data_25352 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25352 _Entry.PDB_ID 2MWR 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 25352 _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 TYR HA H 2 4.274 4.274 4.180 0.094 25352 2 1 1 . 1 1 2 2 TYR H H 2 7.749 7.749 7.447 0.302 25352 3 1 1 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.396 -0.088 25352 4 1 1 . 1 1 3 3 TRP H H 3 8.235 8.235 7.759 0.476 25352 5 1 1 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.152 0.409 25352 6 1 1 . 1 1 4 4 ILE H H 4 8.505 8.505 7.487 1.018 25352 7 1 1 . 1 1 5 5 ALA HA H 5 4.212 4.212 3.832 0.380 25352 8 1 1 . 1 1 5 5 ALA H H 5 8.059 8.059 7.651 0.408 25352 9 1 1 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.453 -0.082 25352 10 1 1 . 1 1 6 6 ASP H H 6 8.076 8.076 7.417 0.659 25352 11 1 1 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.917 -0.193 25352 12 1 1 . 1 1 7 7 GLN H H 7 8.055 8.055 7.458 0.597 25352 13 1 1 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.789 -0.237 25352 14 1 1 . 1 1 8 8 PHE H H 8 7.830 7.830 7.574 0.256 25352 15 1 1 . 1 1 9 9 GLY H H 9 7.864 7.864 8.693 -0.829 25352 16 1 1 . 1 1 10 10 ILE HA H 10 4.087 4.087 3.885 0.202 25352 17 1 1 . 1 1 10 10 ILE H H 10 7.621 7.621 7.286 0.335 25352 18 1 1 . 1 1 11 11 HIS H H 11 8.202 8.202 8.311 -0.109 25352 19 1 1 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.226 0.221 25352 20 1 1 . 1 1 12 12 LEU H H 12 8.123 8.123 7.872 0.251 25352 21 1 1 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.489 -0.062 25352 22 1 1 . 1 1 13 13 ALA H H 13 8.260 8.260 8.068 0.192 25352 23 1 1 . 1 1 14 14 THR HA H 14 3.990 3.990 4.103 -0.113 25352 24 1 1 . 1 1 14 14 THR H H 14 8.536 8.536 8.436 0.100 25352 25 1 1 . 1 1 15 15 GLY H H 15 8.295 8.295 7.720 0.575 25352 26 1 1 . 1 1 16 16 THR HA H 16 3.898 3.898 4.475 -0.577 25352 27 1 1 . 1 1 16 16 THR H H 16 7.981 7.981 7.939 0.042 25352 28 1 1 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.218 -0.229 25352 29 1 1 . 1 1 17 17 ALA H H 17 8.538 8.538 8.466 0.072 25352 30 1 1 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.157 -0.224 25352 31 1 1 . 1 1 18 18 ARG H H 18 7.905 7.905 8.723 -0.818 25352 32 1 1 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.088 0.038 25352 33 1 1 . 1 1 19 19 LYS H H 19 7.745 7.745 7.988 -0.243 25352 34 1 1 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.136 -0.005 25352 35 1 1 . 1 1 20 20 LEU H H 20 7.926 7.926 7.519 0.407 25352 36 1 1 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.032 -0.045 25352 37 1 1 . 1 1 21 21 LEU H H 21 8.168 8.168 8.475 -0.307 25352 38 1 1 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.689 -0.283 25352 39 1 1 . 1 1 22 22 ASP H H 22 8.359 8.359 7.748 0.611 25352 40 1 1 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.470 -0.239 25352 41 1 1 . 1 1 23 23 ALA H H 23 7.772 7.772 7.978 -0.206 25352 42 1 1 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.033 -0.073 25352 43 1 1 . 1 1 24 24 VAL H H 24 7.992 7.992 8.688 -0.696 25352 44 1 1 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.553 -0.273 25352 45 1 1 . 1 1 25 25 ALA H H 25 8.314 8.314 7.698 0.616 25352 46 1 1 . 1 1 26 26 SER HA H 26 4.391 4.391 4.170 0.221 25352 47 1 1 . 1 1 26 26 SER H H 26 7.919 7.919 8.360 -0.441 25352 48 1 1 . 1 1 27 27 GLY H H 27 8.225 8.225 7.727 0.498 25352 49 1 1 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.751 -0.381 25352 50 1 1 . 1 1 28 28 ALA H H 28 8.043 8.043 7.507 0.536 25352 51 1 1 . 1 1 29 29 SER HA H 29 4.524 4.524 4.394 0.130 25352 52 1 1 . 1 1 29 29 SER H H 29 8.207 8.207 8.857 -0.650 25352 53 1 1 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.492 -0.256 25352 54 1 1 . 1 1 30 30 LEU H H 30 8.232 8.232 8.680 -0.448 25352 55 1 1 . 1 1 31 31 GLY H H 31 8.404 8.404 8.612 -0.208 25352 56 1 1 . 1 1 32 32 THR HA H 32 4.113 4.113 4.424 -0.311 25352 57 1 1 . 1 1 32 32 THR H H 32 7.953 7.953 7.724 0.229 25352 58 1 1 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.240 -0.045 25352 59 1 1 . 1 1 33 33 ALA H H 33 8.059 8.059 8.297 -0.238 25352 60 1 1 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.342 -0.000 25352 61 1 1 . 1 1 34 34 PHE H H 34 8.243 8.243 8.187 0.056 25352 62 1 1 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.225 -0.240 25352 63 1 1 . 1 1 35 35 ALA H H 35 7.952 7.952 8.311 -0.359 25352 64 1 1 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.172 -0.002 25352 65 1 1 . 1 1 36 36 ALA H H 36 7.799 7.799 7.684 0.115 25352 66 1 1 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.220 -0.303 25352 67 1 1 . 1 1 37 37 ILE H H 37 7.795 7.795 7.143 0.652 25352 68 1 1 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.368 -0.231 25352 69 1 1 . 1 1 38 38 LEU H H 38 7.644 7.644 7.661 -0.017 25352 70 1 1 . 1 1 39 39 GLY H H 39 7.839 7.839 7.637 0.202 25352 71 1 1 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.812 0.426 25352 72 1 1 . 1 1 40 40 VAL H H 40 7.352 7.352 7.699 -0.347 25352 73 1 1 . 1 1 41 41 THR HA H 41 4.393 4.393 4.217 0.176 25352 74 1 1 . 1 1 41 41 THR H H 41 7.981 7.981 7.442 0.539 25352 75 1 1 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.578 -0.265 25352 76 1 1 . 1 1 42 42 LEU H H 42 8.320 8.320 7.353 0.967 25352 77 1 1 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.448 -0.067 25352 78 1 1 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.402 -0.412 25352 79 1 1 . 1 1 44 44 ALA H H 44 8.649 8.649 8.343 0.306 25352 80 1 1 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.749 -0.279 25352 81 1 1 . 1 1 45 45 TRP H H 45 7.594 7.594 7.864 -0.270 25352 82 1 1 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.420 0.473 25352 83 1 1 . 1 1 46 46 ALA H H 46 6.722 6.722 7.393 -0.671 25352 84 1 1 . 1 1 47 47 LEU HA H 47 3.983 3.983 4.002 -0.019 25352 85 1 1 . 1 1 47 47 LEU H H 47 7.313 7.313 8.103 -0.790 25352 86 1 1 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.181 0.001 25352 87 1 1 . 1 1 48 48 ALA H H 48 7.949 7.949 7.742 0.207 25352 88 1 1 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.122 0.053 25352 89 1 1 . 1 1 49 49 ALA H H 49 8.047 8.047 8.102 -0.055 25352 90 1 1 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.045 -0.037 25352 91 1 1 . 1 1 50 50 ALA H H 50 8.110 8.110 7.735 0.375 25352 92 1 1 . 1 1 51 51 GLY H H 51 8.130 8.130 7.979 0.151 25352 93 1 1 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.181 -0.168 25352 94 1 1 . 1 1 52 52 ALA H H 52 7.919 7.919 7.484 0.435 25352 95 1 1 . 1 1 54 54 GLY H H 54 8.225 8.225 8.749 -0.524 25352 96 1 1 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.570 -0.349 25352 97 1 1 . 1 1 55 55 ALA H H 55 8.042 8.042 7.774 0.268 25352 98 1 1 . 1 1 56 56 THR HA H 56 4.120 4.120 4.174 -0.054 25352 99 1 1 . 1 1 56 56 THR H H 56 7.890 7.890 8.097 -0.207 25352 100 1 1 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.541 -0.157 25352 101 1 1 . 1 1 57 57 ALA H H 57 8.158 8.158 8.201 -0.043 25352 102 1 2 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.183 0.091 25352 103 1 2 . 1 1 2 2 TYR H H 2 7.749 7.749 7.550 0.199 25352 104 1 2 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.504 -0.196 25352 105 1 2 . 1 1 3 3 TRP H H 3 8.235 8.235 8.229 0.006 25352 106 1 2 . 1 1 4 4 ILE HA H 4 3.561 3.561 4.104 -0.543 25352 107 1 2 . 1 1 4 4 ILE H H 4 8.505 8.505 8.001 0.504 25352 108 1 2 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.306 -0.094 25352 109 1 2 . 1 1 5 5 ALA H H 5 8.059 8.059 8.036 0.023 25352 110 1 2 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.496 -0.125 25352 111 1 2 . 1 1 6 6 ASP H H 6 8.076 8.076 7.823 0.253 25352 112 1 2 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.804 -0.080 25352 113 1 2 . 1 1 7 7 GLN H H 7 8.055 8.055 7.560 0.495 25352 114 1 2 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.407 0.145 25352 115 1 2 . 1 1 8 8 PHE H H 8 7.830 7.830 7.813 0.017 25352 116 1 2 . 1 1 9 9 GLY H H 9 7.864 7.864 8.761 -0.897 25352 117 1 2 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.313 -0.226 25352 118 1 2 . 1 1 10 10 ILE H H 10 7.621 7.621 7.854 -0.233 25352 119 1 2 . 1 1 11 11 HIS H H 11 8.202 8.202 8.278 -0.076 25352 120 1 2 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.104 0.343 25352 121 1 2 . 1 1 12 12 LEU H H 12 8.123 8.123 7.675 0.448 25352 122 1 2 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.093 0.334 25352 123 1 2 . 1 1 13 13 ALA H H 13 8.260 8.260 8.252 0.008 25352 124 1 2 . 1 1 14 14 THR HA H 14 3.990 3.990 4.091 -0.101 25352 125 1 2 . 1 1 14 14 THR H H 14 8.536 8.536 8.037 0.499 25352 126 1 2 . 1 1 15 15 GLY H H 15 8.295 8.295 7.659 0.636 25352 127 1 2 . 1 1 16 16 THR HA H 16 3.898 3.898 4.121 -0.223 25352 128 1 2 . 1 1 16 16 THR H H 16 7.981 7.981 7.964 0.017 25352 129 1 2 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.475 -0.486 25352 130 1 2 . 1 1 17 17 ALA H H 17 8.538 8.538 8.090 0.448 25352 131 1 2 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.169 -0.236 25352 132 1 2 . 1 1 18 18 ARG H H 18 7.905 7.905 8.772 -0.867 25352 133 1 2 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.090 0.036 25352 134 1 2 . 1 1 19 19 LYS H H 19 7.745 7.745 8.362 -0.617 25352 135 1 2 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.134 -0.003 25352 136 1 2 . 1 1 20 20 LEU H H 20 7.926 7.926 7.356 0.570 25352 137 1 2 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.040 -0.053 25352 138 1 2 . 1 1 21 21 LEU H H 21 8.168 8.168 7.929 0.239 25352 139 1 2 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.677 -0.271 25352 140 1 2 . 1 1 22 22 ASP H H 22 8.359 8.359 7.722 0.637 25352 141 1 2 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.511 -0.281 25352 142 1 2 . 1 1 23 23 ALA H H 23 7.772 7.772 8.098 -0.326 25352 143 1 2 . 1 1 24 24 VAL HA H 24 3.960 3.960 3.990 -0.030 25352 144 1 2 . 1 1 24 24 VAL H H 24 7.992 7.992 8.716 -0.724 25352 145 1 2 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.503 -0.223 25352 146 1 2 . 1 1 25 25 ALA H H 25 8.314 8.314 7.568 0.746 25352 147 1 2 . 1 1 26 26 SER HA H 26 4.391 4.391 4.190 0.201 25352 148 1 2 . 1 1 26 26 SER H H 26 7.919 7.919 8.162 -0.243 25352 149 1 2 . 1 1 27 27 GLY H H 27 8.225 8.225 7.678 0.547 25352 150 1 2 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.704 -0.334 25352 151 1 2 . 1 1 28 28 ALA H H 28 8.043 8.043 7.572 0.471 25352 152 1 2 . 1 1 29 29 SER HA H 29 4.524 4.524 4.360 0.164 25352 153 1 2 . 1 1 29 29 SER H H 29 8.207 8.207 8.805 -0.598 25352 154 1 2 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.521 -0.285 25352 155 1 2 . 1 1 30 30 LEU H H 30 8.232 8.232 8.468 -0.236 25352 156 1 2 . 1 1 31 31 GLY H H 31 8.404 8.404 8.167 0.237 25352 157 1 2 . 1 1 32 32 THR HA H 32 4.113 4.113 4.359 -0.246 25352 158 1 2 . 1 1 32 32 THR H H 32 7.953 7.953 7.811 0.142 25352 159 1 2 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.172 0.023 25352 160 1 2 . 1 1 33 33 ALA H H 33 8.059 8.059 8.192 -0.133 25352 161 1 2 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.311 0.031 25352 162 1 2 . 1 1 34 34 PHE H H 34 8.243 8.243 8.168 0.075 25352 163 1 2 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.165 -0.180 25352 164 1 2 . 1 1 35 35 ALA H H 35 7.952 7.952 7.966 -0.014 25352 165 1 2 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.288 -0.118 25352 166 1 2 . 1 1 36 36 ALA H H 36 7.799 7.799 7.532 0.267 25352 167 1 2 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.067 -0.150 25352 168 1 2 . 1 1 37 37 ILE H H 37 7.795 7.795 6.894 0.901 25352 169 1 2 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.270 -0.133 25352 170 1 2 . 1 1 38 38 LEU H H 38 7.644 7.644 7.896 -0.252 25352 171 1 2 . 1 1 39 39 GLY H H 39 7.839 7.839 7.291 0.548 25352 172 1 2 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.820 0.418 25352 173 1 2 . 1 1 40 40 VAL H H 40 7.352 7.352 7.457 -0.105 25352 174 1 2 . 1 1 41 41 THR HA H 41 4.393 4.393 4.270 0.123 25352 175 1 2 . 1 1 41 41 THR H H 41 7.981 7.981 7.415 0.566 25352 176 1 2 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.517 -0.204 25352 177 1 2 . 1 1 42 42 LEU H H 42 8.320 8.320 7.302 1.018 25352 178 1 2 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.430 -0.049 25352 179 1 2 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.383 -0.393 25352 180 1 2 . 1 1 44 44 ALA H H 44 8.649 8.649 8.300 0.349 25352 181 1 2 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.750 -0.280 25352 182 1 2 . 1 1 45 45 TRP H H 45 7.594 7.594 7.756 -0.162 25352 183 1 2 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.319 0.574 25352 184 1 2 . 1 1 46 46 ALA H H 46 6.722 6.722 7.396 -0.674 25352 185 1 2 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.919 0.064 25352 186 1 2 . 1 1 47 47 LEU H H 47 7.313 7.313 8.270 -0.957 25352 187 1 2 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.252 -0.070 25352 188 1 2 . 1 1 48 48 ALA H H 48 7.949 7.949 7.559 0.390 25352 189 1 2 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.149 0.026 25352 190 1 2 . 1 1 49 49 ALA H H 49 8.047 8.047 8.539 -0.492 25352 191 1 2 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.056 -0.048 25352 192 1 2 . 1 1 50 50 ALA H H 50 8.110 8.110 7.683 0.427 25352 193 1 2 . 1 1 51 51 GLY H H 51 8.130 8.130 7.773 0.357 25352 194 1 2 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.562 -0.549 25352 195 1 2 . 1 1 52 52 ALA H H 52 7.919 7.919 7.794 0.125 25352 196 1 2 . 1 1 54 54 GLY H H 54 8.225 8.225 8.833 -0.608 25352 197 1 2 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.315 -0.094 25352 198 1 2 . 1 1 55 55 ALA H H 55 8.042 8.042 7.724 0.318 25352 199 1 2 . 1 1 56 56 THR HA H 56 4.120 4.120 4.342 -0.222 25352 200 1 2 . 1 1 56 56 THR H H 56 7.890 7.890 8.621 -0.731 25352 201 1 2 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.636 -0.252 25352 202 1 2 . 1 1 57 57 ALA H H 57 8.158 8.158 8.271 -0.113 25352 203 1 3 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.189 0.085 25352 204 1 3 . 1 1 2 2 TYR H H 2 7.749 7.749 7.272 0.477 25352 205 1 3 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.478 -0.170 25352 206 1 3 . 1 1 3 3 TRP H H 3 8.235 8.235 8.409 -0.174 25352 207 1 3 . 1 1 4 4 ILE HA H 4 3.561 3.561 4.057 -0.496 25352 208 1 3 . 1 1 4 4 ILE H H 4 8.505 8.505 7.708 0.797 25352 209 1 3 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.177 0.035 25352 210 1 3 . 1 1 5 5 ALA H H 5 8.059 8.059 7.783 0.276 25352 211 1 3 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.562 -0.191 25352 212 1 3 . 1 1 6 6 ASP H H 6 8.076 8.076 7.725 0.351 25352 213 1 3 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.792 -0.068 25352 214 1 3 . 1 1 7 7 GLN H H 7 8.055 8.055 7.749 0.306 25352 215 1 3 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.378 0.174 25352 216 1 3 . 1 1 8 8 PHE H H 8 7.830 7.830 7.751 0.079 25352 217 1 3 . 1 1 9 9 GLY H H 9 7.864 7.864 8.759 -0.895 25352 218 1 3 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.348 -0.261 25352 219 1 3 . 1 1 10 10 ILE H H 10 7.621 7.621 7.800 -0.179 25352 220 1 3 . 1 1 11 11 HIS H H 11 8.202 8.202 8.387 -0.185 25352 221 1 3 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.279 0.168 25352 222 1 3 . 1 1 12 12 LEU H H 12 8.123 8.123 7.353 0.770 25352 223 1 3 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.268 0.159 25352 224 1 3 . 1 1 13 13 ALA H H 13 8.260 8.260 8.184 0.076 25352 225 1 3 . 1 1 14 14 THR HA H 14 3.990 3.990 4.420 -0.430 25352 226 1 3 . 1 1 14 14 THR H H 14 8.536 8.536 8.327 0.209 25352 227 1 3 . 1 1 15 15 GLY H H 15 8.295 8.295 7.761 0.534 25352 228 1 3 . 1 1 16 16 THR HA H 16 3.898 3.898 4.187 -0.289 25352 229 1 3 . 1 1 16 16 THR H H 16 7.981 7.981 7.937 0.044 25352 230 1 3 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.462 -0.473 25352 231 1 3 . 1 1 17 17 ALA H H 17 8.538 8.538 8.087 0.451 25352 232 1 3 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.150 -0.217 25352 233 1 3 . 1 1 18 18 ARG H H 18 7.905 7.905 8.834 -0.929 25352 234 1 3 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.120 0.006 25352 235 1 3 . 1 1 19 19 LYS H H 19 7.745 7.745 8.300 -0.555 25352 236 1 3 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.155 -0.024 25352 237 1 3 . 1 1 20 20 LEU H H 20 7.926 7.926 7.600 0.326 25352 238 1 3 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.017 -0.030 25352 239 1 3 . 1 1 21 21 LEU H H 21 8.168 8.168 7.965 0.203 25352 240 1 3 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.684 -0.278 25352 241 1 3 . 1 1 22 22 ASP H H 22 8.359 8.359 7.592 0.767 25352 242 1 3 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.515 -0.284 25352 243 1 3 . 1 1 23 23 ALA H H 23 7.772 7.772 7.966 -0.194 25352 244 1 3 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.106 -0.146 25352 245 1 3 . 1 1 24 24 VAL H H 24 7.992 7.992 8.727 -0.735 25352 246 1 3 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.571 -0.291 25352 247 1 3 . 1 1 25 25 ALA H H 25 8.314 8.314 7.568 0.746 25352 248 1 3 . 1 1 26 26 SER HA H 26 4.391 4.391 4.153 0.238 25352 249 1 3 . 1 1 26 26 SER H H 26 7.919 7.919 8.257 -0.338 25352 250 1 3 . 1 1 27 27 GLY H H 27 8.225 8.225 7.762 0.463 25352 251 1 3 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.758 -0.388 25352 252 1 3 . 1 1 28 28 ALA H H 28 8.043 8.043 7.562 0.481 25352 253 1 3 . 1 1 29 29 SER HA H 29 4.524 4.524 4.312 0.212 25352 254 1 3 . 1 1 29 29 SER H H 29 8.207 8.207 8.827 -0.620 25352 255 1 3 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.447 -0.211 25352 256 1 3 . 1 1 30 30 LEU H H 30 8.232 8.232 8.533 -0.301 25352 257 1 3 . 1 1 31 31 GLY H H 31 8.404 8.404 8.128 0.276 25352 258 1 3 . 1 1 32 32 THR HA H 32 4.113 4.113 4.374 -0.261 25352 259 1 3 . 1 1 32 32 THR H H 32 7.953 7.953 7.941 0.012 25352 260 1 3 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.204 -0.009 25352 261 1 3 . 1 1 33 33 ALA H H 33 8.059 8.059 8.297 -0.238 25352 262 1 3 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.282 0.060 25352 263 1 3 . 1 1 34 34 PHE H H 34 8.243 8.243 8.175 0.068 25352 264 1 3 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.065 -0.080 25352 265 1 3 . 1 1 35 35 ALA H H 35 7.952 7.952 8.084 -0.132 25352 266 1 3 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.204 -0.034 25352 267 1 3 . 1 1 36 36 ALA H H 36 7.799 7.799 7.386 0.413 25352 268 1 3 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.158 -0.241 25352 269 1 3 . 1 1 37 37 ILE H H 37 7.795 7.795 7.130 0.665 25352 270 1 3 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.176 -0.039 25352 271 1 3 . 1 1 38 38 LEU H H 38 7.644 7.644 7.863 -0.219 25352 272 1 3 . 1 1 39 39 GLY H H 39 7.839 7.839 7.265 0.574 25352 273 1 3 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.819 0.419 25352 274 1 3 . 1 1 40 40 VAL H H 40 7.352 7.352 7.424 -0.072 25352 275 1 3 . 1 1 41 41 THR HA H 41 4.393 4.393 4.297 0.096 25352 276 1 3 . 1 1 41 41 THR H H 41 7.981 7.981 7.430 0.551 25352 277 1 3 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.553 -0.240 25352 278 1 3 . 