466 1 20 . 1 1 3 3 THR HA H 3 4.661 4.661 4.361 0.300 25783 1467 1 20 . 1 1 3 3 THR CA C 3 58.119 58.119 60.222 -2.103 25783 1468 1 20 . 1 1 3 3 THR CB C 3 67.067 67.067 69.289 -2.222 25783 1469 1 20 . 1 1 3 3 THR H H 3 7.697 7.697 7.566 0.131 25783 1470 1 20 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.564 -0.401 25783 1471 1 20 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.004 -2.785 25783 1472 1 20 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.078 -3.854 25783 1473 1 20 . 1 1 5 5 MET HA H 5 4.630 4.630 4.556 0.074 25783 1474 1 20 . 1 1 5 5 MET CB C 5 31.723 31.723 32.662 -0.939 25783 1475 1 20 . 1 1 5 5 MET H H 5 7.527 7.527 7.572 -0.045 25783 1476 1 20 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.076 0.766 25783 1477 1 20 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.779 -1.502 25783 1478 1 20 . 1 1 6 6 VAL CB C 6 29.281 29.281 32.017 -2.736 25783 1479 1 20 . 1 1 6 6 VAL H H 6 8.442 8.442 8.533 -0.091 25783 1480 1 20 . 1 1 7 7 GLY CA C 7 42.283 42.283 45.633 -3.350 25783 1481 1 20 . 1 1 7 7 GLY H H 7 8.267 8.267 8.385 -0.118 25783 1482 1 20 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.432 -0.346 25783 1483 1 20 . 1 1 8 8 LEU CA C 8 52.134 52.134 53.665 -1.531 25783 1484 1 20 . 1 1 8 8 LEU CB C 8 39.958 39.958 44.681 -4.723 25783 1485 1 20 . 1 1 8 8 LEU H H 8 6.472 6.472 7.098 -0.626 25783 1486 1 20 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.676 -0.006 25783 1487 1 20 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.420 -2.721 25783 1488 1 20 . 1 1 9 9 ASP H H 9 8.401 8.401 8.525 -0.124 25783 1489 1 20 . 1 1 10 10 SER HA H 10 4.254 4.254 4.347 -0.093 25783 1490 1 20 . 1 1 10 10 SER CA C 10 57.056 57.056 60.027 -2.971 25783 1491 1 20 . 1 1 10 10 SER CB C 10 60.570 60.570 63.241 -2.671 25783 1492 1 20 . 1 1 10 10 SER H H 10 9.124 9.124 8.477 0.647 25783 1493 1 20 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.256 -0.172 25783 1494 1 20 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.550 -0.800 25783 1495 1 20 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.602 -3.034 25783 1496 1 20 . 1 1 11 11 VAL H H 11 8.901 8.901 8.381 0.520 25783 1497 1 20 . 1 1 12 12 SER HA H 12 4.436 4.436 4.486 -0.050 25783 1498 1 20 . 1 1 12 12 SER CA C 12 55.999 55.999 57.685 -1.686 25783 1499 1 20 . 1 1 12 12 SER CB C 12 61.279 61.279 64.045 -2.766 25783 1500 1 20 . 1 1 12 12 SER H H 12 7.699 7.699 8.110 -0.411 25783 1501 1 20 . 1 1 13 13 GLY CA C 13 42.303 42.303 44.904 -2.601 25783 1502 1 20 . 1 1 13 13 GLY H H 13 8.537 8.537 8.315 0.222 25783 1503 1 20 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.448 -0.187 25783 1504 1 20 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.491 -2.447 25783 1505 1 20 . 1 1 14 14 GLN CB C 14 26.805 26.805 30.044 -3.239 25783 1506 1 20 . 1 1 14 14 GLN H H 14 8.150 8.150 8.694 -0.544 25783 1507 1 20 . 1 1 15 15 TYR HA H 15 4.934 4.934 5.161 -0.227 25783 1508 1 20 . 1 1 15 15 TYR CB C 15 37.370 37.370 41.211 -3.841 25783 1509 1 20 . 1 1 15 15 TYR H H 15 8.232 8.232 7.670 0.562 25783 1510 1 20 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.735 -0.538 25783 1511 1 20 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.729 -4.265 25783 1512 1 20 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.239 -2.211 25783 1513 1 20 . 1 1 16 16 TRP H H 16 8.641 8.641 9.139 -0.498 25783 1514 1 20 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.949 -0.654 25783 1515 1 20 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.324 -2.596 25783 1516 1 20 . 