1 1 42 42 LEU H H 42 8.320 8.320 7.319 1.001 25352 279 1 3 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.439 -0.058 25352 280 1 3 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.397 -0.407 25352 281 1 3 . 1 1 44 44 ALA H H 44 8.649 8.649 8.329 0.320 25352 282 1 3 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.789 -0.319 25352 283 1 3 . 1 1 45 45 TRP H H 45 7.594 7.594 7.723 -0.129 25352 284 1 3 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.408 0.485 25352 285 1 3 . 1 1 46 46 ALA H H 46 6.722 6.722 7.321 -0.599 25352 286 1 3 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.870 0.113 25352 287 1 3 . 1 1 47 47 LEU H H 47 7.313 7.313 8.105 -0.792 25352 288 1 3 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.090 0.092 25352 289 1 3 . 1 1 48 48 ALA H H 48 7.949 7.949 8.232 -0.283 25352 290 1 3 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.113 0.062 25352 291 1 3 . 1 1 49 49 ALA H H 49 8.047 8.047 7.822 0.225 25352 292 1 3 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.300 -0.292 25352 293 1 3 . 1 1 50 50 ALA H H 50 8.110 8.110 7.482 0.628 25352 294 1 3 . 1 1 51 51 GLY H H 51 8.130 8.130 7.713 0.417 25352 295 1 3 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.601 -0.588 25352 296 1 3 . 1 1 52 52 ALA H H 52 7.919 7.919 7.621 0.298 25352 297 1 3 . 1 1 54 54 GLY H H 54 8.225 8.225 8.749 -0.524 25352 298 1 3 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.490 -0.269 25352 299 1 3 . 1 1 55 55 ALA H H 55 8.042 8.042 7.732 0.310 25352 300 1 3 . 1 1 56 56 THR HA H 56 4.120 4.120 4.244 -0.124 25352 301 1 3 . 1 1 56 56 THR H H 56 7.890 7.890 7.589 0.301 25352 302 1 3 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.592 -0.208 25352 303 1 3 . 1 1 57 57 ALA H H 57 8.158 8.158 8.388 -0.230 25352 304 1 4 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.194 0.080 25352 305 1 4 . 1 1 2 2 TYR H H 2 7.749 7.749 8.099 -0.350 25352 306 1 4 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.498 -0.190 25352 307 1 4 . 1 1 3 3 TRP H H 3 8.235 8.235 7.919 0.316 25352 308 1 4 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.927 -0.366 25352 309 1 4 . 1 1 4 4 ILE H H 4 8.505 8.505 7.861 0.644 25352 310 1 4 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.128 0.084 25352 311 1 4 . 1 1 5 5 ALA H H 5 8.059 8.059 7.986 0.073 25352 312 1 4 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.557 -0.186 25352 313 1 4 . 1 1 6 6 ASP H H 6 8.076 8.076 7.580 0.496 25352 314 1 4 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.813 -0.089 25352 315 1 4 . 1 1 7 7 GLN H H 7 8.055 8.055 7.742 0.313 25352 316 1 4 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.374 0.178 25352 317 1 4 . 1 1 8 8 PHE H H 8 7.830 7.830 7.758 0.072 25352 318 1 4 . 1 1 9 9 GLY H H 9 7.864 7.864 8.695 -0.831 25352 319 1 4 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.370 -0.283 25352 320 1 4 . 1 1 10 10 ILE H H 10 7.621 7.621 7.668 -0.047 25352 321 1 4 . 1 1 11 11 HIS H H 11 8.202 8.202 8.311 -0.109 25352 322 1 4 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.189 0.258 25352 323 1 4 . 1 1 12 12 LEU H H 12 8.123 8.123 7.451 0.672 25352 324 1 4 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.198 0.229 25352 325 1 4 . 1 1 13 13 ALA H H 13 8.260 8.260 8.253 0.007 25352 326 1 4 . 1 1 14 14 THR HA H 14 3.990 3.990 4.345 -0.355 25352 327 1 4 . 1 1 14 14 THR H H 14 8.536 8.536 8.179 0.357 25352 328 1 4 . 1 1 15 15 GLY H H 15 8.295 8.295 7.863 0.432 25352 329 1 4 . 1 1 16 16 THR HA H 16 3.898 3.898 4.184 -0.286 25352 330 1 4 . 1 1 16 16 THR H H 16 7.981 7.981 7.932 0.049 25352 331 1 4 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.427 -0.438 25352 332 1 4 . 1 1 17 17 ALA H H 17 8.538 8.538 7.733 0.805 25352 333 1 4 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.102 -0.169 25352 334 1 4 . 1 1 18 18 ARG H H 18 7.905 7.905 8.698 -0.793 25352 335 1 4 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.107 0.019 25352 336 1 4 . 1 1 19 19 LYS H H 19 7.745 7.745 8.281 -0.536 25352 337 1 4 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.161 -0.030 25352 338 1 4 . 1 1 20 20 LEU H H 20 7.926 7.926 7.573 0.353 25352 339 1 4 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.035 -0.048 25352 340 1 4 . 1 1 21 21 LEU H H 21 8.168 8.168 8.222 -0.054 25352 341 1 4 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.696 -0.290 25352 342 1 4 . 1 1 22 22 ASP H H 22 8.359 8.359 7.712 0.647 25352 343 1 4 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.574 -0.343 25352 344 1 4 . 1 1 23 23 ALA H H 23 7.772 7.772 7.868 -0.096 25352 345 1 4 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.074 -0.114 25352 346 1 4 . 1 1 24 24 VAL H H 24 7.992 7.992 8.539 -0.547 25352 347 1 4 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.454 -0.174 25352 348 1 4 . 1 1 25 25 ALA H H 25 8.314 8.314 7.569 0.745 25352 349 1 4 . 1 1 26 26 SER HA H 26 4.391 4.391 4.175 0.216 25352 350 1 4 . 1 1 26 26 SER H H 26 7.919 7.919 8.242 -0.323 25352 351 1 4 . 1 1 27 27 GLY H H 27 8.225 8.225 7.620 0.605 25352 352 1 4 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.702 -0.332 25352 353 1 4 . 1 1 28 28 ALA H H 28 8.043 8.043 7.561 0.482 25352 354 1 4 . 1 1 29 29 SER HA H 29 4.524 4.524 4.331 0.193 25352 355 1 4 . 1 1 29 29 SER H H 29 8.207 8.207 8.767 -0.560 25352 356 1 4 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.457 -0.221 25352 357 1 4 . 1 1 30 30 LEU H H 30 8.232 8.232 8.297 -0.065 25352 358 1 4 . 1 1 31 31 GLY H H 31 8.404 8.404 8.103 0.301 25352 359 1 4 . 1 1 32 32 THR HA H 32 4.113 4.113 4.357 -0.244 25352 360 1 4 . 1 1 32 32 THR H H 32 7.953 7.953 7.821 0.132 25352 361 1 4 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.188 0.007 25352 362 1 4 . 1 1 33 33 ALA H H 33 8.059 8.059 8.268 -0.209 25352 363 1 4 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.309 0.033 25352 364 1 4 . 1 1 34 34 PHE H H 34 8.243 8.243 8.165 0.078 25352 365 1 4 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.019 -0.034 25352 366 1 4 . 1 1 35 35 ALA H H 35 7.952 7.952 8.036 -0.084 25352 367 1 4 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.218 -0.048 25352 368 1 4 . 1 1 36 36 ALA H H 36 7.799 7.799 7.451 0.348 25352 369 1 4 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.184 -0.267 25352 370 1 4 . 1 1 37 37 ILE H H 37 7.795 7.795 7.147 0.648 25352 371 1 4 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.044 0.093 25352 372 1 4 . 1 1 38 38 LEU H H 38 7.644 7.644 7.917 -0.273 25352 373 1 4 . 1 1 39 39 GLY H H 39 7.839 7.839 7.180 0.659 25352 374 1 4 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.834 0.404 25352 375 1 4 . 1 1 40 40 VAL H H 40 7.352 7.352 7.752 -0.400 25352 376 1 4 . 1 1 41 41 THR HA H 41 4.393 4.393 4.308 0.085 25352 377 1 4 . 1 1 41 41 THR H H 41 7.981 7.981 7.506 0.475 25352 378 1 4 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.559 -0.246 25352 379 1 4 . 1 1 42 42 LEU H H 42 8.320 8.320 7.313 1.007 25352 380 1 4 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.449 -0.068 25352 381 1 4 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.395 -0.405 25352 382 1 4 . 1 1 44 44 ALA H H 44 8.649 8.649 8.291 0.358 25352 383 1 4 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.821 -0.351 25352 384 1 4 . 1 1 45 45 TRP H H 45 7.594 7.594 7.626 -0.032 25352 385 1 4 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.511 0.382 25352 386 1 4 . 1 1 46 46 ALA H H 46 6.722 6.722 7.461 -0.739 25352 387 1 4 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.960 0.023 25352 388 1 4 . 1 1 47 47 LEU H H 47 7.313 7.313 8.090 -0.777 25352 389 1 4 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.351 -0.169 25352 390 1 4 . 1 1 48 48 ALA H H 48 7.949 7.949 7.210 0.739 25352 391 1 4 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.365 -0.190 25352 392 1 4 . 1 1 49 49 ALA H H 49 8.047 8.047 8.239 -0.192 25352 393 1 4 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.484 -0.476 25352 394 1 4 . 1 1 50 50 ALA H H 50 8.110 8.110 7.415 0.695 25352 395 1 4 . 1 1 51 51 GLY H H 51 8.130 8.130 7.754 0.376 25352 396 1 4 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.467 -0.454 25352 397 1 4 . 1 1 52 52 ALA H H 52 7.919 7.919 7.784 0.135 25352 398 1 4 . 1 1 54 54 GLY H H 54 8.225 8.225 8.695 -0.470 25352 399 1 4 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.587 -0.366 25352 400 1 4 . 1 1 55 55 ALA H H 55 8.042 8.042 8.319 -0.277 25352 401 1 4 . 1 1 56 56 THR HA H 56 4.120 4.120 4.123 -0.003 25352 402 1 4 . 1 1 56 56 THR H H 56 7.890 7.890 8.267 -0.377 25352 403 1 4 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.234 0.150 25352 404 1 4 . 1 1 57 57 ALA H H 57 8.158 8.158 8.511 -0.353 25352 405 1 5 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.166 0.108 25352 406 1 5 . 1 1 2 2 TYR H H 2 7.749 7.749 8.016 -0.267 25352 407 1 5 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.380 -0.072 25352 408 1 5 . 1 1 3 3 TRP H H 3 8.235 8.235 7.580 0.655 25352 409 1 5 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.159 0.402 25352 410 1 5 . 1 1 4 4 ILE H H 4 8.505 8.505 7.819 0.686 25352 411 1 5 . 1 1 5 5 ALA HA H 5 4.212 4.212 3.818 0.394 25352 412 1 5 . 1 1 5 5 ALA H H 5 8.059 8.059 7.808 0.251 25352 413 1 5 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.467 -0.096 25352 414 1 5 . 1 1 6 6 ASP H H 6 8.076 8.076 7.667 0.409 25352 415 1 5 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.931 -0.207 25352 416 1 5 . 1 1 7 7 GLN H H 7 8.055 8.055 7.425 0.630 25352 417 1 5 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.838 -0.286 25352 418 1 5 . 1 1 8 8 PHE H H 8 7.830 7.830 7.611 0.219 25352 419 1 5 . 1 1 9 9 GLY H H 9 7.864 7.864 8.705 -0.841 25352 420 1 5 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.392 -0.305 25352 421 1 5 . 1 1 10 10 ILE H H 10 7.621 7.621 7.459 0.162 25352 422 1 5 . 1 1 11 11 HIS H H 11 8.202 8.202 8.312 -0.110 25352 423 1 5 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.210 0.237 25352 424 1 5 . 1 1 12 12 LEU H H 12 8.123 8.123 7.313 0.810 25352 425 1 5 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.194 0.233 25352 426 1 5 . 1 1 13 13 ALA H H 13 8.260 8.260 8.047 0.213 25352 427 1 5 . 1 1 14 14 THR HA H 14 3.990 3.990 4.322 -0.332 25352 428 1 5 . 1 1 14 14 THR H H 14 8.536 8.536 8.320 0.216 25352 429 1 5 . 1 1 15 15 GLY H H 15 8.295 8.295 7.841 0.454 25352 430 1 5 . 1 1 16 16 THR HA H 16 3.898 3.898 4.718 -0.820 25352 431 1 5 . 1 1 16 16 THR H H 16 7.981 7.981 7.836 0.145 25352 432 1 5 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.586 -0.597 25352 433 1 5 . 1 1 17 17 ALA H H 17 8.538 8.538 8.129 0.409 25352 434 1 5 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.211 -0.278 25352 435 1 5 . 1 1 18 18 ARG H H 18 7.905 7.905 8.808 -0.903 25352 436 1 5 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.143 -0.017 25352 437 1 5 . 1 1 19 19 LYS H H 19 7.745 7.745 8.277 -0.532 25352 438 1 5 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.142 -0.011 25352 439 1 5 . 1 1 20 20 LEU H H 20 7.926 7.926 7.658 0.268 25352 440 1 5 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.011 -0.024 25352 441 1 5 . 1 1 21 21 LEU H H 21 8.168 8.168 7.856 0.312 25352 442 1 5 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.679 -0.273 25352 443 1 5 . 1 1 22 22 ASP H H 22 8.359 8.359 7.572 0.787 25352 444 1 5 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.471 -0.240 25352 445 1 5 . 1 1 23 23 ALA H H 23 7.772 7.772 8.153 -0.381 25352 446 1 5 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.129 -0.169 25352 447 1 5 . 1 1 24 24 VAL H H 24 7.992 7.992 8.736 -0.744 25352 448 1 5 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.580 -0.300 25352 449 1 5 . 1 1 25 25 ALA H H 25 8.314 8.314 7.480 0.834 25352 450 1 5 . 1 1 26 26 SER HA H 26 4.391 4.391 4.197 0.194 25352 451 1 5 . 1 1 26 26 SER H H 26 7.919 7.919 8.253 -0.334 25352 452 1 5 . 1 1 27 27 GLY H H 27 8.225 8.225 7.773 0.452 25352 453 1 5 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.740 -0.370 25352 454 1 5 . 1 1 28 28 ALA H H 28 8.043 8.043 7.573 0.470 25352 455 1 5 . 1 1 29 29 SER HA H 29 4.524 4.524 4.338 0.186 25352 456 1 5 . 1 1 29 29 SER H H 29 8.207 8.207 8.826 -0.619 25352 457 1 5 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.517 -0.281 25352 458 1 5 . 1 1 30 30 LEU H H 30 8.232 8.232 8.828 -0.596 25352 459 1 5 . 1 1 31 31 GLY H H 31 8.404 8.404 8.617 -0.213 25352 460 1 5 . 1 1 32 32 THR HA H 32 4.113 4.113 4.236 -0.123 25352 461 1 5 . 1 1 32 32 THR H H 32 7.953 7.953 7.689 0.264 25352 462 1 5 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.214 -0.019 25352 463 1 5 . 1 1 33 33 ALA H H 33 8.059 8.059 8.283 -0.224 25352 464 1 5 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.272 0.070 25352 465 1 5 . 1 1 34 34 PHE H H 34 8.243 8.243 8.263 -0.020 25352 466 1 5 . 1 1 35 35 ALA HA H 35 3.985 3.985 3.974 0.011 25352 467 1 5 . 1 1 35 35 ALA H H 35 7.952 7.952 8.441 -0.489 25352 468 1 5 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.173 -0.003 25352 469 1 5 . 1 1 36 36 ALA H H 36 7.799 7.799 7.479 0.320 25352 470 1 5 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.122 -0.205 25352 471 1 5 . 1 1 37 37 ILE H H 37 7.795 7.795 7.230 0.565 25352 472 1 5 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.371 -0.234 25352 473 1 5 . 1 1 38 38 LEU H H 38 7.644 7.644 7.834 -0.190 25352 474 1 5 . 1 1 39 39 GLY H H 39 7.839 7.839 7.558 0.281 25352 475 1 5 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.779 0.459 25352 476 1 5 . 1 1 40 40 VAL H H 40 7.352 7.352 7.814 -0.462 25352 477 1 5 . 1 1 41 41 THR HA H 41 4.393 4.393 4.286 0.107 25352 478 1 5 . 1 1 41 41 THR H H 41 7.981 7.981 7.432 0.549 25352 479 1 5 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.572 -0.259 25352 480 1 5 . 1 1 42 42 LEU H H 42 8.320 8.320 7.338 0.982 25352 481 1 5 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.440 -0.059 25352 482 1 5 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.431 -0.441 25352 483 1 5 . 1 1 44 44 ALA H H 44 8.649 8.649 8.209 0.440 25352 484 1 5 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.752 -0.282 25352 485 1 5 . 1 1 45 45 TRP H H 45 7.594 7.594 7.728 -0.134 25352 486 1 5 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.615 0.278 25352 487 1 5 . 1 1 46 46 ALA H H 46 6.722 6.722 7.493 -0.771 25352 488 1 5 . 1 1 47 47 LEU HA H 47 3.983 3.983 4.139 -0.156 25352 489 1 5 . 1 1 47 47 LEU H H 47 7.313 7.313 7.984 -0.671 25352 490 1 5 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.485 -0.303 25352 491 1 5 . 1 1 48 48 ALA H H 48 7.949 7.949 7.733 0.216 25352 492 1 5 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.437 -0.262 25352 493 1 5 . 1 1 49 49 ALA H H 49 8.047 8.047 8.043 0.004 25352 494 1 5 . 1 1 50 50 ALA HA H 50 4.008 4.008 3.935 0.073 25352 495 1 5 . 1 1 50 50 ALA H H 50 8.110 8.110 7.734 0.376 25352 496 1 5 . 1 1 51 51 GLY H H 51 8.130 8.130 8.200 -0.070 25352 497 1 5 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.295 -0.282 25352 498 1 5 . 1 1 52 52 ALA H H 52 7.919 7.919 7.853 0.066 25352 499 1 5 . 1 1 54 54 GLY H H 54 8.225 8.225 8.150 0.075 25352 500 1 5 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.734 -0.513 25352 501 1 5 . 1 1 55 55 ALA H H 55 8.042 8.042 7.654 0.388 25352 502 1 5 . 1 1 56 56 THR HA H 56 4.120 4.120 4.131 -0.011 25352 503 1 5 . 1 1 56 56 THR H H 56 7.890 7.890 8.283 -0.393 25352 504 1 5 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.300 0.084 25352 505 1 5 . 1 1 57 57 ALA H H 57 8.158 8.158 8.376 -0.218 25352 506 1 6 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.297 -0.023 25352 507 1 6 . 1 1 2 2 TYR H H 2 7.749 7.749 7.854 -0.105 25352 508 1 6 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.405 -0.097 25352 509 1 6 . 1 1 3 3 TRP H H 3 8.235 8.235 8.194 0.041 25352 510 1 6 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.689 -0.128 25352 511 1 6 . 1 1 4 4 ILE H H 4 8.505 8.505 7.421 1.084 25352 512 1 6 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.328 -0.116 25352 513 1 6 . 1 1 5 5 ALA H H 5 8.059 8.059 7.496 0.563 25352 514 1 6 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.748 -0.377 25352 515 1 6 . 1 1 6 6 ASP H H 6 8.076 8.076 7.702 0.374 25352 516 1 6 . 1 1 7 7 GLN HA H 7 3.724 3.724 4.068 -0.344 25352 517 1 6 . 1 1 7 7 GLN H H 7 8.055 8.055 7.623 0.432 25352 518 1 6 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.232 0.320 25352 519 1 6 . 1 1 8 8 PHE H H 8 7.830 7.830 7.755 0.075 25352 520 1 6 . 1 1 9 9 GLY H H 9 7.864 7.864 8.593 -0.729 25352 521 1 6 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.252 -0.165 25352 522 1 6 . 1 1 10 10 ILE H H 10 7.621 7.621 7.650 -0.029 25352 523 1 6 . 1 1 11 11 HIS H H 11 8.202 8.202 8.341 -0.139 25352 524 1 6 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.152 0.295 25352 525 1 6 . 1 1 12 12 LEU H H 12 8.123 8.123 7.726 0.397 25352 526 1 6 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.478 -0.051 25352 527 1 6 . 1 1 13 13 ALA H H 13 8.260 8.260 8.051 0.209 25352 528 1 6 . 1 1 14 14 THR HA H 14 3.990 3.990 4.061 -0.071 25352 529 1 6 . 1 1 14 14 THR H H 14 8.536 8.536 8.614 -0.078 25352 530 1 6 . 1 1 15 15 GLY H H 15 8.295 8.295 7.744 0.551 25352 531 1 6 . 1 1 16 16 THR HA H 16 3.898 3.898 4.430 -0.532 25352 532 1 6 . 1 1 16 16 THR H H 16 7.981 7.981 7.990 -0.009 25352 533 1 6 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.316 -0.327 25352 534 1 6 . 1 1 17 17 ALA H H 17 8.538 8.538 8.392 0.146 25352 535 1 6 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.087 -0.154 25352 536 1 6 . 1 1 18 18 ARG H H 18 7.905 7.905 8.725 -0.820 25352 537 1 6 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.059 0.067 25352 538 1 6 . 1 1 19 19 LYS H H 19 7.745 7.745 7.642 0.103 25352 539 1 6 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.114 0.017 25352 540 1 6 . 1 1 20 20 LEU H H 20 7.926 7.926 7.378 0.548 25352 541 1 6 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.011 -0.024 25352 542 1 6 . 1 1 21 21 LEU H H 21 8.168 8.168 8.561 -0.393 25352 543 1 6 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.651 -0.245 25352 544 1 6 . 1 1 22 22 ASP H H 22 8.359 8.359 7.675 0.684 25352 545 1 6 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.469 -0.238 25352 546 1 6 . 1 1 23 23 ALA H H 23 7.772 7.772 7.912 -0.140 25352 547 1 6 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.131 -0.171 25352 548 1 6 . 1 1 24 24 VAL H H 24 7.992 7.992 8.572 -0.581 25352 549 1 6 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.637 -0.357 25352 550 1 6 . 1 1 25 25 ALA H H 25 8.314 8.314 7.629 0.685 25352 551 1 6 . 1 1 26 26 SER HA H 26 4.391 4.391 4.176 0.215 25352 552 1 6 . 1 1 26 26 SER H H 26 7.919 7.919 8.384 -0.465 25352 553 1 6 . 1 1 27 27 GLY H H 27 8.225 8.225 8.215 0.010 25352 554 1 6 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.745 -0.375 25352 555 1 6 . 