1 1 17 17 ASP CB C 17 37.014 37.014 43.242 -6.228 25783 1517 1 20 . 1 1 17 17 ASP H H 17 7.381 7.381 8.798 -1.417 25783 1518 1 20 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.532 -1.111 25783 1519 1 20 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.267 -1.724 25783 1520 1 20 . 1 1 18 18 GLN CB C 18 26.467 26.467 30.136 -3.669 25783 1521 1 20 . 1 1 18 18 GLN H H 18 7.690 7.690 8.541 -0.851 25783 1522 1 20 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.203 0.272 25783 1523 1 20 . 1 1 19 19 HIS CA C 19 52.135 52.135 57.696 -5.561 25783 1524 1 20 . 1 1 19 19 HIS CB C 19 26.464 26.464 28.756 -2.292 25783 1525 1 20 . 1 1 19 19 HIS H H 19 8.232 8.232 8.171 0.061 25783 1526 1 20 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.231 0.190 25783 1527 1 20 . 1 1 20 20 ALA CA C 20 47.918 47.918 51.962 -4.044 25783 1528 1 20 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.256 -3.043 25783 1529 1 20 . 1 1 20 20 ALA H H 20 8.285 8.285 8.632 -0.347 25783 1530 1 20 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.445 -0.154 25783 1531 1 20 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.537 -2.169 25783 1532 1 20 . 1 1 21 21 PRO CB C 21 29.244 29.244 32.295 -3.051 25783 1533 1 20 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.609 -0.465 25783 1534 1 20 . 1 1 22 22 LEU CA C 22 52.327 52.327 55.027 -2.700 25783 1535 1 20 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.015 -2.403 25783 1536 1 20 . 1 1 22 22 LEU H H 22 8.178 8.178 7.935 0.243 25783 1537 1 20 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.476 -0.276 25783 1538 1 20 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.218 -2.739 25783 1539 1 20 . 1 1 23 23 ALA CB C 23 16.576 16.576 17.284 -0.708 25783 1540 1 20 . 1 1 23 23 ALA H H 23 8.121 8.121 8.435 -0.314 25783 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 25783 2 1 1 "Average Difference" HA 24 0.468 0.244 0.408 25783 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25783 4 1 1 "Average Difference" CA 18 2.687 2.600 0.697 25783 5 1 1 "Average Difference" CB 20 3.248 3.058 1.123 25783 6 1 1 "Average Difference" HN 19 0.633 0.179 0.624 25783 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25783 8 1 2 "Average Difference" HA 24 0.499 0.266 0.432 25783 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25783 10 1 2 "Average Difference" CA 18 2.759 2.573 1.026 25783 11 1 2 "Average Difference" CB 20 3.460 3.142 1.484 25783 12 1 2 "Average Difference" HN 19 0.664 0.153 0.664 25783 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25783 14 1 3 "Average Difference" HA 24 0.482 0.241 0.426 25783 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25783 16 1 3 "Average Difference" CA 18 2.828 2.487 1.384 25783 17 1 3 "Average Difference" CB 20 3.323 3.106 1.211 25783 18 1 3 "Average Difference" HN 19 0.616 0.115 0.622 25783 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25783 20 1 4 "Average Difference" HA 24 0.451 0.241 0.389 25783 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25783 22 1 4 "Average Difference" CA 18 2.782 2.574 1.084 25783 23 1 4 "Average Difference" CB 20 3.464 2.999 1.778 25783 24 1 4 "Average Difference" HN 19 0.572 0.219 0.543 25783 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25783 26 1 5 "Average Difference" HA 24 0.445 0.156 0.426 25783 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25783 28 1 5 "Average Difference" CA 18 2.909 2.658 1.216 25783 29 1 5 "Average Difference" CB 20 3.357 3.103 1.314 25783 30 1 5 "Average Difference" HN 19 0.719 0.090 0.733 25783 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25783 32 1 6 "Average Difference" HA 24 0.512 0.183 0.488 25783 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25783 34 1 6 "Average Difference" CA 18 2.524 2.371 0.890 25783 35 1 6 "Average Difference" CB 20 3.501 3.180 1.501 25783 36 1 6 "Average Difference" HN 19 0.606 0.147 0.604 25783 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25783 38 1 7 "Average Difference" HA 24 0.433 0.168 0.408 25783 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25783 40 1 7 "Average Difference" CA 18 2.793 2.578 1.105 25783 41 1 7 "Average Difference" CB 20 3.251 2.974 1.348 25783 42 1 7 "Average Difference" HN 19 0.641 0.110 0.649 25783 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25783 44 1 8 "Average Difference" HA 24 0.432 0.172 0.405 25783 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25783 46 1 8 "Average Difference" CA 18 2.668 2.509 0.931 25783 47 1 8 "Average Difference" CB 20 3.234 3.027 1.169 25783 48 1 8 "Average Difference" HN 19 0.620 0.181 0.610 25783 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25783 50 1 9 "Average Difference" HA 24 0.412 0.216 0.359 25783 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25783 52 1 9 "Average Difference" CA 18 2.569 2.443 0.818 25783 53 1 9 "Average Difference" CB 20 3.425 3.176 1.316 25783 54 1 9 "Average Difference" HN 19 0.657 0.154 0.656 25783 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25783 56 1 10 "Average Difference" HA 24 0.447 0.201 0.408 25783 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25783 58 1 10 "Average Difference" CA 18 2.641 2.421 1.085 25783 59 1 10 "Average Difference" CB 20 3.368 3.040 1.487 25783 60 1 10 "Average Difference" HN 19 0.635 0.246 0.602 25783 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25783 62 1 11 "Average Difference" HA 24 0.519 0.273 0.452 25783 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25783 64 1 11 "Average Difference" CA 18 2.575 2.424 0.893 25783 65 1 11 "Average Difference" CB 20 3.448 3.257 1.161 25783 66 1 11 "Average Difference" HN 19 0.672 0.317 0.608 25783 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25783 68 1 12 "Average Difference" HA 24 0.502 0.210 0.466 25783 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25783 70 1 12 "Average Difference" CA 18 2.826 2.706 0.838 25783 71 1 12 "Average Difference" CB 20 3.375 3.061 1.459 25783 72 1 12 "Average Difference" HN 19 0.555 0.156 0.547 25783 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25783 74 1 13 "Average Difference" HA 24 0.431 0.203 0.389 25783 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25783 76 1 13 "Average Difference" CA 18 2.726 2.495 1.129 25783 77 1 13 "Average Difference" CB 20 3.466 3.242 1.257 25783 78 1 13 "Average Difference" HN 19 0.658 0.082 0.670 25783 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25783 80 1 14 "Average Difference" HA 24 0.433 0.167 0.408 25783 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25783 82 1 14 "Average Difference" CA 18 2.579 2.423 0.907 25783 83 1 14 "Average Difference" CB 20 3.336 3.097 1.272 25783 84 1 14 "Average Difference" HN 19 0.606 0.159 0.600 25783 