1 1 28 28 ALA H H 28 8.043 8.043 7.564 0.479 25352 556 1 6 . 1 1 29 29 SER HA H 29 4.524 4.524 4.306 0.218 25352 557 1 6 . 1 1 29 29 SER H H 29 8.207 8.207 8.693 -0.486 25352 558 1 6 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.474 -0.238 25352 559 1 6 . 1 1 30 30 LEU H H 30 8.232 8.232 8.364 -0.132 25352 560 1 6 . 1 1 31 31 GLY H H 31 8.404 8.404 8.438 -0.034 25352 561 1 6 . 1 1 32 32 THR HA H 32 4.113 4.113 4.370 -0.257 25352 562 1 6 . 1 1 32 32 THR H H 32 7.953 7.953 7.964 -0.011 25352 563 1 6 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.193 0.002 25352 564 1 6 . 1 1 33 33 ALA H H 33 8.059 8.059 8.202 -0.143 25352 565 1 6 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.369 -0.027 25352 566 1 6 . 1 1 34 34 PHE H H 34 8.243 8.243 7.942 0.301 25352 567 1 6 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.048 -0.063 25352 568 1 6 . 1 1 35 35 ALA H H 35 7.952 7.952 8.082 -0.130 25352 569 1 6 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.172 -0.002 25352 570 1 6 . 1 1 36 36 ALA H H 36 7.799 7.799 7.537 0.262 25352 571 1 6 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.197 -0.280 25352 572 1 6 . 1 1 37 37 ILE H H 37 7.795 7.795 7.257 0.538 25352 573 1 6 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.263 -0.126 25352 574 1 6 . 1 1 38 38 LEU H H 38 7.644 7.644 7.878 -0.234 25352 575 1 6 . 1 1 39 39 GLY H H 39 7.839 7.839 7.552 0.287 25352 576 1 6 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.816 0.422 25352 577 1 6 . 1 1 40 40 VAL H H 40 7.352 7.352 7.688 -0.336 25352 578 1 6 . 1 1 41 41 THR HA H 41 4.393 4.393 4.244 0.149 25352 579 1 6 . 1 1 41 41 THR H H 41 7.981 7.981 7.343 0.638 25352 580 1 6 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.479 -0.166 25352 581 1 6 . 1 1 42 42 LEU H H 42 8.320 8.320 7.216 1.104 25352 582 1 6 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.424 -0.043 25352 583 1 6 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.372 -0.382 25352 584 1 6 . 1 1 44 44 ALA H H 44 8.649 8.649 8.325 0.324 25352 585 1 6 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.732 -0.262 25352 586 1 6 . 1 1 45 45 TRP H H 45 7.594 7.594 7.856 -0.262 25352 587 1 6 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.386 0.507 25352 588 1 6 . 1 1 46 46 ALA H H 46 6.722 6.722 7.386 -0.664 25352 589 1 6 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.926 0.057 25352 590 1 6 . 1 1 47 47 LEU H H 47 7.313 7.313 8.067 -0.754 25352 591 1 6 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.230 -0.048 25352 592 1 6 . 1 1 48 48 ALA H H 48 7.949 7.949 7.625 0.324 25352 593 1 6 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.267 -0.092 25352 594 1 6 . 1 1 49 49 ALA H H 49 8.047 8.047 8.089 -0.042 25352 595 1 6 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.766 -0.758 25352 596 1 6 . 1 1 50 50 ALA H H 50 8.110 8.110 7.424 0.686 25352 597 1 6 . 1 1 51 51 GLY H H 51 8.130 8.130 7.723 0.407 25352 598 1 6 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.705 -0.692 25352 599 1 6 . 1 1 52 52 ALA H H 52 7.919 7.919 8.008 -0.089 25352 600 1 6 . 1 1 54 54 GLY H H 54 8.225 8.225 8.497 -0.272 25352 601 1 6 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.122 0.099 25352 602 1 6 . 1 1 55 55 ALA H H 55 8.042 8.042 8.093 -0.051 25352 603 1 6 . 1 1 56 56 THR HA H 56 4.120 4.120 4.348 -0.228 25352 604 1 6 . 1 1 56 56 THR H H 56 7.890 7.890 8.295 -0.405 25352 605 1 6 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.672 -0.288 25352 606 1 6 . 1 1 57 57 ALA H H 57 8.158 8.158 8.322 -0.164 25352 607 1 7 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.618 -0.344 25352 608 1 7 . 1 1 2 2 TYR H H 2 7.749 7.749 7.981 -0.232 25352 609 1 7 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.970 -0.662 25352 610 1 7 . 1 1 3 3 TRP H H 3 8.235 8.235 8.021 0.214 25352 611 1 7 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.704 -0.143 25352 612 1 7 . 1 1 4 4 ILE H H 4 8.505 8.505 8.123 0.383 25352 613 1 7 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.285 -0.073 25352 614 1 7 . 1 1 5 5 ALA H H 5 8.059 8.059 7.835 0.224 25352 615 1 7 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.784 -0.413 25352 616 1 7 . 1 1 6 6 ASP H H 6 8.076 8.076 7.504 0.572 25352 617 1 7 . 1 1 7 7 GLN HA H 7 3.724 3.724 4.031 -0.307 25352 618 1 7 . 1 1 7 7 GLN H H 7 8.055 8.055 7.981 0.074 25352 619 1 7 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.075 0.477 25352 620 1 7 . 1 1 8 8 PHE H H 8 7.830 7.830 7.611 0.219 25352 621 1 7 . 1 1 9 9 GLY H H 9 7.864 7.864 8.705 -0.841 25352 622 1 7 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.347 -0.260 25352 623 1 7 . 1 1 10 10 ILE H H 10 7.621 7.621 7.698 -0.077 25352 624 1 7 . 1 1 11 11 HIS H H 11 8.202 8.202 8.250 -0.048 25352 625 1 7 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.268 0.179 25352 626 1 7 . 1 1 12 12 LEU H H 12 8.123 8.123 7.749 0.374 25352 627 1 7 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.188 0.239 25352 628 1 7 . 1 1 13 13 ALA H H 13 8.260 8.260 8.229 0.031 25352 629 1 7 . 1 1 14 14 THR HA H 14 3.990 3.990 4.409 -0.419 25352 630 1 7 . 1 1 14 14 THR H H 14 8.536 8.536 8.212 0.324 25352 631 1 7 . 1 1 15 15 GLY H H 15 8.295 8.295 7.712 0.583 25352 632 1 7 . 1 1 16 16 THR HA H 16 3.898 3.898 4.158 -0.260 25352 633 1 7 . 1 1 16 16 THR H H 16 7.981 7.981 7.945 0.036 25352 634 1 7 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.498 -0.509 25352 635 1 7 . 1 1 17 17 ALA H H 17 8.538 8.538 8.077 0.461 25352 636 1 7 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.095 -0.162 25352 637 1 7 . 1 1 18 18 ARG H H 18 7.905 7.905 8.818 -0.913 25352 638 1 7 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.100 0.026 25352 639 1 7 . 1 1 19 19 LYS H H 19 7.745 7.745 8.261 -0.516 25352 640 1 7 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.173 -0.042 25352 641 1 7 . 1 1 20 20 LEU H H 20 7.926 7.926 7.237 0.689 25352 642 1 7 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.019 -0.032 25352 643 1 7 . 1 1 21 21 LEU H H 21 8.168 8.168 8.589 -0.421 25352 644 1 7 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.638 -0.232 25352 645 1 7 . 1 1 22 22 ASP H H 22 8.359 8.359 7.679 0.680 25352 646 1 7 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.528 -0.297 25352 647 1 7 . 1 1 23 23 ALA H H 23 7.772 7.772 7.976 -0.204 25352 648 1 7 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.047 -0.087 25352 649 1 7 . 1 1 24 24 VAL H H 24 7.992 7.992 8.508 -0.516 25352 650 1 7 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.422 -0.142 25352 651 1 7 . 1 1 25 25 ALA H H 25 8.314 8.314 7.559 0.755 25352 652 1 7 . 1 1 26 26 SER HA H 26 4.391 4.391 4.162 0.230 25352 653 1 7 . 1 1 26 26 SER H H 26 7.919 7.919 8.204 -0.285 25352 654 1 7 . 1 1 27 27 GLY H H 27 8.225 8.225 7.572 0.653 25352 655 1 7 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.701 -0.331 25352 656 1 7 . 1 1 28 28 ALA H H 28 8.043 8.043 7.545 0.498 25352 657 1 7 . 1 1 29 29 SER HA H 29 4.524 4.524 4.331 0.193 25352 658 1 7 . 1 1 29 29 SER H H 29 8.207 8.207 8.797 -0.590 25352 659 1 7 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.497 -0.261 25352 660 1 7 . 1 1 30 30 LEU H H 30 8.232 8.232 8.589 -0.357 25352 661 1 7 . 1 1 31 31 GLY H H 31 8.404 8.404 8.422 -0.018 25352 662 1 7 . 1 1 32 32 THR HA H 32 4.113 4.113 4.369 -0.256 25352 663 1 7 . 1 1 32 32 THR H H 32 7.953 7.953 7.876 0.077 25352 664 1 7 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.163 0.032 25352 665 1 7 . 1 1 33 33 ALA H H 33 8.059 8.059 8.130 -0.071 25352 666 1 7 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.387 -0.045 25352 667 1 7 . 1 1 34 34 PHE H H 34 8.243 8.243 8.037 0.206 25352 668 1 7 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.065 -0.080 25352 669 1 7 . 1 1 35 35 ALA H H 35 7.952 7.952 7.928 0.024 25352 670 1 7 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.252 -0.082 25352 671 1 7 . 1 1 36 36 ALA H H 36 7.799 7.799 7.503 0.296 25352 672 1 7 . 1 1 37 37 ILE HA H 37 3.917 3.917 3.993 -0.076 25352 673 1 7 . 1 1 37 37 ILE H H 37 7.795 7.795 7.176 0.619 25352 674 1 7 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.109 0.028 25352 675 1 7 . 1 1 38 38 LEU H H 38 7.644 7.644 7.798 -0.154 25352 676 1 7 . 1 1 39 39 GLY H H 39 7.839 7.839 7.195 0.644 25352 677 1 7 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.786 0.452 25352 678 1 7 . 1 1 40 40 VAL H H 40 7.352 7.352 7.399 -0.047 25352 679 1 7 . 1 1 41 41 THR HA H 41 4.393 4.393 4.291 0.102 25352 680 1 7 . 1 1 41 41 THR H H 41 7.981 7.981 7.330 0.651 25352 681 1 7 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.541 -0.228 25352 682 1 7 . 1 1 42 42 LEU H H 42 8.320 8.320 7.260 1.060 25352 683 1 7 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.433 -0.052 25352 684 1 7 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.375 -0.385 25352 685 1 7 . 1 1 44 44 ALA H H 44 8.649 8.649 8.296 0.353 25352 686 1 7 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.751 -0.281 25352 687 1 7 . 1 1 45 45 TRP H H 45 7.594 7.594 7.705 -0.111 25352 688 1 7 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.270 0.623 25352 689 1 7 . 1 1 46 46 ALA H H 46 6.722 6.722 7.352 -0.630 25352 690 1 7 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.950 0.033 25352 691 1 7 . 1 1 47 47 LEU H H 47 7.313 7.313 8.071 -0.758 25352 692 1 7 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.239 -0.057 25352 693 1 7 . 1 1 48 48 ALA H H 48 7.949 7.949 7.369 0.580 25352 694 1 7 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.162 0.013 25352 695 1 7 . 1 1 49 49 ALA H H 49 8.047 8.047 8.227 -0.180 25352 696 1 7 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.429 -0.421 25352 697 1 7 . 1 1 50 50 ALA H H 50 8.110 8.110 7.391 0.719 25352 698 1 7 . 1 1 51 51 GLY H H 51 8.130 8.130 7.810 0.320 25352 699 1 7 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.714 -0.701 25352 700 1 7 . 1 1 52 52 ALA H H 52 7.919 7.919 7.992 -0.073 25352 701 1 7 . 1 1 54 54 GLY H H 54 8.225 8.225 8.588 -0.363 25352 702 1 7 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.694 -0.473 25352 703 1 7 . 1 1 55 55 ALA H H 55 8.042 8.042 7.802 0.240 25352 704 1 7 . 1 1 56 56 THR HA H 56 4.120 4.120 4.358 -0.238 25352 705 1 7 . 1 1 56 56 THR H H 56 7.890 7.890 8.533 -0.643 25352 706 1 7 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.778 -0.394 25352 707 1 7 . 1 1 57 57 ALA H H 57 8.158 8.158 8.258 -0.100 25352 708 1 8 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.303 -0.029 25352 709 1 8 . 1 1 2 2 TYR H H 2 7.749 7.749 8.207 -0.458 25352 710 1 8 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.585 -0.277 25352 711 1 8 . 1 1 3 3 TRP H H 3 8.235 8.235 7.790 0.445 25352 712 1 8 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.435 0.126 25352 713 1 8 . 1 1 4 4 ILE H H 4 8.505 8.505 7.847 0.658 25352 714 1 8 . 1 1 5 5 ALA HA H 5 4.212 4.212 3.903 0.309 25352 715 1 8 . 1 1 5 5 ALA H H 5 8.059 8.059 7.239 0.820 25352 716 1 8 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.580 -0.209 25352 717 1 8 . 1 1 6 6 ASP H H 6 8.076 8.076 7.277 0.799 25352 718 1 8 . 1 1 7 7 GLN HA H 7 3.724 3.724 4.085 -0.361 25352 719 1 8 . 1 1 7 7 GLN H H 7 8.055 8.055 7.803 0.252 25352 720 1 8 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.478 0.074 25352 721 1 8 . 1 1 8 8 PHE H H 8 7.830 7.830 7.825 0.005 25352 722 1 8 . 1 1 9 9 GLY H H 9 7.864 7.864 8.868 -1.004 25352 723 1 8 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.398 -0.311 25352 724 1 8 . 1 1 10 10 ILE H H 10 7.621 7.621 7.972 -0.351 25352 725 1 8 . 1 1 11 11 HIS H H 11 8.202 8.202 8.171 0.031 25352 726 1 8 . 1 1 12 12 LEU HA H 12 4.447 4.447 3.914 0.533 25352 727 1 8 . 1 1 12 12 LEU H H 12 8.123 8.123 7.559 0.564 25352 728 1 8 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.128 0.299 25352 729 1 8 . 1 1 13 13 ALA H H 13 8.260 8.260 8.136 0.124 25352 730 1 8 . 1 1 14 14 THR HA H 14 3.990 3.990 4.364 -0.374 25352 731 1 8 . 1 1 14 14 THR H H 14 8.536 8.536 8.191 0.345 25352 732 1 8 . 1 1 15 15 GLY H H 15 8.295 8.295 7.671 0.624 25352 733 1 8 . 1 1 16 16 THR HA H 16 3.898 3.898 4.147 -0.249 25352 734 1 8 . 1 1 16 16 THR H H 16 7.981 7.981 7.931 0.050 25352 735 1 8 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.402 -0.413 25352 736 1 8 . 1 1 17 17 ALA H H 17 8.538 8.538 7.753 0.785 25352 737 1 8 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.104 -0.171 25352 738 1 8 . 1 1 18 18 ARG H H 18 7.905 7.905 8.754 -0.849 25352 739 1 8 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.121 0.005 25352 740 1 8 . 1 1 19 19 LYS H H 19 7.745 7.745 8.297 -0.552 25352 741 1 8 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.180 -0.049 25352 742 1 8 . 1 1 20 20 LEU H H 20 7.926 7.926 7.574 0.352 25352 743 1 8 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.026 -0.039 25352 744 1 8 . 1 1 21 21 LEU H H 21 8.168 8.168 8.287 -0.119 25352 745 1 8 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.690 -0.284 25352 746 1 8 . 1 1 22 22 ASP H H 22 8.359 8.359 7.647 0.712 25352 747 1 8 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.505 -0.274 25352 748 1 8 . 1 1 23 23 ALA H H 23 7.772 7.772 7.926 -0.153 25352 749 1 8 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.090 -0.130 25352 750 1 8 . 1 1 24 24 VAL H H 24 7.992 7.992 8.726 -0.734 25352 751 1 8 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.547 -0.267 25352 752 1 8 . 1 1 25 25 ALA H H 25 8.314 8.314 7.583 0.731 25352 753 1 8 . 1 1 26 26 SER HA H 26 4.391 4.391 4.159 0.232 25352 754 1 8 . 1 1 26 26 SER H H 26 7.919 7.919 8.191 -0.272 25352 755 1 8 . 1 1 27 27 GLY H H 27 8.225 8.225 7.729 0.496 25352 756 1 8 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.815 -0.445 25352 757 1 8 . 1 1 28 28 ALA H H 28 8.043 8.043 7.541 0.502 25352 758 1 8 . 1 1 29 29 SER HA H 29 4.524 4.524 4.325 0.199 25352 759 1 8 . 1 1 29 29 SER H H 29 8.207 8.207 8.765 -0.558 25352 760 1 8 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.414 -0.178 25352 761 1 8 . 1 1 30 30 LEU H H 30 8.232 8.232 8.505 -0.273 25352 762 1 8 . 1 1 31 31 GLY H H 31 8.404 8.404 8.228 0.176 25352 763 1 8 . 1 1 32 32 THR HA H 32 4.113 4.113 4.381 -0.268 25352 764 1 8 . 1 1 32 32 THR H H 32 7.953 7.953 7.945 0.008 25352 765 1 8 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.210 -0.015 25352 766 1 8 . 1 1 33 33 ALA H H 33 8.059 8.059 8.299 -0.240 25352 767 1 8 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.309 0.033 25352 768 1 8 . 1 1 34 34 PHE H H 34 8.243 8.243 8.155 0.088 25352 769 1 8 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.065 -0.080 25352 770 1 8 . 1 1 35 35 ALA H H 35 7.952 7.952 8.057 -0.105 25352 771 1 8 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.206 -0.036 25352 772 1 8 . 1 1 36 36 ALA H H 36 7.799 7.799 7.450 0.349 25352 773 1 8 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.037 -0.120 25352 774 1 8 . 1 1 37 37 ILE H H 37 7.795 7.795 7.155 0.640 25352 775 1 8 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.350 -0.213 25352 776 1 8 . 1 1 38 38 LEU H H 38 7.644 7.644 7.910 -0.266 25352 777 1 8 . 1 1 39 39 GLY H H 39 7.839 7.839 7.310 0.529 25352 778 1 8 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.828 0.410 25352 779 1 8 . 1 1 40 40 VAL H H 40 7.352 7.352 7.752 -0.400 25352 780 1 8 . 1 1 41 41 THR HA H 41 4.393 4.393 4.302 0.091 25352 781 1 8 . 1 1 41 41 THR H H 41 7.981 7.981 7.495 0.486 25352 782 1 8 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.579 -0.266 25352 783 1 8 . 1 1 42 42 LEU H H 42 8.320 8.320 7.346 0.974 25352 784 1 8 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.450 -0.069 25352 785 1 8 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.397 -0.407 25352 786 1 8 . 1 1 44 44 ALA H H 44 8.649 8.649 8.329 0.320 25352 787 1 8 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.751 -0.281 25352 788 1 8 . 1 1 45 45 TRP H H 45 7.594 7.594 7.815 -0.221 25352 789 1 8 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.346 0.547 25352 790 1 8 . 1 1 46 46 ALA H H 46 6.722 6.722 7.312 -0.590 25352 791 1 8 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.956 0.027 25352 792 1 8 . 1 1 47 47 LEU H H 47 7.313 7.313 8.222 -0.909 25352 793 1 8 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.278 -0.096 25352 794 1 8 . 1 1 48 48 ALA H H 48 7.949 7.949 7.861 0.088 25352 795 1 8 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.206 -0.031 25352 796 1 8 . 1 1 49 49 ALA H H 49 8.047 8.047 7.946 0.102 25352 797 1 8 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.090 -0.082 25352 798 1 8 . 1 1 50 50 ALA H H 50 8.110 8.110 7.651 0.459 25352 799 1 8 . 1 1 51 51 GLY H H 51 8.130 8.130 7.612 0.518 25352 800 1 8 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.694 -0.681 25352 801 1 8 . 1 1 52 52 ALA H H 52 7.919 7.919 7.550 0.369 25352 802 1 8 . 1 1 54 54 GLY H H 54 8.225 8.225 8.488 -0.263 25352 803 1 8 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.311 -0.090 25352 804 1 8 . 1 1 55 55 ALA H H 55 8.042 8.042 7.679 0.363 25352 805 1 8 . 1 1 56 56 THR HA H 56 4.120 4.120 4.369 -0.249 25352 806 1 8 . 1 1 56 56 THR H H 56 7.890 7.890 8.525 -0.635 25352 807 1 8 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.536 -0.152 25352 808 1 8 . 1 1 57 57 ALA H H 57 8.158 8.158 8.346 -0.188 25352 809 1 9 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.628 -0.354 25352 810 1 9 . 1 1 2 2 TYR H H 2 7.749 7.749 8.027 -0.278 25352 811 1 9 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.916 -0.608 25352 812 1 9 . 1 1 3 3 TRP H H 3 8.235 8.235 8.075 0.160 25352 813 1 9 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.729 -0.168 25352 814 1 9 . 1 1 4 4 ILE H H 4 8.505 8.505 8.118 0.387 25352 815 1 9 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.246 -0.034 25352 816 1 9 . 1 1 5 5 ALA H H 5 8.059 8.059 7.947 0.112 25352 817 1 9 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.673 -0.302 25352 818 1 9 . 1 1 6 6 ASP H H 6 8.076 8.076 7.622 0.454 25352 819 1 9 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.995 -0.271 25352 820 1 9 . 1 1 7 7 GLN H H 7 8.055 8.055 8.045 0.010 25352 821 1 9 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.108 0.444 25352 822 1 9 . 1 1 8 8 PHE H H 8 7.830 7.830 7.692 0.138 25352 823 1 9 . 1 1 9 9 GLY H H 9 7.864 7.864 8.706 -0.842 25352 824 1 9 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.280 -0.193 25352 825 1 9 . 1 1 10 10 ILE H H 10 7.621 7.621 7.804 -0.183 25352 826 1 9 . 1 1 11 11 HIS H H 11 8.202 8.202 8.338 -0.136 25352 827 1 9 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.815 -0.368 25352 828 1 9 . 1 1 12 12 LEU H H 12 8.123 8.123 7.469 0.654 25352 829 1 9 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.132 0.295 25352 830 1 9 . 1 1 13 13 ALA H H 13 8.260 8.260 8.584 -0.324 25352 831 1 9 . 