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25783 86 1 15 "Average Difference" HA 24 0.461 0.158 0.442 25783 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25783 88 1 15 "Average Difference" CA 18 2.730 2.565 0.963 25783 89 1 15 "Average Difference" CB 20 3.399 3.018 1.606 25783 90 1 15 "Average Difference" HN 19 0.546 0.157 0.538 25783 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25783 92 1 16 "Average Difference" HA 24 0.421 0.154 0.400 25783 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25783 94 1 16 "Average Difference" CA 18 2.765 2.597 0.975 25783 95 1 16 "Average Difference" CB 20 2.779 2.402 1.434 25783 96 1 16 "Average Difference" HN 19 0.657 0.123 0.663 25783 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25783 98 1 17 "Average Difference" HA 24 0.442 0.187 0.409 25783 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25783 100 1 17 "Average Difference" CA 18 3.290 2.984 1.428 25783 101 1 17 "Average Difference" CB 20 3.535 3.350 1.156 25783 102 1 17 "Average Difference" HN 19 0.588 0.098 0.595 25783 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25783 104 1 18 "Average Difference" HA 24 0.447 0.091 0.448 25783 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25783 106 1 18 "Average Difference" CA 18 2.939 2.755 1.053 25783 107 1 18 "Average Difference" CB 20 3.011 2.721 1.324 25783 108 1 18 "Average Difference" HN 19 0.698 0.176 0.694 25783 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25783 110 1 19 "Average Difference" HA 24 0.504 0.094 0.506 25783 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25783 112 1 19 "Average Difference" CA 18 2.687 2.527 0.939 25783 113 1 19 "Average Difference" CB 20 3.098 2.813 1.330 25783 114 1 19 "Average Difference" HN 19 0.611 0.060 0.625 25783 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25783 116 1 20 "Average Difference" HA 24 0.456 0.179 0.428 25783 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25783 118 1 20 "Average Difference" CA 18 2.865 2.643 1.138 25783 119 1 20 "Average Difference" CB 20 3.302 3.061 1.270 25783 120 1 20 "Average Difference" HN 19 0.525 0.158 0.514 25783 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 25783 _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 PRO HA H 2 4.755 4.755 4.566 0.189 25783 2 1 . 1 1 2 2 PRO CB C 2 27.521 27.521 31.923 -4.402 25783 3 1 . 1 1 3 3 THR HA H 3 4.661 4.661 4.503 0.158 25783 4 1 . 1 1 3 3 THR CA C 3 58.119 58.119 59.456 -1.337 25783 5 1 . 1 1 3 3 THR CB C 3 67.067 67.067 69.415 -2.348 25783 6 1 . 1 1 3 3 THR H H 3 7.697 7.697 7.750 -0.053 25783 7 1 . 1 1 4 4 PRO HA H 4 4.163 4.163 4.419 -0.256 25783 8 1 . 1 1 4 4 PRO CA C 4 60.219 60.219 63.150 -2.931 25783 9 1 . 1 1 4 4 PRO CB C 4 28.224 28.224 32.030 -3.806 25783 10 1 . 1 1 5 5 MET HA H 5 4.630 4.630 4.436 0.194 25783 11 1 . 1 1 5 5 MET CB C 5 31.723 31.723 32.264 -0.541 25783 12 1 . 1 1 5 5 MET H H 5 7.527 7.527 7.550 -0.023 25783 13 1 . 1 1 6 6 VAL HA H 6 3.842 3.842 3.449 0.393 25783 14 1 . 1 1 6 6 VAL CA C 6 61.277 61.277 62.939 -1.662 25783 15 1 . 1 1 6 6 VAL CB C 6 29.281 29.281 31.627 -2.346 25783 16 1 . 1 1 6 6 VAL H H 6 8.442 8.442 8.407 0.035 25783 17 1 . 1 1 7 7 GLY CA C 7 42.283 42.283 44.826 -2.542 25783 18 1 . 1 1 7 7 GLY H H 7 8.267 8.267 7.960 0.307 25783 19 1 . 1 1 8 8 LEU HA H 8 4.086 4.086 4.439 -0.353 25783 20 1 . 1 1 8 8 LEU CA C 8 52.134 52.134 54.355 -2.221 25783 21 1 . 1 1 8 8 LEU CB C 8 39.958 39.958 43.112 -3.154 25783 22 1 . 