1 1 14 14 THR HA H 14 3.990 3.990 4.143 -0.153 25352 832 1 9 . 1 1 14 14 THR H H 14 8.536 8.536 8.363 0.173 25352 833 1 9 . 1 1 15 15 GLY H H 15 8.295 8.295 8.425 -0.130 25352 834 1 9 . 1 1 16 16 THR HA H 16 3.898 3.898 4.395 -0.497 25352 835 1 9 . 1 1 16 16 THR H H 16 7.981 7.981 7.815 0.166 25352 836 1 9 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.247 -0.258 25352 837 1 9 . 1 1 17 17 ALA H H 17 8.538 8.538 8.332 0.206 25352 838 1 9 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.112 -0.179 25352 839 1 9 . 1 1 18 18 ARG H H 18 7.905 7.905 8.734 -0.829 25352 840 1 9 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.079 0.047 25352 841 1 9 . 1 1 19 19 LYS H H 19 7.745 7.745 7.456 0.289 25352 842 1 9 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.104 0.027 25352 843 1 9 . 1 1 20 20 LEU H H 20 7.926 7.926 7.543 0.383 25352 844 1 9 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.007 -0.020 25352 845 1 9 . 1 1 21 21 LEU H H 21 8.168 8.168 8.492 -0.324 25352 846 1 9 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.676 -0.270 25352 847 1 9 . 1 1 22 22 ASP H H 22 8.359 8.359 7.648 0.711 25352 848 1 9 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.508 -0.277 25352 849 1 9 . 1 1 23 23 ALA H H 23 7.772 7.772 7.970 -0.198 25352 850 1 9 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.082 -0.122 25352 851 1 9 . 1 1 24 24 VAL H H 24 7.992 7.992 8.717 -0.725 25352 852 1 9 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.513 -0.233 25352 853 1 9 . 1 1 25 25 ALA H H 25 8.314 8.314 7.591 0.723 25352 854 1 9 . 1 1 26 26 SER HA H 26 4.391 4.391 4.165 0.226 25352 855 1 9 . 1 1 26 26 SER H H 26 7.919 7.919 8.138 -0.219 25352 856 1 9 . 1 1 27 27 GLY H H 27 8.225 8.225 7.725 0.500 25352 857 1 9 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.784 -0.414 25352 858 1 9 . 1 1 28 28 ALA H H 28 8.043 8.043 7.577 0.466 25352 859 1 9 . 1 1 29 29 SER HA H 29 4.524 4.524 4.282 0.242 25352 860 1 9 . 1 1 29 29 SER H H 29 8.207 8.207 8.700 -0.493 25352 861 1 9 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.498 -0.262 25352 862 1 9 . 1 1 30 30 LEU H H 30 8.232 8.232 8.353 -0.121 25352 863 1 9 . 1 1 31 31 GLY H H 31 8.404 8.404 8.411 -0.007 25352 864 1 9 . 1 1 32 32 THR HA H 32 4.113 4.113 4.355 -0.242 25352 865 1 9 . 1 1 32 32 THR H H 32 7.953 7.953 7.936 0.017 25352 866 1 9 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.175 0.020 25352 867 1 9 . 1 1 33 33 ALA H H 33 8.059 8.059 8.150 -0.091 25352 868 1 9 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.321 0.021 25352 869 1 9 . 1 1 34 34 PHE H H 34 8.243 8.243 8.144 0.099 25352 870 1 9 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.044 -0.059 25352 871 1 9 . 1 1 35 35 ALA H H 35 7.952 7.952 8.008 -0.056 25352 872 1 9 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.159 0.011 25352 873 1 9 . 1 1 36 36 ALA H H 36 7.799 7.799 7.496 0.303 25352 874 1 9 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.132 -0.215 25352 875 1 9 . 1 1 37 37 ILE H H 37 7.795 7.795 7.229 0.566 25352 876 1 9 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.242 -0.105 25352 877 1 9 . 1 1 38 38 LEU H H 38 7.644 7.644 7.765 -0.121 25352 878 1 9 . 1 1 39 39 GLY H H 39 7.839 7.839 7.534 0.305 25352 879 1 9 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.803 0.435 25352 880 1 9 . 1 1 40 40 VAL H H 40 7.352 7.352 7.673 -0.321 25352 881 1 9 . 1 1 41 41 THR HA H 41 4.393 4.393 4.262 0.131 25352 882 1 9 . 1 1 41 41 THR H H 41 7.981 7.981 7.414 0.567 25352 883 1 9 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.521 -0.208 25352 884 1 9 . 1 1 42 42 LEU H H 42 8.320 8.320 7.272 1.048 25352 885 1 9 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.434 -0.053 25352 886 1 9 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.383 -0.393 25352 887 1 9 . 1 1 44 44 ALA H H 44 8.649 8.649 8.311 0.338 25352 888 1 9 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.780 -0.310 25352 889 1 9 . 1 1 45 45 TRP H H 45 7.594 7.594 7.741 -0.147 25352 890 1 9 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.417 0.476 25352 891 1 9 . 1 1 46 46 ALA H H 46 6.722 6.722 7.312 -0.590 25352 892 1 9 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.952 0.031 25352 893 1 9 . 1 1 47 47 LEU H H 47 7.313 7.313 8.046 -0.733 25352 894 1 9 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.186 -0.004 25352 895 1 9 . 1 1 48 48 ALA H H 48 7.949 7.949 7.898 0.051 25352 896 1 9 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.151 0.024 25352 897 1 9 . 1 1 49 49 ALA H H 49 8.047 8.047 7.922 0.125 25352 898 1 9 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.423 -0.415 25352 899 1 9 . 1 1 50 50 ALA H H 50 8.110 8.110 7.407 0.703 25352 900 1 9 . 1 1 51 51 GLY H H 51 8.130 8.130 7.912 0.218 25352 901 1 9 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.466 -0.453 25352 902 1 9 . 1 1 52 52 ALA H H 52 7.919 7.919 7.452 0.467 25352 903 1 9 . 1 1 54 54 GLY H H 54 8.225 8.225 8.901 -0.676 25352 904 1 9 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.739 -0.518 25352 905 1 9 . 1 1 55 55 ALA H H 55 8.042 8.042 7.982 0.060 25352 906 1 9 . 1 1 56 56 THR HA H 56 4.120 4.120 4.298 -0.178 25352 907 1 9 . 1 1 56 56 THR H H 56 7.890 7.890 8.506 -0.616 25352 908 1 9 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.719 -0.335 25352 909 1 9 . 1 1 57 57 ALA H H 57 8.158 8.158 8.222 -0.064 25352 910 1 10 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.306 -0.032 25352 911 1 10 . 1 1 2 2 TYR H H 2 7.749 7.749 7.975 -0.226 25352 912 1 10 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.443 -0.135 25352 913 1 10 . 1 1 3 3 TRP H H 3 8.235 8.235 8.228 0.007 25352 914 1 10 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.772 -0.211 25352 915 1 10 . 1 1 4 4 ILE H H 4 8.505 8.505 7.685 0.820 25352 916 1 10 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.131 0.081 25352 917 1 10 . 1 1 5 5 ALA H H 5 8.059 8.059 8.255 -0.196 25352 918 1 10 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.672 -0.301 25352 919 1 10 . 1 1 6 6 ASP H H 6 8.076 8.076 7.685 0.391 25352 920 1 10 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.885 -0.161 25352 921 1 10 . 1 1 7 7 GLN H H 7 8.055 8.055 7.806 0.249 25352 922 1 10 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.381 0.171 25352 923 1 10 . 1 1 8 8 PHE H H 8 7.830 7.830 8.204 -0.374 25352 924 1 10 . 1 1 9 9 GLY H H 9 7.864 7.864 8.731 -0.867 25352 925 1 10 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.285 -0.198 25352 926 1 10 . 1 1 10 10 ILE H H 10 7.621 7.621 7.811 -0.190 25352 927 1 10 . 1 1 11 11 HIS H H 11 8.202 8.202 8.130 0.072 25352 928 1 10 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.251 0.196 25352 929 1 10 . 1 1 12 12 LEU H H 12 8.123 8.123 7.455 0.668 25352 930 1 10 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.047 0.380 25352 931 1 10 . 1 1 13 13 ALA H H 13 8.260 8.260 8.475 -0.215 25352 932 1 10 . 1 1 14 14 THR HA H 14 3.990 3.990 4.371 -0.381 25352 933 1 10 . 1 1 14 14 THR H H 14 8.536 8.536 8.006 0.530 25352 934 1 10 . 1 1 15 15 GLY H H 15 8.295 8.295 7.709 0.586 25352 935 1 10 . 1 1 16 16 THR HA H 16 3.898 3.898 4.027 -0.129 25352 936 1 10 . 1 1 16 16 THR H H 16 7.981 7.981 7.961 0.020 25352 937 1 10 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.433 -0.444 25352 938 1 10 . 1 1 17 17 ALA H H 17 8.538 8.538 8.284 0.254 25352 939 1 10 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.077 -0.144 25352 940 1 10 . 1 1 18 18 ARG H H 18 7.905 7.905 8.824 -0.919 25352 941 1 10 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.065 0.061 25352 942 1 10 . 1 1 19 19 LYS H H 19 7.745 7.745 8.172 -0.427 25352 943 1 10 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.099 0.032 25352 944 1 10 . 1 1 20 20 LEU H H 20 7.926 7.926 7.298 0.628 25352 945 1 10 . 1 1 21 21 LEU HA H 21 3.987 3.987 3.986 0.001 25352 946 1 10 . 1 1 21 21 LEU H H 21 8.168 8.168 7.926 0.242 25352 947 1 10 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.643 -0.237 25352 948 1 10 . 1 1 22 22 ASP H H 22 8.359 8.359 7.685 0.674 25352 949 1 10 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.493 -0.262 25352 950 1 10 . 1 1 23 23 ALA H H 23 7.772 7.772 7.965 -0.193 25352 951 1 10 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.157 -0.197 25352 952 1 10 . 1 1 24 24 VAL H H 24 7.992 7.992 8.702 -0.710 25352 953 1 10 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.508 -0.228 25352 954 1 10 . 1 1 25 25 ALA H H 25 8.314 8.314 7.451 0.863 25352 955 1 10 . 1 1 26 26 SER HA H 26 4.391 4.391 4.165 0.226 25352 956 1 10 . 1 1 26 26 SER H H 26 7.919 7.919 8.219 -0.300 25352 957 1 10 . 1 1 27 27 GLY H H 27 8.225 8.225 7.641 0.584 25352 958 1 10 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.736 -0.366 25352 959 1 10 . 1 1 28 28 ALA H H 28 8.043 8.043 7.604 0.439 25352 960 1 10 . 1 1 29 29 SER HA H 29 4.524 4.524 4.304 0.220 25352 961 1 10 . 1 1 29 29 SER H H 29 8.207 8.207 8.780 -0.573 25352 962 1 10 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.372 -0.136 25352 963 1 10 . 1 1 30 30 LEU H H 30 8.232 8.232 8.507 -0.275 25352 964 1 10 . 1 1 31 31 GLY H H 31 8.404 8.404 8.121 0.283 25352 965 1 10 . 1 1 32 32 THR HA H 32 4.113 4.113 4.332 -0.219 25352 966 1 10 . 1 1 32 32 THR H H 32 7.953 7.953 7.994 -0.041 25352 967 1 10 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.182 0.013 25352 968 1 10 . 1 1 33 33 ALA H H 33 8.059 8.059 8.209 -0.150 25352 969 1 10 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.244 0.098 25352 970 1 10 . 1 1 34 34 PHE H H 34 8.243 8.243 8.516 -0.273 25352 971 1 10 . 1 1 35 35 ALA HA H 35 3.985 3.985 3.983 0.002 25352 972 1 10 . 1 1 35 35 ALA H H 35 7.952 7.952 7.997 -0.045 25352 973 1 10 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.271 -0.101 25352 974 1 10 . 1 1 36 36 ALA H H 36 7.799 7.799 7.808 -0.009 25352 975 1 10 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.148 -0.231 25352 976 1 10 . 1 1 37 37 ILE H H 37 7.795 7.795 7.178 0.617 25352 977 1 10 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.606 -0.469 25352 978 1 10 . 1 1 38 38 LEU H H 38 7.644 7.644 7.886 -0.242 25352 979 1 10 . 1 1 39 39 GLY H H 39 7.839 7.839 7.404 0.435 25352 980 1 10 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.806 0.432 25352 981 1 10 . 1 1 40 40 VAL H H 40 7.352 7.352 7.524 -0.172 25352 982 1 10 . 1 1 41 41 THR HA H 41 4.393 4.393 4.266 0.127 25352 983 1 10 . 1 1 41 41 THR H H 41 7.981 7.981 7.425 0.556 25352 984 1 10 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.587 -0.274 25352 985 1 10 . 1 1 42 42 LEU H H 42 8.320 8.320 7.516 0.804 25352 986 1 10 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.387 -0.006 25352 987 1 10 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.375 -0.385 25352 988 1 10 . 1 1 44 44 ALA H H 44 8.649 8.649 8.295 0.354 25352 989 1 10 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.731 -0.261 25352 990 1 10 . 1 1 45 45 TRP H H 45 7.594 7.594 7.708 -0.114 25352 991 1 10 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.294 0.599 25352 992 1 10 . 1 1 46 46 ALA H H 46 6.722 6.722 7.256 -0.534 25352 993 1 10 . 1 1 47 47 LEU HA H 47 3.983 3.983 4.022 -0.039 25352 994 1 10 . 1 1 47 47 LEU H H 47 7.313 7.313 7.773 -0.460 25352 995 1 10 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.144 0.038 25352 996 1 10 . 1 1 48 48 ALA H H 48 7.949 7.949 7.975 -0.026 25352 997 1 10 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.122 0.053 25352 998 1 10 . 1 1 49 49 ALA H H 49 8.047 8.047 7.818 0.229 25352 999 1 10 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.136 -0.128 25352 1000 1 10 . 1 1 50 50 ALA H H 50 8.110 8.110 7.422 0.688 25352 1001 1 10 . 1 1 51 51 GLY H H 51 8.130 8.130 7.797 0.333 25352 1002 1 10 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.725 -0.712 25352 1003 1 10 . 1 1 52 52 ALA H H 52 7.919 7.919 7.878 0.041 25352 1004 1 10 . 1 1 54 54 GLY H H 54 8.225 8.225 8.841 -0.616 25352 1005 1 10 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.185 0.036 25352 1006 1 10 . 1 1 55 55 ALA H H 55 8.042 8.042 7.942 0.100 25352 1007 1 10 . 1 1 56 56 THR HA H 56 4.120 4.120 4.556 -0.436 25352 1008 1 10 . 1 1 56 56 THR H H 56 7.890 7.890 7.995 -0.105 25352 1009 1 10 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.652 -0.268 25352 1010 1 10 . 1 1 57 57 ALA H H 57 8.158 8.158 8.305 -0.147 25352 1011 1 11 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.522 -0.248 25352 1012 1 11 . 1 1 2 2 TYR H H 2 7.749 7.749 8.222 -0.473 25352 1013 1 11 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.651 -0.343 25352 1014 1 11 . 1 1 3 3 TRP H H 3 8.235 8.235 7.869 0.366 25352 1015 1 11 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.729 -0.168 25352 1016 1 11 . 1 1 4 4 ILE H H 4 8.505 8.505 7.880 0.625 25352 1017 1 11 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.213 -0.001 25352 1018 1 11 . 1 1 5 5 ALA H H 5 8.059 8.059 7.474 0.585 25352 1019 1 11 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.706 -0.335 25352 1020 1 11 . 1 1 6 6 ASP H H 6 8.076 8.076 7.553 0.523 25352 1021 1 11 . 1 1 7 7 GLN HA H 7 3.724 3.724 4.108 -0.384 25352 1022 1 11 . 1 1 7 7 GLN H H 7 8.055 8.055 7.520 0.535 25352 1023 1 11 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.379 0.173 25352 1024 1 11 . 1 1 8 8 PHE H H 8 7.830 7.830 7.576 0.254 25352 1025 1 11 . 1 1 9 9 GLY H H 9 7.864 7.864 8.530 -0.666 25352 1026 1 11 . 1 1 10 10 ILE HA H 10 4.087 4.087 3.998 0.089 25352 1027 1 11 . 1 1 10 10 ILE H H 10 7.621 7.621 7.565 0.056 25352 1028 1 11 . 1 1 11 11 HIS H H 11 8.202 8.202 8.198 0.004 25352 1029 1 11 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.224 0.223 25352 1030 1 11 . 1 1 12 12 LEU H H 12 8.123 8.123 7.857 0.266 25352 1031 1 11 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.594 -0.167 25352 1032 1 11 . 1 1 13 13 ALA H H 13 8.260 8.260 8.245 0.015 25352 1033 1 11 . 1 1 14 14 THR HA H 14 3.990 3.990 4.000 -0.010 25352 1034 1 11 . 1 1 14 14 THR H H 14 8.536 8.536 8.766 -0.230 25352 1035 1 11 . 1 1 15 15 GLY H H 15 8.295 8.295 7.852 0.443 25352 1036 1 11 . 1 1 16 16 THR HA H 16 3.898 3.898 4.104 -0.206 25352 1037 1 11 . 1 1 16 16 THR H H 16 7.981 7.981 8.259 -0.278 25352 1038 1 11 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.351 -0.362 25352 1039 1 11 . 1 1 17 17 ALA H H 17 8.538 8.538 8.284 0.254 25352 1040 1 11 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.089 -0.156 25352 1041 1 11 . 1 1 18 18 ARG H H 18 7.905 7.905 8.631 -0.726 25352 1042 1 11 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.074 0.052 25352 1043 1 11 . 1 1 19 19 LYS H H 19 7.745 7.745 7.953 -0.208 25352 1044 1 11 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.058 0.073 25352 1045 1 11 . 1 1 20 20 LEU H H 20 7.926 7.926 7.525 0.401 25352 1046 1 11 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.011 -0.024 25352 1047 1 11 . 1 1 21 21 LEU H H 21 8.168 8.168 7.934 0.234 25352 1048 1 11 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.636 -0.230 25352 1049 1 11 . 1 1 22 22 ASP H H 22 8.359 8.359 7.446 0.913 25352 1050 1 11 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.457 -0.226 25352 1051 1 11 . 1 1 23 23 ALA H H 23 7.772 7.772 8.148 -0.376 25352 1052 1 11 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.104 -0.144 25352 1053 1 11 . 1 1 24 24 VAL H H 24 7.992 7.992 8.725 -0.733 25352 1054 1 11 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.560 -0.280 25352 1055 1 11 . 1 1 25 25 ALA H H 25 8.314 8.314 7.559 0.755 25352 1056 1 11 . 1 1 26 26 SER HA H 26 4.391 4.391 4.179 0.212 25352 1057 1 11 . 1 1 26 26 SER H H 26 7.919 7.919 8.156 -0.237 25352 1058 1 11 . 1 1 27 27 GLY H H 27 8.225 8.225 7.776 0.449 25352 1059 1 11 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.774 -0.404 25352 1060 1 11 . 1 1 28 28 ALA H H 28 8.043 8.043 7.587 0.456 25352 1061 1 11 . 1 1 29 29 SER HA H 29 4.524 4.524 4.297 0.227 25352 1062 1 11 . 1 1 29 29 SER H H 29 8.207 8.207 8.703 -0.496 25352 1063 1 11 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.445 -0.209 25352 1064 1 11 . 1 1 30 30 LEU H H 30 8.232 8.232 8.436 -0.204 25352 1065 1 11 . 1 1 31 31 GLY H H 31 8.404 8.404 8.582 -0.178 25352 1066 1 11 . 1 1 32 32 THR HA H 32 4.113 4.113 4.382 -0.269 25352 1067 1 11 . 1 1 32 32 THR H H 32 7.953 7.953 7.983 -0.030 25352 1068 1 11 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.194 0.001 25352 1069 1 11 . 1 1 33 33 ALA H H 33 8.059 8.059 8.206 -0.147 25352 1070 1 11 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.393 -0.051 25352 1071 1 11 . 1 1 34 34 PHE H H 34 8.243 8.243 7.995 0.248 25352 1072 1 11 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.033 -0.048 25352 1073 1 11 . 1 1 35 35 ALA H H 35 7.952 7.952 8.084 -0.132 25352 1074 1 11 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.167 0.003 25352 1075 1 11 . 1 1 36 36 ALA H H 36 7.799 7.799 7.567 0.232 25352 1076 1 11 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.167 -0.250 25352 1077 1 11 . 1 1 37 37 ILE H H 37 7.795 7.795 7.121 0.674 25352 1078 1 11 . 1 1 38 38 LEU HA H 38 4.137 4.137 3.748 0.389 25352 1079 1 11 . 1 1 38 38 LEU H H 38 7.644 7.644 7.786 -0.142 25352 1080 1 11 . 1 1 39 39 GLY H H 39 7.839 7.839 7.440 0.399 25352 1081 1 11 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.748 0.490 25352 1082 1 11 . 1 1 40 40 VAL H H 40 7.352 7.352 7.692 -0.340 25352 1083 1 11 . 1 1 41 41 THR HA H 41 4.393 4.393 4.274 0.119 25352 1084 1 11 . 1 1 41 41 THR H H 41 7.981 7.981 7.341 0.640 25352 1085 1 11 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.526 -0.213 25352 1086 1 11 . 1 1 42 42 LEU H H 42 8.320 8.320 7.241 1.079 25352 1087 1 11 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.410 -0.029 25352 1088 1 11 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.385 -0.395 25352 1089 1 11 . 1 1 44 44 ALA H H 44 8.649 8.649 8.308 0.341 25352 1090 1 11 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.815 -0.345 25352 1091 1 11 . 1 1 45 45 TRP H H 45 7.594 7.594 7.671 -0.077 25352 1092 1 11 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.486 0.407 25352 1093 1 11 . 1 1 46 46 ALA H H 46 6.722 6.722 7.432 -0.710 25352 1094 1 11 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.891 0.092 25352 1095 1 11 . 1 1 47 47 LEU H H 47 7.313 7.313 8.033 -0.720 25352 1096 1 11 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.214 -0.032 25352 1097 1 11 . 1 1 48 48 ALA H H 48 7.949 7.949 7.654 0.295 25352 1098 1 11 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.232 -0.057 25352 1099 1 11 . 1 1 49 49 ALA H H 49 8.047 8.047 8.019 0.028 25352 1100 1 11 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.731 -0.723 25352 1101 1 11 . 1 1 50 50 ALA H H 50 8.110 8.110 7.420 0.690 25352 1102 1 11 . 1 1 51 51 GLY H H 51 8.130 8.130 7.794 0.336 25352 1103 1 11 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.685 -0.672 25352 1104 1 11 . 1 1 52 52 ALA H H 52 7.919 7.919 8.032 -0.113 25352 1105 1 11 . 1 1 54 54 GLY H H 54 8.225 8.225 8.498 -0.273 25352 1106 1 11 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.319 -0.098 25352 1107 1 11 . 1 1 55 55 ALA H H 55 8.042 8.042 8.078 -0.036 25352 1108 1 11 . 1 1 56 56 THR HA H 56 4.120 4.120 4.343 -0.223 25352 1109 1 11 . 1 1 56 56 THR H H 56 7.890 7.890 8.525 -0.635 25352 1110 1 11 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.528 -0.144 25352 1111 1 11 . 1 1 57 57 ALA H H 57 8.158 8.158 8.400 -0.242 25352 1112 1 12 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.237 0.037 25352 1113 1 12 . 1 1 2 2 TYR H H 2 7.749 7.749 7.737 0.012 25352 1114 1 12 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.462 -0.154 25352 1115 1 12 . 1 1 3 3 TRP H H 3 8.235 8.235 7.844 0.391 25352 1116 1 12 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.200 0.361 25352 1117 1 12 . 1 1 4 4 ILE H H 4 8.505 8.505 7.482 1.023 25352 1118 1 12 . 1 1 5 5 ALA HA H 5 4.212 4.212 3.887 0.325 25352 1119 1 12 . 1 1 5 5 ALA H H 5 8.059 8.059 7.448 0.611 25352 1120 1 12 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.622 -0.251 25352 1121 1 12 . 1 1 6 6 ASP H H 6 8.076 8.076 7.346 0.730 25352 1122 1 12 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.894 -0.170 25352 1123 1 12 . 1 1 7 7 GLN H H 7 8.055 8.055 7.572 0.483 25352 1124 1 12 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.815 -0.263 25352 1125 1 12 . 1 1 8 8 PHE H H 8 7.830 7.830 7.276 0.554 25352 1126 1 12 . 1 1 9 9 GLY H H 9 7.864 7.864 8.869 -1.005 25352 1127 1 12 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.213 -0.126 25352 1128 1 12 . 1 1 10 10 ILE H H 10 7.621 7.621 7.486 0.136 25352 1129 1 12 . 1 1 11 11 HIS H H 11 8.202 8.202 8.524 -0.322 25352 1130 1 12 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.258 0.189 25352 1131 1 12 . 1 1 12 12 LEU H H 12 8.123 8.123 8.142 -0.019 25352 1132 1 12 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.379 0.048 25352 1133 1 12 . 1 1 13 13 ALA H H 13 8.260 8.260 8.074 0.186 25352 1134 1 12 . 1 1 14 14 THR HA H 14 3.990 3.990 4.006 -0.016 25352 1135 1 12 . 1 1 14 14 THR H H 14 8.536 8.536 8.260 0.276 25352 1136 1 12 . 1 1 15 15 GLY H H 15 8.295 8.295 7.842 0.453 25352 1137 1 12 . 1 1 16 16 THR HA H 16 3.898 3.898 4.104 -0.206 25352 1138 1 12 . 1 1 16 16 THR H H 16 7.981 7.981 8.115 -0.134 25352 1139 1 12 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.457 -0.468 25352 1140 1 12 . 1 1 17 17 ALA H H 17 8.538 8.538 8.070 0.468 25352 1141 1 12 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.095 -0.162 25352 1142 1 12 . 1 1 18 18 ARG H H 18 7.905 7.905 8.844 -0.939 25352 1143 1 12 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.080 0.046 25352 1144 1 12 . 1 1 19 19 LYS H H 19 7.745 7.745 8.367 -0.622 25352 1145 1 12 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.177 -0.046 25352 1146 1 12 . 1 1 20 20 LEU H H 20 7.926 7.926 7.273 0.653 25352 1147 1 12 . 1 1 21 21 LEU HA H 21 3.987 3.987 3.993 -0.006 25352 1148 1 12 . 1 1 21 21 LEU H H 21 8.168 8.168 8.502 -0.334 25352 1149 1 12 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.647 -0.241 25352 1150 1 12 . 1 1 22 22 ASP H H 22 8.359 8.359 7.914 0.445 25352 1151 1 12 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.360 -0.129 25352 1152 1 12 . 1 1 23 23 ALA H H 23 7.772 7.772 8.169 -0.397 25352 1153 1 12 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.173 -0.212 25352 1154 1 12 . 1 1 24 24 VAL H H 24 7.992 7.992 8.740 -0.748 25352 1155 1 12 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.518 -0.238 25352 1156 1 12 . 1 1 25 25 ALA H H 25 8.314 8.314 7.461 0.853 25352 1157 1 12 . 1 1 26 26 SER HA H 26 4.391 4.391 4.151 0.240 25352 1158 1 12 . 1 1 26 26 SER H H 26 7.919 7.919 8.275 -0.356 25352 1159 1 12 . 1 1 27 27 GLY H H 27 8.225 8.225 7.638 0.587 25352 1160 1 12 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.759 -0.389 25352 1161 1 12 . 1 1 28 28 ALA H H 28 8.043 8.043 7.540 0.503 25352 1162 1 12 . 1 1 29 29 SER HA H 29 4.524 4.524 4.326 0.198 25352 1163 1 12 . 1 1 29 29 SER H H 29 8.207 8.207 8.691 -0.484 25352 1164 1 12 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.363 -0.127 25352 1165 1 12 . 1 1 30 30 LEU H H 30 8.232 8.232 8.330 -0.098 25352 1166 1 12 . 1 1 31 31 GLY H H 31 8.404 8.404 7.976 0.428 25352 1167 1 12 . 1 1 32 32 THR HA H 32 4.113 4.113 4.266 -0.153 25352 1168 1 12 . 1 1 32 32 THR H H 32 7.953 7.953 7.881 0.072 25352 1169 1 12 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.206 -0.011 25352 1170 1 12 . 1 1 33 33 ALA H H 33 8.059 8.059 8.116 -0.057 25352 1171 1 12 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.284 0.058 25352 1172 1 12 . 1 1 34 34 PHE H H 34 8.243 8.243 8.445 -0.202 25352 1173 1 12 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.286 -0.301 25352 1174 1 12 . 1 1 35 35 ALA H H 35 7.952 7.952 7.734 0.218 25352 1175 1 12 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.239 -0.069 25352 1176 1 12 . 1 1 36 36 ALA H H 36 7.799 7.799 7.613 0.186 25352 1177 1 12 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.281 -0.364 25352 1178 1 12 . 1 1 37 37 ILE H H 37 7.795 7.795 6.956 0.839 25352 1179 1 12 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.382 -0.245 25352 1180 1 12 . 1 1 38 38 LEU H H 38 7.644 7.644 7.811 -0.167 25352 1181 1 12 . 1 1 39 39 GLY H H 39 7.839 7.839 7.451 0.388 25352 1182 1 12 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.846 0.392 25352 1183 1 12 . 1 1 40 40 VAL H H 40 7.352 7.352 7.464 -0.112 25352 1184 1 12 . 1 1 41 41 THR HA H 41 4.393 4.393 4.347 0.046 25352 1185 1 12 . 1 1 41 41 THR H H 41 7.981 7.981 7.501 0.480 25352 1186 1 12 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.594 -0.281 25352 1187 1 12 . 1 1 42 42 LEU H H 42 8.320 8.320 7.392 0.928 25352 1188 1 12 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.459 -0.078 25352 1189 1 12 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.426 -0.436 25352 1190 1 12 . 1 1 44 44 ALA H H 44 8.649 8.649 8.296 0.353 25352 1191 1 12 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.810 -0.340 25352 1192 1 12 . 1 1 45 45 TRP H H 45 7.594 7.594 7.660 -0.066 25352 1193 1 12 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.467 0.426 25352 1194 1 12 . 1 1 46 46 ALA H H 46 6.722 6.722 7.405 -0.683 25352 1195 1 12 . 1 1 47 47 LEU HA H 47 3.983 3.983 4.036 -0.053 25352 1196 1 12 . 1 1 47 47 LEU H H 47 7.313 7.313 8.088 -0.775 25352 1197 1 12 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.386 -0.204 25352 1198 1 12 . 1 1 48 48 ALA H H 48 7.949 7.949 7.694 0.255 25352 1199 1 12 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.245 -0.070 25352 1200 1 12 . 1 1 49 49 ALA H H 49 8.047 8.047 8.315 -0.268 25352 1201 1 12 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.151 -0.143 25352 1202 1 12 . 1 1 50 50 ALA H H 50 8.110 8.110 7.665 0.445 25352 1203 1 12 . 1 1 51 51 GLY H H 51 8.130 8.130 7.727 0.403 25352 1204 1 12 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.951 -0.938 25352 1205 1 12 . 1 1 52 52 ALA H H 52 7.919 7.919 7.774 0.145 25352 1206 1 12 . 1 1 54 54 GLY H H 54 8.225 8.225 8.679 -0.454 25352 1207 1 12 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.431 -0.210 25352 1208 1 12 . 1 1 55 55 ALA H H 55 8.042 8.042 7.854 0.188 25352 1209 1 12 . 1 1 56 56 THR HA H 56 4.120 4.120 4.332 -0.212 25352 1210 1 12 . 1 1 56 56 THR H H 56 7.890 7.890 8.058 -0.168 25352 1211 1 12 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.541 -0.157 25352 1212 1 12 . 1 1 57 57 ALA H H 57 8.158 8.158 8.217 -0.059 25352 1213 1 13 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.648 -0.374 25352 1214 1 13 . 1 1 2 2 TYR H H 2 7.749 7.749 7.288 0.461 25352 1215 1 13 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.891 -0.583 25352 1216 1 13 . 1 1 3 3 TRP H H 3 8.235 8.235 8.033 0.202 25352 1217 1 13 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.858 -0.297 25352 1218 1 13 . 1 1 4 4 ILE H H 4 8.505 8.505 7.971 0.534 25352 1219 1 13 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.362 -0.150 25352 1220 1 13 . 1 1 5 5 ALA H H 5 8.059 8.059 7.772 0.287 25352 1221 1 13 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.705 -0.334 25352 1222 1 13 . 1 1 6 6 ASP H H 6 8.076 8.076 7.630 0.446 25352 1223 1 13 . 1 1 7 7 GLN HA H 7 3.724 3.724 4.040 -0.316 25352 1224 1 13 . 1 1 7 7 GLN H H 7 8.055 8.055 7.506 0.549 25352 1225 1 13 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.157 0.395 25352 1226 1 13 . 1 1 8 8 PHE H H 8 7.830 7.830 7.710 0.120 25352 1227 1 13 . 1 1 9 9 GLY H H 9 7.864 7.864 8.680 -0.816 25352 1228 1 13 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.380 -0.293 25352 1229 1 13 . 1 1 10 10 ILE H H 10 7.621 7.621 7.669 -0.048 25352 1230 1 13 . 1 1 11 11 HIS H H 11 8.202 8.202 8.580 -0.378 25352 1231 1 13 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.475 -0.028 25352 1232 1 13 . 1 1 12 12 LEU H H 12 8.123 8.123 7.283 0.840 25352 1233 1 13 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.649 -0.222 25352 1234 1 13 . 1 1 13 13 ALA H H 13 8.260 8.260 8.661 -0.401 25352 1235 1 13 . 1 1 14 14 THR HA H 14 3.990 3.990 4.644 -0.654 25352 1236 1 13 . 1 1 14 14 THR H H 14 8.536 8.536 8.459 0.077 25352 1237 1 13 . 1 1 15 15 GLY H H 15 8.295 8.295 7.934 0.361 25352 1238 1 13 . 1 1 16 16 THR HA H 16 3.898 3.898 4.510 -0.612 25352 1239 1 13 . 1 1 16 16 THR H H 16 7.981 7.981 7.876 0.105 25352 1240 1 13 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.267 -0.278 25352 1241 1 13 . 1 1 17 17 ALA H H 17 8.538 8.538 8.329 0.209 25352 1242 1 13 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.163 -0.230 25352 1243 1 13 . 1 1 18 18 ARG H H 18 7.905 7.905 8.709 -0.804 25352 1244 1 13 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.125 0.001 25352 1245 1 13 . 1 1 19 19 LYS H H 19 7.745 7.745 7.814 -0.069 25352 1246 1 13 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.112 0.019 25352 1247 1 13 . 1 1 20 20 LEU H H 20 7.926 7.926 7.589 0.337 25352 1248 1 13 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.043 -0.056 25352 1249 1 13 . 1 1 21 21 LEU H H 21 8.168 8.168 7.788 0.380 25352 1250 1 13 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.679 -0.273 25352 1251 1 13 . 1 1 22 22 ASP H H 22 8.359 8.359 7.643 0.716 25352 1252 1 13 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.527 -0.296 25352 1253 1 13 . 1 1 23 23 ALA H H 23 7.772 7.772 7.964 -0.192 25352 1254 1 13 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.098 -0.138 25352 1255 1 13 . 1 1 24 24 VAL H H 24 7.992 7.992 8.711 -0.719 25352 1256 1 13 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.531 -0.251 25352 1257 1 13 . 1 1 25 25 ALA H H 25 8.314 8.314 7.568 0.746 25352 1258 1 13 . 1 1 26 26 SER HA H 26 4.391 4.391 4.161 0.230 25352 1259 1 13 . 1 1 26 26 SER H H 26 7.919 7.919 8.153 -0.234 25352 1260 1 13 . 1 1 27 27 GLY H H 27 8.225 8.225 7.762 0.463 25352 1261 1 13 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.745 -0.375 25352 1262 1 13 . 1 1 28 28 ALA H H 28 8.043 8.043 7.610 0.433 25352 1263 1 13 . 1 1 29 29 SER HA H 29 4.524 4.524 4.284 0.240 25352 1264 1 13 . 1 1 29 29 SER H H 29 8.207 8.207 8.769 -0.562 25352 1265 1 13 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.466 -0.230 25352 1266 1 13 . 1 1 30 30 LEU H H 30 8.232 8.232 8.409 -0.177 25352 1267 1 13 . 1 1 31 31 GLY H H 31 8.404 8.404 8.464 -0.060 25352 1268 1 13 . 1 1 32 32 THR HA H 32 4.113 4.113 4.384 -0.271 25352 1269 1 13 . 1 1 32 32 THR H H 32 7.953 7.953 7.981 -0.028 25352 1270 1 13 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.193 0.002 25352 1271 1 13 . 1 1 33 33 ALA H H 33 8.059 8.059 8.233 -0.174 25352 1272 1 13 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.331 0.011 25352 1273 1 13 . 1 1 34 34 PHE H H 34 8.243 8.243 8.204 0.039 25352 1274 1 13 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.042 -0.057 25352 1275 1 13 . 1 1 35 35 ALA H H 35 7.952 7.952 8.059 -0.107 25352 1276 1 13 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.151 0.019 25352 1277 1 13 . 1 1 36 36 ALA H H 36 7.799 7.799 7.462 0.337 25352 1278 1 13 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.126 -0.209 25352 1279 1 13 . 1 1 37 37 ILE H H 37 7.795 7.795 7.216 0.579 25352 1280 1 13 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.223 -0.086 25352 1281 1 13 . 1 1 38 38 LEU H H 38 7.644 7.644 7.739 -0.095 25352 1282 1 13 . 1 1 39 39 GLY H H 39 7.839 7.839 7.551 0.288 25352 1283 1 13 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.790 0.448 25352 1284 1 13 . 1 1 40 40 VAL H H 40 7.352 7.352 7.652 -0.300 25352 1285 1 13 . 1 1 41 41 THR HA H 41 4.393 4.393 4.233 0.160 25352 1286 1 13 . 1 1 41 41 THR H H 41 7.981 7.981 7.345 0.636 25352 1287 1 13 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.561 -0.248 25352 1288 1 13 . 1 1 42 42 LEU H H 42 8.320 8.320 7.185 1.135 25352 1289 1 13 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.415 -0.034 25352 1290 1 13 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.380 -0.390 25352 1291 1 13 . 1 1 44 44 ALA H H 44 8.649 8.649 8.367 0.282 25352 1292 1 13 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.735 -0.265 25352 1293 1 13 . 1 1 45 45 TRP H H 45 7.594 7.594 7.930 -0.336 25352 1294 1 13 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.422 0.471 25352 1295 1 13 . 1 1 46 46 ALA H H 46 6.722 6.722 7.350 -0.628 25352 1296 1 13 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.881 0.102 25352 1297 1 13 . 1 1 47 47 LEU H H 47 7.313 7.313 8.040 -0.727 25352 1298 1 13 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.022 0.160 25352 1299 1 13 . 1 1 48 48 ALA H H 48 7.949 7.949 8.166 -0.217 25352 1300 1 13 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.131 0.044 25352 1301 1 13 . 1 1 49 49 ALA H H 49 8.047 8.047 7.689 0.358 25352 1302 1 13 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.060 -0.052 25352 1303 1 13 . 1 1 50 50 ALA H H 50 8.110 8.110 7.836 0.274 25352 1304 1 13 . 1 1 51 51 GLY H H 51 8.130 8.130 7.648 0.482 25352 1305 1 13 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.671 -0.658 25352 1306 1 13 . 1 1 52 52 ALA H H 52 7.919 7.919 8.014 -0.095 25352 1307 1 13 . 1 1 54 54 GLY H H 54 8.225 8.225 7.844 0.381 25352 1308 1 13 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.448 -0.227 25352 1309 1 13 . 1 1 55 55 ALA H H 55 8.042 8.042 8.224 -0.182 25352 1310 1 13 . 1 1 56 56 THR HA H 56 4.120 4.120 4.444 -0.324 25352 1311 1 13 . 1 1 56 56 THR H H 56 7.890 7.890 8.049 -0.159 25352 1312 1 13 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.769 -0.385 25352 1313 1 13 . 1 1 57 57 ALA H H 57 8.158 8.158 7.918 0.240 25352 1314 1 14 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.249 0.025 25352 1315 1 14 . 1 1 2 2 TYR H H 2 7.749 7.749 7.269 0.479 25352 1316 1 14 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.523 -0.215 25352 1317 1 14 . 1 1 3 3 TRP H H 3 8.235 8.235 8.412 -0.177 25352 1318 1 14 . 1 1 4 4 ILE HA H 4 3.561 3.561 4.060 -0.499 25352 1319 1 14 . 1 1 4 4 ILE H H 4 8.505 8.505 7.935 0.570 25352 1320 1 14 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.134 0.078 25352 1321 1 14 . 1 1 5 5 ALA H H 5 8.059 8.059 7.880 0.179 25352 1322 1 14 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.539 -0.168 25352 1323 1 14 . 1 1 6 6 ASP H H 6 8.076 8.076 7.750 0.326 25352 1324 1 14 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.820 -0.096 25352 1325 1 14 . 1 1 7 7 GLN H H 7 8.055 8.055 7.720 0.335 25352 1326 1 14 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.329 0.223 25352 1327 1 14 . 1 1 8 8 PHE H H 8 7.830 7.830 7.776 0.054 25352 1328 1 14 . 1 1 9 9 GLY H H 9 7.864 7.864 8.152 -0.288 25352 1329 1 14 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.426 -0.339 25352 1330 1 14 . 1 1 10 10 ILE H H 10 7.621 7.621 7.828 -0.207 25352 1331 1 14 . 1 1 11 11 HIS H H 11 8.202 8.202 8.219 -0.017 25352 1332 1 14 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.256 0.191 25352 1333 1 14 . 1 1 12 12 LEU H H 12 8.123 8.123 7.712 0.411 25352 1334 1 14 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.443 -0.016 25352 1335 1 14 . 1 1 13 13 ALA H H 13 8.260 8.260 8.243 0.017 25352 1336 1 14 . 1 1 14 14 THR HA H 14 3.990 3.990 4.145 -0.155 25352 1337 1 14 . 1 1 14 14 THR H H 14 8.536 8.536 8.540 -0.004 25352 1338 1 14 . 1 1 15 15 GLY H H 15 8.295 8.295 7.912 0.383 25352 1339 1 14 . 1 1 16 16 THR HA H 16 3.898 3.898 4.493 -0.595 25352 1340 1 14 . 1 1 16 16 THR H H 16 7.981 7.981 7.812 0.169 25352 1341 1 14 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.391 -0.402 25352 1342 1 14 . 1 1 17 17 ALA H H 17 8.538 8.538 8.310 0.228 25352 1343 1 14 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.064 -0.131 25352 1344 1 14 . 1 1 18 18 ARG H H 18 7.905 7.905 8.808 -0.903 25352 1345 1 14 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.119 0.007 25352 1346 1 14 . 1 1 19 19 LYS H H 19 7.745 7.745 8.115 -0.370 25352 1347 1 14 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.124 0.007 25352 1348 1 14 . 1 1 20 20 LEU H H 20 7.926 7.926 7.649 0.277 25352 1349 1 14 . 1 1 21 21 LEU HA H 21 3.987 3.987 3.953 0.034 25352 1350 1 14 . 1 1 21 21 LEU H H 21 8.168 8.168 7.623 0.545 25352 1351 1 14 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.638 -0.232 25352 1352 1 14 . 1 1 22 22 ASP H H 22 8.359 8.359 7.677 0.682 25352 1353 1 14 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.560 -0.329 25352 1354 1 14 . 1 1 23 23 ALA H H 23 7.772 7.772 7.877 -0.105 25352 1355 1 14 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.063 -0.103 25352 1356 1 14 . 1 1 24 24 VAL H H 24 7.992 7.992 8.628 -0.636 25352 1357 1 14 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.385 -0.104 25352 1358 1 14 . 1 1 25 25 ALA H H 25 8.314 8.314 7.651 0.663 25352 1359 1 14 . 1 1 26 26 SER HA H 26 4.391 4.391 4.190 0.201 25352 1360 1 14 . 1 1 26 26 SER H H 26 7.919 7.919 7.790 0.129 25352 1361 1 14 . 1 1 27 27 GLY H H 27 8.225 8.225 8.468 -0.243 25352 1362 1 14 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.684 -0.314 25352 1363 1 14 . 1 1 28 28 ALA H H 28 8.043 8.043 7.586 0.457 25352 1364 1 14 . 1 1 29 29 SER HA H 29 4.524 4.524 4.662 -0.138 25352 1365 1 14 . 1 1 29 29 SER H H 29 8.207 8.207 8.416 -0.209 25352 1366 1 14 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.391 -0.155 25352 1367 1 14 . 1 1 30 30 LEU H H 30 8.232 8.232 8.345 -0.113 25352 1368 1 14 . 1 1 31 31 GLY H H 31 8.404 8.404 8.449 -0.045 25352 1369 1 14 . 1 1 32 32 THR HA H 32 4.113 4.113 4.218 -0.105 25352 1370 1 14 . 1 1 32 32 THR H H 32 7.953 7.953 7.995 -0.042 25352 1371 1 14 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.206 -0.011 25352 1372 1 14 . 