1 1 8 8 LEU H H 8 6.472 6.472 7.959 -1.487 25783 23 1 . 1 1 9 9 ASP HA H 9 4.670 4.670 4.797 -0.127 25783 24 1 . 1 1 9 9 ASP CB C 9 39.699 39.699 42.969 -3.270 25783 25 1 . 1 1 9 9 ASP H H 9 8.401 8.401 8.391 0.010 25783 26 1 . 1 1 10 10 SER HA H 10 4.254 4.254 4.326 -0.072 25783 27 1 . 1 1 10 10 SER CA C 10 57.056 57.056 60.431 -3.375 25783 28 1 . 1 1 10 10 SER CB C 10 60.570 60.570 63.674 -3.103 25783 29 1 . 1 1 10 10 SER H H 10 9.124 9.124 8.851 0.273 25783 30 1 . 1 1 11 11 VAL HA H 11 4.084 4.084 4.179 -0.095 25783 31 1 . 1 1 11 11 VAL CA C 11 61.750 61.750 62.785 -1.035 25783 32 1 . 1 1 11 11 VAL CB C 11 30.568 30.568 33.501 -2.932 25783 33 1 . 1 1 11 11 VAL H H 11 8.901 8.901 8.190 0.711 25783 34 1 . 1 1 12 12 SER HA H 12 4.436 4.436 4.573 -0.137 25783 35 1 . 1 1 12 12 SER CA C 12 55.999 55.999 57.796 -1.797 25783 36 1 . 1 1 12 12 SER CB C 12 61.279 61.279 65.090 -3.811 25783 37 1 . 1 1 12 12 SER H H 12 7.699 7.699 8.082 -0.383 25783 38 1 . 1 1 13 13 GLY CA C 13 42.303 42.303 45.103 -2.800 25783 39 1 . 1 1 13 13 GLY H H 13 8.537 8.537 8.399 0.138 25783 40 1 . 1 1 14 14 GLN HA H 14 4.261 4.261 4.399 -0.138 25783 41 1 . 1 1 14 14 GLN CA C 14 53.044 53.044 55.820 -2.776 25783 42 1 . 1 1 14 14 GLN CB C 14 26.805 26.805 29.702 -2.897 25783 43 1 . 1 1 14 14 GLN H H 14 8.150 8.150 8.562 -0.412 25783 44 1 . 1 1 15 15 TYR HA H 15 4.934 4.934 4.828 0.106 25783 45 1 . 1 1 15 15 TYR CB C 15 37.370 37.370 40.313 -2.943 25783 46 1 . 1 1 15 15 TYR H H 15 8.232 8.232 7.709 0.523 25783 47 1 . 1 1 16 16 TRP HA H 16 4.197 4.197 4.845 -0.648 25783 48 1 . 1 1 16 16 TRP CA C 16 54.464 54.464 58.194 -3.730 25783 49 1 . 1 1 16 16 TRP CB C 16 28.028 28.028 30.077 -2.049 25783 50 1 . 1 1 16 16 TRP H H 16 8.641 8.641 9.004 -0.363 25783 51 1 . 1 1 17 17 ASP HA H 17 4.295 4.295 4.791 -0.496 25783 52 1 . 1 1 17 17 ASP CA C 17 50.728 50.728 53.461 -2.733 25783 53 1 . 1 1 17 17 ASP CB C 17 37.014 37.014 42.560 -5.546 25783 54 1 . 1 1 17 17 ASP H H 17 7.381 7.381 8.663 -1.282 25783 55 1 . 1 1 18 18 GLN HA H 18 3.421 3.421 4.446 -1.024 25783 56 1 . 1 1 18 18 GLN CA C 18 53.543 53.543 55.508 -1.965 25783 57 1 . 1 1 18 18 GLN CB C 18 26.467 26.467 29.515 -3.048 25783 58 1 . 1 1 18 18 GLN H H 18 7.690 7.690 8.464 -0.774 25783 59 1 . 1 1 19 19 HIS HA H 19 4.475 4.475 4.431 0.044 25783 60 1 . 1 1 19 19 HIS CA C 19 52.135 52.135 56.617 -4.482 25783 61 1 . 1 1 19 19 HIS CB C 19 26.464 26.464 29.862 -3.398 25783 62 1 . 1 1 19 19 HIS H H 19 8.232 8.232 8.186 0.046 25783 63 1 . 1 1 20 20 ALA HA H 20 4.421 4.421 4.447 -0.026 25783 64 1 . 1 1 20 20 ALA CA C 20 47.918 47.918 50.839 -2.921 25783 65 1 . 1 1 20 20 ALA CB C 20 15.213 15.213 18.981 -3.768 25783 66 1 . 1 1 20 20 ALA H H 20 8.285 8.285 8.214 0.070 25783 67 1 . 1 1 21 21 PRO HA H 21 4.291 4.291 4.512 -0.221 25783 68 1 . 1 1 21 21 PRO CA C 21 60.368 60.368 62.820 -2.452 25783 69 1 . 1 1 21 21 PRO CB C 21 29.244 29.244 31.648 -2.404 25783 70 1 . 1 1 22 22 LEU HA H 22 4.144 4.144 4.455 -0.311 25783 71 1 . 1 1 22 22 LEU CA C 22 52.327 52.327 54.997 -2.670 25783 72 1 . 1 1 22 22 LEU CB C 22 39.612 39.612 42.003 -2.391 25783 73 1 . 1 1 22 22 LEU H H 22 8.178 8.178 8.122 0.056 25783 74 1 . 1 1 23 23 ALA HA H 23 4.200 4.200 4.445 -0.245 25783 75 1 . 1 1 23 23 ALA CA C 23 49.479 49.479 52.250 -2.771 25783 76 1 . 1 1 23 23 ALA CB C 23 16.576 16.576 19.246 -2.670 25783 77 1 . 1 1 23 23 ALA H H 23 8.121 8.121 8.441 -0.320 25783 stop_ save_