1 1 33 33 ALA H H 33 8.059 8.059 8.215 -0.156 25352 1373 1 14 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.326 0.016 25352 1374 1 14 . 1 1 34 34 PHE H H 34 8.243 8.243 8.229 0.014 25352 1375 1 14 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.152 -0.167 25352 1376 1 14 . 1 1 35 35 ALA H H 35 7.952 7.952 7.973 -0.021 25352 1377 1 14 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.158 0.012 25352 1378 1 14 . 1 1 36 36 ALA H H 36 7.799 7.799 7.528 0.271 25352 1379 1 14 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.142 -0.225 25352 1380 1 14 . 1 1 37 37 ILE H H 37 7.795 7.795 7.212 0.583 25352 1381 1 14 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.196 -0.059 25352 1382 1 14 . 1 1 38 38 LEU H H 38 7.644 7.644 7.470 0.174 25352 1383 1 14 . 1 1 39 39 GLY H H 39 7.839 7.839 7.691 0.148 25352 1384 1 14 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.823 0.415 25352 1385 1 14 . 1 1 40 40 VAL H H 40 7.352 7.352 7.683 -0.331 25352 1386 1 14 . 1 1 41 41 THR HA H 41 4.393 4.393 4.295 0.098 25352 1387 1 14 . 1 1 41 41 THR H H 41 7.981 7.981 7.490 0.491 25352 1388 1 14 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.556 -0.243 25352 1389 1 14 . 1 1 42 42 LEU H H 42 8.320 8.320 7.338 0.982 25352 1390 1 14 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.442 -0.061 25352 1391 1 14 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.392 -0.402 25352 1392 1 14 . 1 1 44 44 ALA H H 44 8.649 8.649 8.335 0.314 25352 1393 1 14 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.756 -0.286 25352 1394 1 14 . 1 1 45 45 TRP H H 45 7.594 7.594 7.838 -0.244 25352 1395 1 14 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.422 0.471 25352 1396 1 14 . 1 1 46 46 ALA H H 46 6.722 6.722 7.378 -0.656 25352 1397 1 14 . 1 1 47 47 LEU HA H 47 3.983 3.983 4.001 -0.018 25352 1398 1 14 . 1 1 47 47 LEU H H 47 7.313 7.313 8.085 -0.772 25352 1399 1 14 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.264 -0.082 25352 1400 1 14 . 1 1 48 48 ALA H H 48 7.949 7.949 7.857 0.092 25352 1401 1 14 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.206 -0.031 25352 1402 1 14 . 1 1 49 49 ALA H H 49 8.047 8.047 7.977 0.070 25352 1403 1 14 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.714 -0.706 25352 1404 1 14 . 1 1 50 50 ALA H H 50 8.110 8.110 7.406 0.704 25352 1405 1 14 . 1 1 51 51 GLY H H 51 8.130 8.130 7.604 0.526 25352 1406 1 14 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.315 -0.302 25352 1407 1 14 . 1 1 52 52 ALA H H 52 7.919 7.919 7.958 -0.039 25352 1408 1 14 . 1 1 54 54 GLY H H 54 8.225 8.225 8.533 -0.308 25352 1409 1 14 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.171 0.050 25352 1410 1 14 . 1 1 55 55 ALA H H 55 8.042 8.042 8.160 -0.118 25352 1411 1 14 . 1 1 56 56 THR HA H 56 4.120 4.120 4.380 -0.260 25352 1412 1 14 . 1 1 56 56 THR H H 56 7.890 7.890 8.379 -0.489 25352 1413 1 14 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.690 -0.306 25352 1414 1 14 . 1 1 57 57 ALA H H 57 8.158 8.158 8.420 -0.262 25352 1415 1 15 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.113 0.161 25352 1416 1 15 . 1 1 2 2 TYR H H 2 7.749 7.749 8.360 -0.611 25352 1417 1 15 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.519 -0.211 25352 1418 1 15 . 1 1 3 3 TRP H H 3 8.235 8.235 7.882 0.353 25352 1419 1 15 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.659 -0.098 25352 1420 1 15 . 1 1 4 4 ILE H H 4 8.505 8.505 7.780 0.725 25352 1421 1 15 . 1 1 5 5 ALA HA H 5 4.212 4.212 3.750 0.462 25352 1422 1 15 . 1 1 5 5 ALA H H 5 8.059 8.059 7.628 0.431 25352 1423 1 15 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.811 -0.440 25352 1424 1 15 . 1 1 6 6 ASP H H 6 8.076 8.076 7.532 0.544 25352 1425 1 15 . 1 1 7 7 GLN HA H 7 3.724 3.724 4.039 -0.315 25352 1426 1 15 . 1 1 7 7 GLN H H 7 8.055 8.055 8.031 0.024 25352 1427 1 15 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.166 0.386 25352 1428 1 15 . 1 1 8 8 PHE H H 8 7.830 7.830 7.689 0.141 25352 1429 1 15 . 1 1 9 9 GLY H H 9 7.864 7.864 8.516 -0.652 25352 1430 1 15 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.272 -0.185 25352 1431 1 15 . 1 1 10 10 ILE H H 10 7.621 7.621 7.921 -0.300 25352 1432 1 15 . 1 1 11 11 HIS H H 11 8.202 8.202 7.710 0.492 25352 1433 1 15 . 1 1 12 12 LEU HA H 12 4.447 4.447 3.987 0.460 25352 1434 1 15 . 1 1 12 12 LEU H H 12 8.123 8.123 7.585 0.538 25352 1435 1 15 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.655 -0.228 25352 1436 1 15 . 1 1 13 13 ALA H H 13 8.260 8.260 8.130 0.131 25352 1437 1 15 . 1 1 14 14 THR HA H 14 3.990 3.990 4.082 -0.092 25352 1438 1 15 . 1 1 14 14 THR H H 14 8.536 8.536 8.757 -0.221 25352 1439 1 15 . 1 1 15 15 GLY H H 15 8.295 8.295 7.665 0.630 25352 1440 1 15 . 1 1 16 16 THR HA H 16 3.898 3.898 4.471 -0.573 25352 1441 1 15 . 1 1 16 16 THR H H 16 7.981 7.981 7.881 0.100 25352 1442 1 15 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.281 -0.292 25352 1443 1 15 . 1 1 17 17 ALA H H 17 8.538 8.538 8.370 0.168 25352 1444 1 15 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.093 -0.160 25352 1445 1 15 . 1 1 18 18 ARG H H 18 7.905 7.905 8.772 -0.867 25352 1446 1 15 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.074 0.052 25352 1447 1 15 . 1 1 19 19 LYS H H 19 7.745 7.745 7.675 0.070 25352 1448 1 15 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.137 -0.006 25352 1449 1 15 . 1 1 20 20 LEU H H 20 7.926 7.926 7.306 0.620 25352 1450 1 15 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.052 -0.065 25352 1451 1 15 . 1 1 21 21 LEU H H 21 8.168 8.168 8.227 -0.059 25352 1452 1 15 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.690 -0.284 25352 1453 1 15 . 1 1 22 22 ASP H H 22 8.359 8.359 7.798 0.561 25352 1454 1 15 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.460 -0.229 25352 1455 1 15 . 1 1 23 23 ALA H H 23 7.772 7.772 8.163 -0.391 25352 1456 1 15 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.079 -0.119 25352 1457 1 15 . 1 1 24 24 VAL H H 24 7.992 7.992 8.727 -0.735 25352 1458 1 15 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.494 -0.214 25352 1459 1 15 . 1 1 25 25 ALA H H 25 8.314 8.314 7.522 0.792 25352 1460 1 15 . 1 1 26 26 SER HA H 26 4.391 4.391 4.224 0.167 25352 1461 1 15 . 1 1 26 26 SER H H 26 7.919 7.919 8.196 -0.277 25352 1462 1 15 . 1 1 27 27 GLY H H 27 8.225 8.225 7.653 0.572 25352 1463 1 15 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.776 -0.406 25352 1464 1 15 . 1 1 28 28 ALA H H 28 8.043 8.043 7.579 0.464 25352 1465 1 15 . 1 1 29 29 SER HA H 29 4.524 4.524 4.329 0.195 25352 1466 1 15 . 1 1 29 29 SER H H 29 8.207 8.207 8.717 -0.510 25352 1467 1 15 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.457 -0.221 25352 1468 1 15 . 1 1 30 30 LEU H H 30 8.232 8.232 8.369 -0.137 25352 1469 1 15 . 1 1 31 31 GLY H H 31 8.404 8.404 8.034 0.370 25352 1470 1 15 . 1 1 32 32 THR HA H 32 4.113 4.113 4.369 -0.256 25352 1471 1 15 . 1 1 32 32 THR H H 32 7.953 7.953 7.966 -0.013 25352 1472 1 15 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.195 -0.000 25352 1473 1 15 . 1 1 33 33 ALA H H 33 8.059 8.059 8.272 -0.213 25352 1474 1 15 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.303 0.039 25352 1475 1 15 . 1 1 34 34 PHE H H 34 8.243 8.243 8.178 0.065 25352 1476 1 15 . 1 1 35 35 ALA HA H 35 3.985 3.985 3.935 0.050 25352 1477 1 15 . 1 1 35 35 ALA H H 35 7.952 7.952 8.100 -0.148 25352 1478 1 15 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.225 -0.055 25352 1479 1 15 . 1 1 36 36 ALA H H 36 7.799 7.799 7.357 0.442 25352 1480 1 15 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.113 -0.196 25352 1481 1 15 . 1 1 37 37 ILE H H 37 7.795 7.795 7.149 0.646 25352 1482 1 15 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.308 -0.171 25352 1483 1 15 . 1 1 38 38 LEU H H 38 7.644 7.644 7.851 -0.207 25352 1484 1 15 . 1 1 39 39 GLY H H 39 7.839 7.839 7.382 0.457 25352 1485 1 15 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.797 0.441 25352 1486 1 15 . 1 1 40 40 VAL H H 40 7.352 7.352 7.463 -0.111 25352 1487 1 15 . 1 1 41 41 THR HA H 41 4.393 4.393 4.328 0.065 25352 1488 1 15 . 1 1 41 41 THR H H 41 7.981 7.981 7.429 0.552 25352 1489 1 15 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.745 -0.432 25352 1490 1 15 . 1 1 42 42 LEU H H 42 8.320 8.320 7.661 0.659 25352 1491 1 15 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.410 -0.029 25352 1492 1 15 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.401 -0.411 25352 1493 1 15 . 1 1 44 44 ALA H H 44 8.649 8.649 8.293 0.356 25352 1494 1 15 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.793 -0.323 25352 1495 1 15 . 1 1 45 45 TRP H H 45 7.594 7.594 7.633 -0.039 25352 1496 1 15 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.412 0.481 25352 1497 1 15 . 1 1 46 46 ALA H H 46 6.722 6.722 7.487 -0.765 25352 1498 1 15 . 1 1 47 47 LEU HA H 47 3.983 3.983 4.186 -0.203 25352 1499 1 15 . 1 1 47 47 LEU H H 47 7.313 7.313 7.845 -0.532 25352 1500 1 15 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.414 -0.232 25352 1501 1 15 . 1 1 48 48 ALA H H 48 7.949 7.949 7.868 0.081 25352 1502 1 15 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.284 -0.109 25352 1503 1 15 . 1 1 49 49 ALA H H 49 8.047 8.047 8.818 -0.771 25352 1504 1 15 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.118 -0.110 25352 1505 1 15 . 1 1 50 50 ALA H H 50 8.110 8.110 7.688 0.422 25352 1506 1 15 . 1 1 51 51 GLY H H 51 8.130 8.130 7.593 0.537 25352 1507 1 15 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.129 -0.116 25352 1508 1 15 . 1 1 52 52 ALA H H 52 7.919 7.919 7.483 0.436 25352 1509 1 15 . 1 1 54 54 GLY H H 54 8.225 8.225 7.466 0.759 25352 1510 1 15 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.670 -0.449 25352 1511 1 15 . 1 1 55 55 ALA H H 55 8.042 8.042 7.451 0.591 25352 1512 1 15 . 1 1 56 56 THR HA H 56 4.120 4.120 4.087 0.033 25352 1513 1 15 . 1 1 56 56 THR H H 56 7.890 7.890 8.840 -0.950 25352 1514 1 15 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.271 0.113 25352 1515 1 15 . 1 1 57 57 ALA H H 57 8.158 8.158 8.314 -0.156 25352 1516 1 16 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.138 0.136 25352 1517 1 16 . 1 1 2 2 TYR H H 2 7.749 7.749 8.116 -0.367 25352 1518 1 16 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.451 -0.143 25352 1519 1 16 . 1 1 3 3 TRP H H 3 8.235 8.235 7.632 0.603 25352 1520 1 16 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.750 -0.189 25352 1521 1 16 . 1 1 4 4 ILE H H 4 8.505 8.505 7.850 0.655 25352 1522 1 16 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.301 -0.089 25352 1523 1 16 . 1 1 5 5 ALA H H 5 8.059 8.059 7.532 0.527 25352 1524 1 16 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.800 -0.429 25352 1525 1 16 . 1 1 6 6 ASP H H 6 8.076 8.076 7.585 0.491 25352 1526 1 16 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.934 -0.210 25352 1527 1 16 . 1 1 7 7 GLN H H 7 8.055 8.055 7.556 0.499 25352 1528 1 16 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.341 0.211 25352 1529 1 16 . 1 1 8 8 PHE H H 8 7.830 7.830 7.804 0.026 25352 1530 1 16 . 1 1 9 9 GLY H H 9 7.864 7.864 8.887 -1.023 25352 1531 1 16 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.381 -0.294 25352 1532 1 16 . 1 1 10 10 ILE H H 10 7.621 7.621 7.744 -0.123 25352 1533 1 16 . 1 1 11 11 HIS H H 11 8.202 8.202 8.717 -0.515 25352 1534 1 16 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.380 0.067 25352 1535 1 16 . 1 1 12 12 LEU H H 12 8.123 8.123 8.131 -0.008 25352 1536 1 16 . 1 1 13 13 ALA HA H 13 4.427 4.427 3.906 0.521 25352 1537 1 16 . 1 1 13 13 ALA H H 13 8.260 8.260 8.287 -0.027 25352 1538 1 16 . 1 1 14 14 THR HA H 14 3.990 3.990 4.110 -0.120 25352 1539 1 16 . 1 1 14 14 THR H H 14 8.536 8.536 8.531 0.005 25352 1540 1 16 . 1 1 15 15 GLY H H 15 8.295 8.295 8.091 0.204 25352 1541 1 16 . 1 1 16 16 THR HA H 16 3.898 3.898 3.840 0.058 25352 1542 1 16 . 1 1 16 16 THR H H 16 7.981 7.981 7.619 0.362 25352 1543 1 16 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.023 -0.034 25352 1544 1 16 . 1 1 17 17 ALA H H 17 8.538 8.538 8.226 0.312 25352 1545 1 16 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.082 -0.149 25352 1546 1 16 . 1 1 18 18 ARG H H 18 7.905 7.905 8.261 -0.356 25352 1547 1 16 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.090 0.036 25352 1548 1 16 . 1 1 19 19 LYS H H 19 7.745 7.745 8.024 -0.279 25352 1549 1 16 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.105 0.026 25352 1550 1 16 . 1 1 20 20 LEU H H 20 7.926 7.926 7.593 0.333 25352 1551 1 16 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.003 -0.016 25352 1552 1 16 . 1 1 21 21 LEU H H 21 8.168 8.168 7.843 0.325 25352 1553 1 16 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.653 -0.247 25352 1554 1 16 . 1 1 22 22 ASP H H 22 8.359 8.359 7.557 0.802 25352 1555 1 16 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.462 -0.231 25352 1556 1 16 . 1 1 23 23 ALA H H 23 7.772 7.772 8.137 -0.365 25352 1557 1 16 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.077 -0.117 25352 1558 1 16 . 1 1 24 24 VAL H H 24 7.992 7.992 8.620 -0.628 25352 1559 1 16 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.619 -0.339 25352 1560 1 16 . 1 1 25 25 ALA H H 25 8.314 8.314 7.645 0.669 25352 1561 1 16 . 1 1 26 26 SER HA H 26 4.391 4.391 4.153 0.238 25352 1562 1 16 . 1 1 26 26 SER H H 26 7.919 7.919 8.392 -0.473 25352 1563 1 16 . 1 1 27 27 GLY H H 27 8.225 8.225 7.857 0.368 25352 1564 1 16 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.774 -0.404 25352 1565 1 16 . 1 1 28 28 ALA H H 28 8.043 8.043 7.592 0.451 25352 1566 1 16 . 1 1 29 29 SER HA H 29 4.524 4.524 4.341 0.183 25352 1567 1 16 . 1 1 29 29 SER H H 29 8.207 8.207 8.815 -0.608 25352 1568 1 16 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.464 -0.228 25352 1569 1 16 . 1 1 30 30 LEU H H 30 8.232 8.232 8.335 -0.103 25352 1570 1 16 . 1 1 31 31 GLY H H 31 8.404 8.404 8.304 0.100 25352 1571 1 16 . 1 1 32 32 THR HA H 32 4.113 4.113 4.370 -0.257 25352 1572 1 16 . 1 1 32 32 THR H H 32 7.953 7.953 7.933 0.020 25352 1573 1 16 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.381 -0.186 25352 1574 1 16 . 1 1 33 33 ALA H H 33 8.059 8.059 8.050 0.009 25352 1575 1 16 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.382 -0.040 25352 1576 1 16 . 1 1 34 34 PHE H H 34 8.243 8.243 8.139 0.104 25352 1577 1 16 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.030 -0.045 25352 1578 1 16 . 1 1 35 35 ALA H H 35 7.952 7.952 8.255 -0.303 25352 1579 1 16 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.317 -0.147 25352 1580 1 16 . 1 1 36 36 ALA H H 36 7.799 7.799 7.367 0.432 25352 1581 1 16 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.203 -0.286 25352 1582 1 16 . 1 1 37 37 ILE H H 37 7.795 7.795 6.954 0.841 25352 1583 1 16 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.288 -0.151 25352 1584 1 16 . 1 1 38 38 LEU H H 38 7.644 7.644 8.032 -0.388 25352 1585 1 16 . 1 1 39 39 GLY H H 39 7.839 7.839 7.556 0.283 25352 1586 1 16 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.794 0.444 25352 1587 1 16 . 1 1 40 40 VAL H H 40 7.352 7.352 7.510 -0.158 25352 1588 1 16 . 1 1 41 41 THR HA H 41 4.393 4.393 4.321 0.072 25352 1589 1 16 . 1 1 41 41 THR H H 41 7.981 7.981 7.450 0.531 25352 1590 1 16 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.677 -0.364 25352 1591 1 16 . 1 1 42 42 LEU H H 42 8.320 8.320 7.666 0.654 25352 1592 1 16 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.400 -0.019 25352 1593 1 16 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.393 -0.403 25352 1594 1 16 . 1 1 44 44 ALA H H 44 8.649 8.649 8.315 0.334 25352 1595 1 16 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.748 -0.278 25352 1596 1 16 . 1 1 45 45 TRP H H 45 7.594 7.594 7.736 -0.142 25352 1597 1 16 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.302 0.591 25352 1598 1 16 . 1 1 46 46 ALA H H 46 6.722 6.722 7.361 -0.639 25352 1599 1 16 . 1 1 47 47 LEU HA H 47 3.983 3.983 4.084 -0.101 25352 1600 1 16 . 1 1 47 47 LEU H H 47 7.313 7.313 7.871 -0.558 25352 1601 1 16 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.292 -0.110 25352 1602 1 16 . 1 1 48 48 ALA H H 48 7.949 7.949 7.690 0.259 25352 1603 1 16 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.161 0.014 25352 1604 1 16 . 1 1 49 49 ALA H H 49 8.047 8.047 8.464 -0.417 25352 1605 1 16 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.080 -0.072 25352 1606 1 16 . 1 1 50 50 ALA H H 50 8.110 8.110 8.397 -0.287 25352 1607 1 16 . 1 1 51 51 GLY H H 51 8.130 8.130 7.571 0.559 25352 1608 1 16 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.384 -0.371 25352 1609 1 16 . 1 1 52 52 ALA H H 52 7.919 7.919 7.282 0.637 25352 1610 1 16 . 1 1 54 54 GLY H H 54 8.225 8.225 7.501 0.724 25352 1611 1 16 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.510 -0.289 25352 1612 1 16 . 1 1 55 55 ALA H H 55 8.042 8.042 8.084 -0.042 25352 1613 1 16 . 1 1 56 56 THR HA H 56 4.120 4.120 4.023 0.097 25352 1614 1 16 . 1 1 56 56 THR H H 56 7.890 7.890 8.289 -0.399 25352 1615 1 16 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.308 0.076 25352 1616 1 16 . 1 1 57 57 ALA H H 57 8.158 8.158 8.354 -0.196 25352 1617 1 17 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.135 0.139 25352 1618 1 17 . 1 1 2 2 TYR H H 2 7.749 7.749 7.800 -0.051 25352 1619 1 17 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.482 -0.174 25352 1620 1 17 . 1 1 3 3 TRP H H 3 8.235 8.235 7.914 0.321 25352 1621 1 17 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.818 -0.257 25352 1622 1 17 . 1 1 4 4 ILE H H 4 8.505 8.505 7.285 1.220 25352 1623 1 17 . 1 1 5 5 ALA HA H 5 4.212 4.212 3.805 0.407 25352 1624 1 17 . 1 1 5 5 ALA H H 5 8.059 8.059 7.291 0.768 25352 1625 1 17 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.753 -0.382 25352 1626 1 17 . 1 1 6 6 ASP H H 6 8.076 8.076 7.473 0.603 25352 1627 1 17 . 1 1 7 7 GLN HA H 7 3.724 3.724 4.206 -0.482 25352 1628 1 17 . 1 1 7 7 GLN H H 7 8.055 8.055 7.554 0.501 25352 1629 1 17 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.593 -0.041 25352 1630 1 17 . 1 1 8 8 PHE H H 8 7.830 7.830 7.662 0.168 25352 1631 1 17 . 1 1 9 9 GLY H H 9 7.864 7.864 9.068 -1.204 25352 1632 1 17 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.496 -0.409 25352 1633 1 17 . 1 1 10 10 ILE H H 10 7.621 7.621 8.339 -0.718 25352 1634 1 17 . 1 1 11 11 HIS H H 11 8.202 8.202 7.973 0.229 25352 1635 1 17 . 1 1 12 12 LEU HA H 12 4.447 4.447 3.954 0.493 25352 1636 1 17 . 1 1 12 12 LEU H H 12 8.123 8.123 7.703 0.420 25352 1637 1 17 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.169 0.258 25352 1638 1 17 . 1 1 13 13 ALA H H 13 8.260 8.260 8.376 -0.116 25352 1639 1 17 . 1 1 14 14 THR HA H 14 3.990 3.990 4.278 -0.288 25352 1640 1 17 . 1 1 14 14 THR H H 14 8.536 8.536 8.338 0.198 25352 1641 1 17 . 1 1 15 15 GLY H H 15 8.295 8.295 7.633 0.662 25352 1642 1 17 . 1 1 16 16 THR HA H 16 3.898 3.898 4.180 -0.282 25352 1643 1 17 . 1 1 16 16 THR H H 16 7.981 7.981 7.931 0.050 25352 1644 1 17 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.542 -0.553 25352 1645 1 17 . 1 1 17 17 ALA H H 17 8.538 8.538 8.006 0.532 25352 1646 1 17 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.402 -0.469 25352 1647 1 17 . 1 1 18 18 ARG H H 18 7.905 7.905 8.662 -0.757 25352 1648 1 17 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.162 -0.036 25352 1649 1 17 . 1 1 19 19 LYS H H 19 7.745 7.745 8.222 -0.477 25352 1650 1 17 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.155 -0.024 25352 1651 1 17 . 1 1 20 20 LEU H H 20 7.926 7.926 7.559 0.367 25352 1652 1 17 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.039 -0.052 25352 1653 1 17 . 1 1 21 21 LEU H H 21 8.168 8.168 7.717 0.451 25352 1654 1 17 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.618 -0.212 25352 1655 1 17 . 1 1 22 22 ASP H H 22 8.359 8.359 7.678 0.681 25352 1656 1 17 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.583 -0.352 25352 1657 1 17 . 1 1 23 23 ALA H H 23 7.772 7.772 7.844 -0.072 25352 1658 1 17 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.145 -0.185 25352 1659 1 17 . 1 1 24 24 VAL H H 24 7.992 7.992 8.630 -0.638 25352 1660 1 17 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.530 -0.250 25352 1661 1 17 . 1 1 25 25 ALA H H 25 8.314 8.314 7.480 0.834 25352 1662 1 17 . 1 1 26 26 SER HA H 26 4.391 4.391 4.182 0.209 25352 1663 1 17 . 1 1 26 26 SER H H 26 7.919 7.919 8.222 -0.303 25352 1664 1 17 . 1 1 27 27 GLY H H 27 8.225 8.225 7.674 0.551 25352 1665 1 17 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.787 -0.417 25352 1666 1 17 . 1 1 28 28 ALA H H 28 8.043 8.043 7.481 0.562 25352 1667 1 17 . 1 1 29 29 SER HA H 29 4.524 4.524 4.332 0.192 25352 1668 1 17 . 1 1 29 29 SER H H 29 8.207 8.207 8.685 -0.478 25352 1669 1 17 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.423 -0.187 25352 1670 1 17 . 1 1 30 30 LEU H H 30 8.232 8.232 8.326 -0.094 25352 1671 1 17 . 1 1 31 31 GLY H H 31 8.404 8.404 8.173 0.231 25352 1672 1 17 . 1 1 32 32 THR HA H 32 4.113 4.113 4.358 -0.245 25352 1673 1 17 . 1 1 32 32 THR H H 32 7.953 7.953 7.934 0.019 25352 1674 1 17 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.220 -0.025 25352 1675 1 17 . 1 1 33 33 ALA H H 33 8.059 8.059 8.301 -0.242 25352 1676 1 17 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.332 0.010 25352 1677 1 17 . 1 1 34 34 PHE H H 34 8.243 8.243 8.201 0.042 25352 1678 1 17 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.100 -0.115 25352 1679 1 17 . 1 1 35 35 ALA H H 35 7.952 7.952 7.990 -0.038 25352 1680 1 17 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.250 -0.080 25352 1681 1 17 . 1 1 36 36 ALA H H 36 7.799 7.799 7.498 0.301 25352 1682 1 17 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.059 -0.142 25352 1683 1 17 . 1 1 37 37 ILE H H 37 7.795 7.795 7.175 0.620 25352 1684 1 17 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.239 -0.102 25352 1685 1 17 . 1 1 38 38 LEU H H 38 7.644 7.644 8.021 -0.377 25352 1686 1 17 . 1 1 39 39 GLY H H 39 7.839 7.839 7.258 0.581 25352 1687 1 17 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.840 0.398 25352 1688 1 17 . 1 1 40 40 VAL H H 40 7.352 7.352 7.772 -0.420 25352 1689 1 17 . 1 1 41 41 THR HA H 41 4.393 4.393 4.310 0.083 25352 1690 1 17 . 1 1 41 41 THR H H 41 7.981 7.981 7.510 0.471 25352 1691 1 17 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.611 -0.298 25352 1692 1 17 . 1 1 42 42 LEU H H 42 8.320 8.320 7.366 0.954 25352 1693 1 17 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.452 -0.071 25352 1694 1 17 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.400 -0.410 25352 1695 1 17 . 1 1 44 44 ALA H H 44 8.649 8.649 8.329 0.320 25352 1696 1 17 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.814 -0.344 25352 1697 1 17 . 1 1 45 45 TRP H H 45 7.594 7.594 7.663 -0.069 25352 1698 1 17 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.464 0.429 25352 1699 1 17 . 1 1 46 46 ALA H H 46 6.722 6.722 7.297 -0.575 25352 1700 1 17 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.869 0.114 25352 1701 1 17 . 1 1 47 47 LEU H H 47 7.313 7.313 8.143 -0.830 25352 1702 1 17 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.235 -0.053 25352 1703 1 17 . 1 1 48 48 ALA H H 48 7.949 7.949 7.958 -0.009 25352 1704 1 17 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.126 0.049 25352 1705 1 17 . 1 1 49 49 ALA H H 49 8.047 8.047 7.864 0.183 25352 1706 1 17 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.103 -0.095 25352 1707 1 17 . 1 1 50 50 ALA H H 50 8.110 8.110 7.572 0.538 25352 1708 1 17 . 1 1 51 51 GLY H H 51 8.130 8.130 7.693 0.437 25352 1709 1 17 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.184 -0.171 25352 1710 1 17 . 1 1 52 52 ALA H H 52 7.919 7.919 7.422 0.497 25352 1711 1 17 . 1 1 54 54 GLY H H 54 8.225 8.225 8.661 -0.436 25352 1712 1 17 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.603 -0.382 25352 1713 1 17 . 1 1 55 55 ALA H H 55 8.042 8.042 7.744 0.298 25352 1714 1 17 . 1 1 56 56 THR HA H 56 4.120 4.120 4.111 0.009 25352 1715 1 17 . 1 1 56 56 THR H H 56 7.890 7.890 7.935 -0.045 25352 1716 1 17 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.624 -0.240 25352 1717 1 17 . 1 1 57 57 ALA H H 57 8.158 8.158 8.290 -0.132 25352 1718 1 18 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.167 0.107 25352 1719 1 18 . 1 1 2 2 TYR H H 2 7.749 7.749 7.772 -0.023 25352 1720 1 18 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.352 -0.044 25352 1721 1 18 . 1 1 3 3 TRP H H 3 8.235 8.235 7.652 0.583 25352 1722 1 18 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.263 0.298 25352 1723 1 18 . 1 1 4 4 ILE H H 4 8.505 8.505 7.488 1.017 25352 1724 1 18 . 1 1 5 5 ALA HA H 5 4.212 4.212 3.862 0.350 25352 1725 1 18 . 1 1 5 5 ALA H H 5 8.059 8.059 7.676 0.383 25352 1726 1 18 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.462 -0.091 25352 1727 1 18 . 1 1 6 6 ASP H H 6 8.076 8.076 7.382 0.694 25352 1728 1 18 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.931 -0.207 25352 1729 1 18 . 1 1 7 7 GLN H H 7 8.055 8.055 7.506 0.549 25352 1730 1 18 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.807 -0.255 25352 1731 1 18 . 1 1 8 8 PHE H H 8 7.830 7.830 7.609 0.221 25352 1732 1 18 . 1 1 9 9 GLY H H 9 7.864 7.864 8.711 -0.847 25352 1733 1 18 . 1 1 10 10 ILE HA H 10 4.087 4.087 3.872 0.215 25352 1734 1 18 . 1 1 10 10 ILE H H 10 7.621 7.621 7.299 0.322 25352 1735 1 18 . 1 1 11 11 HIS H H 11 8.202 8.202 8.263 -0.061 25352 1736 1 18 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.172 0.275 25352 1737 1 18 . 1 1 12 12 LEU H H 12 8.123 8.123 7.849 0.274 25352 1738 1 18 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.363 0.064 25352 1739 1 18 . 1 1 13 13 ALA H H 13 8.260 8.260 8.200 0.060 25352 1740 1 18 . 1 1 14 14 THR HA H 14 3.990 3.990 4.365 -0.375 25352 1741 1 18 . 1 1 14 14 THR H H 14 8.536 8.536 8.772 -0.236 25352 1742 1 18 . 1 1 15 15 GLY H H 15 8.295 8.295 7.737 0.558 25352 1743 1 18 . 1 1 16 16 THR HA H 16 3.898 3.898 4.023 -0.125 25352 1744 1 18 . 1 1 16 16 THR H H 16 7.981 7.981 7.722 0.259 25352 1745 1 18 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.433 -0.444 25352 1746 1 18 . 1 1 17 17 ALA H H 17 8.538 8.538 8.589 -0.051 25352 1747 1 18 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.043 -0.110 25352 1748 1 18 . 1 1 18 18 ARG H H 18 7.905 7.905 8.758 -0.853 25352 1749 1 18 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.122 0.004 25352 1750 1 18 . 1 1 19 19 LYS H H 19 7.745 7.745 8.274 -0.529 25352 1751 1 18 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.135 -0.004 25352 1752 1 18 . 1 1 20 20 LEU H H 20 7.926 7.926 7.306 0.620 25352 1753 1 18 . 1 1 21 21 LEU HA H 21 3.987 3.987 3.997 -0.010 25352 1754 1 18 . 1 1 21 21 LEU H H 21 8.168 8.168 8.054 0.114 25352 1755 1 18 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.642 -0.236 25352 1756 1 18 . 1 1 22 22 ASP H H 22 8.359 8.359 7.615 0.744 25352 1757 1 18 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.554 -0.323 25352 1758 1 18 . 1 1 23 23 ALA H H 23 7.772 7.772 8.012 -0.240 25352 1759 1 18 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.094 -0.134 25352 1760 1 18 . 1 1 24 24 VAL H H 24 7.992 7.992 8.515 -0.523 25352 1761 1 18 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.531 -0.251 25352 1762 1 18 . 1 1 25 25 ALA H H 25 8.314 8.314 7.452 0.862 25352 1763 1 18 . 1 1 26 26 SER HA H 26 4.391 4.391 4.195 0.196 25352 1764 1 18 . 1 1 26 26 SER H H 26 7.919 7.919 8.242 -0.323 25352 1765 1 18 . 1 1 27 27 GLY H H 27 8.225 8.225 7.705 0.520 25352 1766 1 18 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.742 -0.372 25352 1767 1 18 . 1 1 28 28 ALA H H 28 8.043 8.043 7.651 0.392 25352 1768 1 18 . 1 1 29 29 SER HA H 29 4.524 4.524 4.304 0.220 25352 1769 1 18 . 1 1 29 29 SER H H 29 8.207 8.207 8.806 -0.599 25352 1770 1 18 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.456 -0.220 25352 1771 1 18 . 1 1 30 30 LEU H H 30 8.232 8.232 8.553 -0.321 25352 1772 1 18 . 1 1 31 31 GLY H H 31 8.404 8.404 8.042 0.362 25352 1773 1 18 . 1 1 32 32 THR HA H 32 4.113 4.113 4.375 -0.262 25352 1774 1 18 . 1 1 32 32 THR H H 32 7.953 7.953 7.937 0.016 25352 1775 1 18 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.213 -0.018 25352 1776 1 18 . 1 1 33 33 ALA H H 33 8.059 8.059 8.244 -0.185 25352 1777 1 18 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.416 -0.074 25352 1778 1 18 . 1 1 34 34 PHE H H 34 8.243 8.243 8.023 0.220 25352 1779 1 18 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.165 -0.180 25352 1780 1 18 . 1 1 35 35 ALA H H 35 7.952 7.952 8.056 -0.104 25352 1781 1 18 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.304 -0.134 25352 1782 1 18 . 1 1 36 36 ALA H H 36 7.799 7.799 7.549 0.250 25352 1783 1 18 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.241 -0.324 25352 1784 1 18 . 1 1 37 37 ILE H H 37 7.795 7.795 6.925 0.870 25352 1785 1 18 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.320 -0.183 25352 1786 1 18 . 1 1 38 38 LEU H H 38 7.644 7.644 7.962 -0.318 25352 1787 1 18 . 1 1 39 39 GLY H H 39 7.839 7.839 7.428 0.411 25352 1788 1 18 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.808 0.430 25352 1789 1 18 . 1 1 40 40 VAL H H 40 7.352 7.352 7.745 -0.393 25352 1790 1 18 . 1 1 41 41 THR HA H 41 4.393 4.393 4.207 0.186 25352 1791 1 18 . 1 1 41 41 THR H H 41 7.981 7.981 7.424 0.557 25352 1792 1 18 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.558 -0.245 25352 1793 1 18 . 1 1 42 42 LEU H H 42 8.320 8.320 7.328 0.992 25352 1794 1 18 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.438 -0.057 25352 1795 1 18 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.396 -0.406 25352 1796 1 18 . 1 1 44 44 ALA H H 44 8.649 8.649 8.368 0.281 25352 1797 1 18 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.741 -0.271 25352 1798 1 18 . 1 1 45 45 TRP H H 45 7.594 7.594 7.919 -0.325 25352 1799 1 18 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.459 0.434 25352 1800 1 18 . 1 1 46 46 ALA H H 46 6.722 6.722 7.332 -0.610 25352 1801 1 18 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.926 0.057 25352 1802 1 18 . 1 1 47 47 LEU H H 47 7.313 7.313 8.129 -0.816 25352 1803 1 18 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.087 0.095 25352 1804 1 18 . 1 1 48 48 ALA H H 48 7.949 7.949 8.054 -0.105 25352 1805 1 18 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.108 0.067 25352 1806 1 18 . 1 1 49 49 ALA H H 49 8.047 8.047 7.672 0.375 25352 1807 1 18 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.028 -0.020 25352 1808 1 18 . 1 1 50 50 ALA H H 50 8.110 8.110 7.577 0.533 25352 1809 1 18 . 1 1 51 51 GLY H H 51 8.130 8.130 7.871 0.259 25352 1810 1 18 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.424 -0.411 25352 1811 1 18 . 1 1 52 52 ALA H H 52 7.919 7.919 8.166 -0.247 25352 1812 1 18 . 1 1 54 54 GLY H H 54 8.225 8.225 8.435 -0.210 25352 1813 1 18 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.396 -0.175 25352 1814 1 18 . 1 1 55 55 ALA H H 55 8.042 8.042 7.684 0.358 25352 1815 1 18 . 1 1 56 56 THR HA H 56 4.120 4.120 4.249 -0.129 25352 1816 1 18 . 1 1 56 56 THR H H 56 7.890 7.890 8.093 -0.203 25352 1817 1 18 . 1 1 57 57 ALA HA H 57 4.384 4.384 3.936 0.448 25352 1818 1 18 . 1 1 57 57 ALA H H 57 8.158 8.158 8.151 0.007 25352 1819 1 19 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.226 0.048 25352 1820 1 19 . 1 1 2 2 TYR H H 2 7.749 7.749 7.911 -0.162 25352 1821 1 19 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.439 -0.131 25352 1822 1 19 . 1 1 3 3 TRP H H 3 8.235 8.235 7.928 0.307 25352 1823 1 19 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.618 -0.057 25352 1824 1 19 . 1 1 4 4 ILE H H 4 8.505 8.505 7.996 0.509 25352 1825 1 19 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.111 0.101 25352 1826 1 19 . 1 1 5 5 ALA H H 5 8.059 8.059 7.973 0.086 25352 1827 1 19 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.662 -0.291 25352 1828 1 19 . 1 1 6 6 ASP H H 6 8.076 8.076 7.553 0.523 25352 1829 1 19 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.915 -0.191 25352 1830 1 19 . 1 1 7 7 GLN H H 7 8.055 8.055 7.656 0.399 25352 1831 1 19 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.665 -0.113 25352 1832 1 19 . 1 1 8 8 PHE H H 8 7.830 7.830 8.090 -0.260 25352 1833 1 19 . 1 1 9 9 GLY H H 9 7.864 7.864 8.803 -0.939 25352 1834 1 19 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.385 -0.298 25352 1835 1 19 . 1 1 10 10 ILE H H 10 7.621 7.621 7.555 0.066 25352 1836 1 19 . 1 1 11 11 HIS H H 11 8.202 8.202 8.126 0.076 25352 1837 1 19 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.093 0.354 25352 1838 1 19 . 1 1 12 12 LEU H H 12 8.123 8.123 7.775 0.348 25352 1839 1 19 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.540 -0.113 25352 1840 1 19 . 1 1 13 13 ALA H H 13 8.260 8.260 8.095 0.165 25352 1841 1 19 . 1 1 14 14 THR HA H 14 3.990 3.990 4.447 -0.457 25352 1842 1 19 . 1 1 14 14 THR H H 14 8.536 8.536 8.192 0.344 25352 1843 1 19 . 1 1 15 15 GLY H H 15 8.295 8.295 8.283 0.012 25352 1844 1 19 . 1 1 16 16 THR HA H 16 3.898 3.898 4.389 -0.491 25352 1845 1 19 . 1 1 16 16 THR H H 16 7.981 7.981 7.875 0.106 25352 1846 1 19 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.108 -0.119 25352 1847 1 19 . 1 1 17 17 ALA H H 17 8.538 8.538 8.496 0.042 25352 1848 1 19 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.122 -0.189 25352 1849 1 19 . 1 1 18 18 ARG H H 18 7.905 7.905 7.911 -0.006 25352 1850 1 19 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.113 0.013 25352 1851 1 19 . 1 1 19 19 LYS H H 19 7.745 7.745 7.752 -0.007 25352 1852 1 19 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.098 0.033 25352 1853 1 19 . 1 1 20 20 LEU H H 20 7.926 7.926 7.983 -0.057 25352 1854 1 19 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.047 -0.060 25352 1855 1 19 . 1 1 21 21 LEU H H 21 8.168 8.168 8.108 0.060 25352 1856 1 19 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.686 -0.280 25352 1857 1 19 . 1 1 22 22 ASP H H 22 8.359 8.359 7.625 0.734 25352 1858 1 19 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.538 -0.307 25352 1859 1 19 . 1 1 23 23 ALA H H 23 7.772 7.772 7.981 -0.209 25352 1860 1 19 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.094 -0.134 25352 1861 1 19 . 1 1 24 24 VAL H H 24 7.992 7.992 8.734 -0.742 25352 1862 1 19 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.502 -0.222 25352 1863 1 19 . 1 1 25 25 ALA H H 25 8.314 8.314 7.574 0.740 25352 1864 1 19 . 1 1 26 26 SER HA H 26 4.391 4.391 4.141 0.250 25352 1865 1 19 . 1 1 26 26 SER H H 26 7.919 7.919 8.218 -0.299 25352 1866 1 19 . 1 1 27 27 GLY H H 27 8.225 8.225 7.679 0.546 25352 1867 1 19 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.768 -0.398 25352 1868 1 19 . 1 1 28 28 ALA H H 28 8.043 8.043 7.557 0.486 25352 1869 1 19 . 1 1 29 29 SER HA H 29 4.524 4.524 4.302 0.222 25352 1870 1 19 . 1 1 29 29 SER H H 29 8.207 8.207 8.767 -0.560 25352 1871 1 19 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.475 -0.239 25352 1872 1 19 . 1 1 30 30 LEU H H 30 8.232 8.232 8.630 -0.398 25352 1873 1 19 . 1 1 31 31 GLY H H 31 8.404 8.404 8.417 -0.013 25352 1874 1 19 . 1 1 32 32 THR HA H 32 4.113 4.113 4.276 -0.163 25352 1875 1 19 . 1 1 32 32 THR H H 32 7.953 7.953 7.993 -0.040 25352 1876 1 19 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.153 0.042 25352 1877 1 19 . 1 1 33 33 ALA H H 33 8.059 8.059 8.508 -0.449 25352 1878 1 19 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.372 -0.030 25352 1879 1 19 . 1 1 34 34 PHE H H 34 8.243 8.243 8.021 0.222 25352 1880 1 19 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.104 -0.119 25352 1881 1 19 . 1 1 35 35 ALA H H 35 7.952 7.952 8.110 -0.158 25352 1882 1 19 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.212 -0.042 25352 1883 1 19 . 1 1 36 36 ALA H H 36 7.799 7.799 7.451 0.348 25352 1884 1 19 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.210 -0.293 25352 1885 1 19 . 1 1 37 37 ILE H H 37 7.795 7.795 7.166 0.629 25352 1886 1 19 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.120 0.017 25352 1887 1 19 . 1 1 38 38 LEU H H 38 7.644 7.644 7.837 -0.193 25352 1888 1 19 . 1 1 39 39 GLY H H 39 7.839 7.839 7.301 0.538 25352 1889 1 19 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.823 0.415 25352 1890 1 19 . 1 1 40 40 VAL H H 40 7.352 7.352 7.703 -0.351 25352 1891 1 19 . 1 1 41 41 THR HA H 41 4.393 4.393 4.281 0.112 25352 1892 1 19 . 1 1 41 41 THR H H 41 7.981 7.981 7.397 0.584 25352 1893 1 19 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.498 -0.185 25352 1894 1 19 . 1 1 42 42 LEU H H 42 8.320 8.320 7.251 1.069 25352 1895 1 19 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.425 -0.044 25352 1896 1 19 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.371 -0.381 25352 1897 1 19 . 1 1 44 44 ALA H H 44 8.649 8.649 8.308 0.341 25352 1898 1 19 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.728 -0.258 25352 1899 1 19 . 1 1 45 45 TRP H H 45 7.594 7.594 7.808 -0.214 25352 1900 1 19 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.373 0.520 25352 1901 1 19 . 1 1 46 46 ALA H H 46 6.722 6.722 7.331 -0.609 25352 1902 1 19 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.998 -0.015 25352 1903 1 19 . 1 1 47 47 LEU H H 47 7.313 7.313 8.062 -0.749 25352 1904 1 19 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.281 -0.099 25352 1905 1 19 . 1 1 48 48 ALA H H 48 7.949 7.949 7.675 0.274 25352 1906 1 19 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.134 0.041 25352 1907 1 19 . 1 1 49 49 ALA H H 49 8.047 8.047 8.120 -0.073 25352 1908 1 19 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.209 -0.201 25352 1909 1 19 . 1 1 50 50 ALA H H 50 8.110 8.110 8.283 -0.173 25352 1910 1 19 . 1 1 51 51 GLY H H 51 8.130 8.130 7.524 0.606 25352 1911 1 19 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.194 -0.181 25352 1912 1 19 . 1 1 52 52 ALA H H 52 7.919 7.919 7.719 0.200 25352 1913 1 19 . 1 1 54 54 GLY H H 54 8.225 8.225 8.389 -0.164 25352 1914 1 19 . 1 1 55 55 ALA HA H 55 4.221 4.221 3.956 0.265 25352 1915 1 19 . 1 1 55 55 ALA H H 55 8.042 8.042 8.273 -0.231 25352 1916 1 19 . 1 1 56 56 THR HA H 56 4.120 4.120 4.329 -0.209 25352 1917 1 19 . 1 1 56 56 THR H H 56 7.890 7.890 8.518 -0.628 25352 1918 1 19 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.736 -0.352 25352 1919 1 19 . 1 1 57 57 ALA H H 57 8.158 8.158 7.818 0.340 25352 1920 1 20 . 1 1 2 2 TYR HA H 2 4.274 4.274 4.448 -0.174 25352 1921 1 20 . 1 1 2 2 TYR H H 2 7.749 7.749 8.133 -0.384 25352 1922 1 20 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.504 -0.196 25352 1923 1 20 . 1 1 3 3 TRP H H 3 8.235 8.235 8.296 -0.061 25352 1924 1 20 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.913 -0.352 25352 1925 1 20 . 1 1 4 4 ILE H H 4 8.505 8.505 7.963 0.542 25352 1926 1 20 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.080 0.132 25352 1927 1 20 . 1 1 5 5 ALA H H 5 8.059 8.059 7.889 0.170 25352 1928 1 20 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.559 -0.188 25352 1929 1 20 . 1 1 6 6 ASP H H 6 8.076 8.076 7.635 0.441 25352 1930 1 20 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.746 -0.022 25352 1931 1 20 . 1 1 7 7 GLN H H 7 8.055 8.055 7.615 0.440 25352 1932 1 20 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.678 -0.126 25352 1933 1 20 . 1 1 8 8 PHE H H 8 7.830 7.830 7.799 0.031 25352 1934 1 20 . 1 1 9 9 GLY H H 9 7.864 7.864 8.352 -0.488 25352 1935 1 20 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.004 0.083 25352 1936 1 20 . 1 1 10 10 ILE H H 10 7.621 7.621 7.495 0.126 25352 1937 1 20 . 1 1 11 11 HIS H H 11 8.202 8.202 7.831 0.371 25352 1938 1 20 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.550 -0.103 25352 1939 1 20 . 1 1 12 12 LEU H H 12 8.123 8.123 7.057 1.066 25352 1940 1 20 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.127 0.300 25352 1941 1 20 . 1 1 13 13 ALA H H 13 8.260 8.260 8.625 -0.365 25352 1942 1 20 . 1 1 14 14 THR HA H 14 3.990 3.990 4.473 -0.483 25352 1943 1 20 . 1 1 14 14 THR H H 14 8.536 8.536 8.213 0.323 25352 1944 1 20 . 1 1 15 15 GLY H H 15 8.295 8.295 8.028 0.267 25352 1945 1 20 . 1 1 16 16 THR HA H 16 3.898 3.898 4.566 -0.668 25352 1946 1 20 . 1 1 16 16 THR H H 16 7.981 7.981 7.973 0.008 25352 1947 1 20 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.708 -0.719 25352 1948 1 20 . 1 1 17 17 ALA H H 17 8.538 8.538 8.363 0.175 25352 1949 1 20 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.144 -0.211 25352 1950 1 20 . 1 1 18 18 ARG H H 18 7.905 7.905 8.689 -0.784 25352 1951 1 20 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.119 0.007 25352 1952 1 20 . 1 1 19 19 LYS H H 19 7.745 7.745 8.313 -0.568 25352 1953 1 20 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.114 0.017 25352 1954 1 20 . 1 1 20 20 LEU H H 20 7.926 7.926 7.438 0.488 25352 1955 1 20 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.023 -0.036 25352 1956 1 20 . 1 1 21 21 LEU H H 21 8.168 8.168 7.632 0.536 25352 1957 1 20 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.616 -0.210 25352 1958 1 20 . 1 1 22 22 ASP H H 22 8.359 8.359 7.427 0.932 25352 1959 1 20 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.451 -0.220 25352 1960 1 20 . 1 1 23 23 ALA H H 23 7.772 7.772 8.115 -0.343 25352 1961 1 20 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.121 -0.161 25352 1962 1 20 . 1 1 24 24 VAL H H 24 7.992 7.992 8.730 -0.738 25352 1963 1 20 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.563 -0.283 25352 1964 1 20 . 1 1 25 25 ALA H H 25 8.314 8.314 7.582 0.732 25352 1965 1 20 . 1 1 26 26 SER HA H 26 4.391 4.391 4.167 0.224 25352 1966 1 20 . 1 1 26 26 SER H H 26 7.919 7.919 8.108 -0.189 25352 1967 1 20 . 1 1 27 27 GLY H H 27 8.225 8.225 7.724 0.501 25352 1968 1 20 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.733 -0.363 25352 1969 1 20 . 1 1 28 28 ALA H H 28 8.043 8.043 7.577 0.466 25352 1970 1 20 . 1 1 29 29 SER HA H 29 4.524 4.524 4.279 0.245 25352 1971 1 20 . 1 1 29 29 SER H H 29 8.207 8.207 8.794 -0.587 25352 1972 1 20 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.421 -0.185 25352 1973 1 20 . 1 1 30 30 LEU H H 30 8.232 8.232 8.460 -0.228 25352 1974 1 20 . 1 1 31 31 GLY H H 31 8.404 8.404 8.370 0.034 25352 1975 1 20 . 1 1 32 32 THR HA H 32 4.113 4.113 4.365 -0.252 25352 1976 1 20 . 1 1 32 32 THR H H 32 7.953 7.953 7.983 -0.030 25352 1977 1 20 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.181 0.014 25352 1978 1 20 . 1 1 33 33 ALA H H 33 8.059 8.059 8.258 -0.199 25352 1979 1 20 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.256 0.086 25352 1980 1 20 . 1 1 34 34 PHE H H 34 8.243 8.243 8.243 0.000 25352 1981 1 20 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.051 -0.066 25352 1982 1 20 . 1 1 35 35 ALA H H 35 7.952 7.952 8.298 -0.346 25352 1983 1 20 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.168 0.002 25352 1984 1 20 . 1 1 36 36 ALA H H 36 7.799 7.799 7.783 0.016 25352 1985 1 20 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.138 -0.221 25352 1986 1 20 . 1 1 37 37 ILE H H 37 7.795 7.795 7.247 0.548 25352 1987 1 20 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.316 -0.179 25352 1988 1 20 . 1 1 38 38 LEU H H 38 7.644 7.644 7.842 -0.198 25352 1989 1 20 . 1 1 39 39 GLY H H 39 7.839 7.839 7.523 0.316 25352 1990 1 20 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.788 0.450 25352 1991 1 20 . 1 1 40 40 VAL H H 40 7.352 7.352 7.393 -0.041 25352 1992 1 20 . 1 1 41 41 THR HA H 41 4.393 4.393 4.222 0.171 25352 1993 1 20 . 1 1 41 41 THR H H 41 7.981 7.981 7.266 0.715 25352 1994 1 20 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.424 -0.111 25352 1995 1 20 . 1 1 42 42 LEU H H 42 8.320 8.320 7.142 1.178 25352 1996 1 20 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.412 -0.031 25352 1997 1 20 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.368 -0.378 25352 1998 1 20 . 1 1 44 44 ALA H H 44 8.649 8.649 8.281 0.368 25352 1999 1 20 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.754 -0.284 25352 2000 1 20 . 1 1 45 45 TRP H H 45 7.594 7.594 7.718 -0.124 25352 2001 1 20 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.344 0.549 25352 2002 1 20 . 1 1 46 46 ALA H H 46 6.722 6.722 7.436 -0.714 25352 2003 1 20 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.987 -0.004 25352 2004 1 20 . 1 1 47 47 LEU H H 47 7.313 7.313 8.065 -0.752 25352 2005 1 20 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.317 -0.135 25352 2006 1 20 . 1 1 48 48 ALA H H 48 7.949 7.949 7.242 0.707 25352 2007 1 20 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.249 -0.074 25352 2008 1 20 . 1 1 49 49 ALA H H 49 8.047 8.047 8.441 -0.394 25352 2009 1 20 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.080 -0.072 25352 2010 1 20 . 1 1 50 50 ALA H H 50 8.110 8.110 7.648 0.462 25352 2011 1 20 . 1 1 51 51 GLY H H 51 8.130 8.130 7.592 0.538 25352 2012 1 20 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.715 -0.702 25352 2013 1 20 . 1 1 52 52 ALA H H 52 7.919 7.919 8.135 -0.216 25352 2014 1 20 . 1 1 54 54 GLY H H 54 8.225 8.225 8.710 -0.485 25352 2015 1 20 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.340 -0.119 25352 2016 1 20 . 1 1 55 55 ALA H H 55 8.042 8.042 7.855 0.187 25352 2017 1 20 . 1 1 56 56 THR HA H 56 4.120 4.120 4.184 -0.064 25352 2018 1 20 . 1 1 56 56 THR H H 56 7.890 7.890 7.898 -0.008 25352 2019 1 20 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.642 -0.258 25352 2020 1 20 . 1 1 57 57 ALA H H 57 8.158 8.158 8.379 -0.221 25352 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 25352 2 1 1 "Average Difference" HA 61 0.265 -0.008 0.267 25352 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25352 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25352 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25352 6 1 1 "Average Difference" HN 54 0.459 -0.074 0.458 25352 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25352 8 1 2 "Average Difference" HA 61 0.268 0.015 0.270 25352 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25352 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25352 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25352 12 1 2 "Average Difference" HN 54 0.483 -0.063 0.483 25352 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25352 14 1 3 "Average Difference" HA 61 0.260 0.036 0.259 25352 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25352 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25352 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25352 18 1 3 "Average Difference" HN 54 0.474 -0.094 0.469 25352 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25352 20 1 4 "Average Difference" HA 61 0.245 0.042 0.244 25352 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25352 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25352 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25352 24 1 4 "Average Difference" HN 54 0.474 -0.084 0.471 25352 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25352 26 1 5 "Average Difference" HA 61 0.270 0.059 0.266 25352 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25352 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25352 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25352 30 1 5 "Average Difference" HN 54 0.478 -0.069 0.477 25352 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25352 32 1 6 "Average Difference" HA 61 0.275 0.049 0.273 25352 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25352 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25352 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25352 36 1 6 "Average Difference" HN 54 0.443 -0.066 0.443 25352 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25352 38 1 7 "Average Difference" HA 61 0.288 0.068 0.283 25352 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25352 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25352 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25352 42 1 7 "Average Difference" HN 54 0.466 -0.082 0.463 25352 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25352 44 1 8 "Average Difference" HA 61 0.257 0.034 0.257 25352 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25352 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25352 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25352 48 1 8 "Average Difference" HN 54 0.499 -0.086 0.497 25352 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25352 50 1 9 "Average Difference" HA 61 0.282 0.050 0.280 25352 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25352 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25352 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25352 54 1 9 "Average Difference" HN 54 0.430 -0.040 0.432 25352 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25352 56 1 10 "Average Difference" HA 61 0.264 0.035 0.264 25352 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25352 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25352 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25352 60 1 10 "Average Difference" HN 54 0.448 -0.057 0.448 25352 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25352 62 1 11 "Average Difference" HA 61 0.277 0.032 0.278 25352 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25352 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25352 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25352 66 1 11 "Average Difference" HN 54 0.454 -0.068 0.453 25352 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25352 68 1 12 "Average Difference" HA 61 0.275 0.044 0.274 25352 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25352 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25352 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25352 72 1 12 "Average Difference" HN 54 0.491 -0.097 0.486 25352 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25352 74 1 13 "Average Difference" HA 61 0.283 0.084 0.272 25352 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25352 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25352 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25352 78 1 13 "Average Difference" HN 54 0.443 -0.089 0.438 25352 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25352 80 1 14 "Average Difference" HA 61 0.257 0.060 0.252 25352 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25352 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25352 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25352 84 1 14 "Average Difference" HN 54 0.398 -0.065 0.396 25352 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25352 86 1 15 "Average Difference" HA 61 0.268 0.019 0.270 25352 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25352 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25352 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25352 90 1 15 "Average Difference" HN 54 0.485 -0.094 0.480 25352 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25352 92 1 16 "Average Difference" HA 61 0.291 -0.006 0.294 25352 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25352 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25352 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25352 96 1 16 "Average Difference" HN 54 0.449 -0.069 0.447 25352 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25352 98 1 17 "Average Difference" HA 61 0.269 0.039 0.268 25352 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25352 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25352 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25352 102 1 17 "Average Difference" HN 54 0.510 -0.121 0.500 25352 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25352 104 1 18 "Average Difference" HA 61 0.236 0.004 0.238 25352 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25352 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25352 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25352 108 1 18 "Average Difference" HN 54 0.481 -0.103 0.474 25352 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25352 110 1 19 "Average Difference" HA 61 0.238 0.039 0.237 25352 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25352 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25352 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25352 114 1 19 "Average Difference" HN 54 0.425 -0.056 0.426 25352 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25352 116 1 20 "Average Difference" HA 61 0.271 0.053 0.267 25352 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25352 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25352 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25352 120 1 20 "Average Difference" HN 54 0.479 -0.078 0.477 25352 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 25352 _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 TYR HA H 2 4.274 4.274 4.297 -0.023 25352 2 1 . 1 1 2 2 TYR H H 2 7.749 7.749 7.852 -0.103 25352 3 1 . 1 1 3 3 TRP HA H 3 4.308 4.308 4.542 -0.234 25352 4 1 . 1 1 3 3 TRP H H 3 8.235 8.235 7.983 0.252 25352 5 1 . 1 1 4 4 ILE HA H 4 3.561 3.561 3.680 -0.119 25352 6 1 . 1 1 4 4 ILE H H 4 8.505 8.505 7.785 0.720 25352 7 1 . 1 1 5 5 ALA HA H 5 4.212 4.212 4.083 0.129 25352 8 1 . 1 1 5 5 ALA H H 5 8.059 8.059 7.730 0.329 25352 9 1 . 1 1 6 6 ASP HA H 6 4.371 4.371 4.631 -0.260 25352 10 1 . 1 1 6 6 ASP H H 6 8.076 8.076 7.572 0.504 25352 11 1 . 1 1 7 7 GLN HA H 7 3.724 3.724 3.948 -0.224 25352 12 1 . 1 1 7 7 GLN H H 7 8.055 8.055 7.671 0.384 25352 13 1 . 1 1 8 8 PHE HA H 8 4.552 4.552 4.449 0.103 25352 14 1 . 1 1 8 8 PHE H H 8 7.830 7.830 7.729 0.101 25352 15 1 . 1 1 9 9 GLY H H 9 7.864 7.864 8.689 -0.825 25352 16 1 . 1 1 10 10 ILE HA H 10 4.087 4.087 4.265 -0.178 25352 17 1 . 1 1 10 10 ILE H H 10 7.621 7.621 7.695 -0.074 25352 18 1 . 1 1 11 11 HIS H H 11 8.202 8.202 8.248 -0.046 25352 19 1 . 1 1 12 12 LEU HA H 12 4.447 4.447 4.238 0.209 25352 20 1 . 1 1 12 12 LEU H H 12 8.123 8.123 7.636 0.487 25352 21 1 . 1 1 13 13 ALA HA H 13 4.427 4.427 4.302 0.125 25352 22 1 . 1 1 13 13 ALA H H 13 8.260 8.260 8.261 -0.001 25352 23 1 . 1 1 14 14 THR HA H 14 3.990 3.990 4.259 -0.269 25352 24 1 . 1 1 14 14 THR H H 14 8.536 8.536 8.376 0.160 25352 25 1 . 1 1 15 15 GLY H H 15 8.295 8.295 7.854 0.441 25352 26 1 . 1 1 16 16 THR HA H 16 3.898 3.898 4.276 -0.378 25352 27 1 . 1 1 16 16 THR H H 16 7.981 7.981 7.916 0.065 25352 28 1 . 1 1 17 17 ALA HA H 17 3.989 3.989 4.381 -0.392 25352 29 1 . 1 1 17 17 ALA H H 17 8.538 8.538 8.219 0.319 25352 30 1 . 1 1 18 18 ARG HA H 18 3.933 3.933 4.128 -0.195 25352 31 1 . 1 1 18 18 ARG H H 18 7.905 7.905 8.687 -0.782 25352 32 1 . 1 1 19 19 LYS HA H 19 4.126 4.126 4.103 0.024 25352 33 1 . 1 1 19 19 LYS H H 19 7.745 7.745 8.077 -0.332 25352 34 1 . 1 1 20 20 LEU HA H 20 4.131 4.131 4.131 0.000 25352 35 1 . 1 1 20 20 LEU H H 20 7.926 7.926 7.498 0.428 25352 36 1 . 1 1 21 21 LEU HA H 21 3.987 3.987 4.017 -0.030 25352 37 1 . 1 1 21 21 LEU H H 21 8.168 8.168 8.087 0.082 25352 38 1 . 1 1 22 22 ASP HA H 22 4.406 4.406 4.661 -0.255 25352 39 1 . 1 1 22 22 ASP H H 22 8.359 8.359 7.653 0.706 25352 40 1 . 1 1 23 23 ALA HA H 23 4.231 4.231 4.500 -0.269 25352 41 1 . 1 1 23 23 ALA H H 23 7.772 7.772 8.011 -0.239 25352 42 1 . 1 1 24 24 VAL HA H 24 3.960 3.960 4.094 -0.134 25352 43 1 . 1 1 24 24 VAL H H 24 7.992 7.992 8.670 -0.678 25352 44 1 . 1 1 25 25 ALA HA H 25 4.280 4.280 4.526 -0.246 25352 45 1 . 1 1 25 25 ALA H H 25 8.314 8.314 7.559 0.754 25352 46 1 . 1 1 26 26 SER HA H 26 4.391 4.391 4.173 0.218 25352 47 1 . 1 1 26 26 SER H H 26 7.919 7.919 8.208 -0.289 25352 48 1 . 1 1 27 27 GLY H H 27 8.225 8.225 7.769 0.456 25352 49 1 . 1 1 28 28 ALA HA H 28 4.370 4.370 4.749 -0.379 25352 50 1 . 1 1 28 28 ALA H H 28 8.043 8.043 7.568 0.475 25352 51 1 . 1 1 29 29 SER HA H 29 4.524 4.524 4.337 0.187 25352 52 1 . 1 1 29 29 SER H H 29 8.207 8.207 8.749 -0.542 25352 53 1 . 1 1 30 30 LEU HA H 30 4.236 4.236 4.452 -0.216 25352 54 1 . 1 1 30 30 LEU H H 30 8.232 8.232 8.466 -0.234 25352 55 1 . 1 1 31 31 GLY H H 31 8.404 8.404 8.303 0.101 25352 56 1 . 1 1 32 32 THR HA H 32 4.113 4.113 4.346 -0.233 25352 57 1 . 1 1 32 32 THR H H 32 7.953 7.953 7.914 0.039 25352 58 1 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.204 -0.009 25352 59 1 . 1 1 33 33 ALA H H 33 8.059 8.059 8.237 -0.177 25352 60 1 . 1 1 34 34 PHE HA H 34 4.342 4.342 4.327 0.015 25352 61 1 . 1 1 34 34 PHE H H 34 8.243 8.243 8.171 0.072 25352 62 1 . 1 1 35 35 ALA HA H 35 3.985 3.985 4.078 -0.093 25352 63 1 . 1 1 35 35 ALA H H 35 7.952 7.952 8.078 -0.126 25352 64 1 . 1 1 36 36 ALA HA H 36 4.170 4.170 4.215 -0.045 25352 65 1 . 1 1 36 36 ALA H H 36 7.799 7.799 7.525 0.274 25352 66 1 . 1 1 37 37 ILE HA H 37 3.917 3.917 4.147 -0.230 25352 67 1 . 1 1 37 37 ILE H H 37 7.795 7.795 7.133 0.662 25352 68 1 . 1 1 38 38 LEU HA H 38 4.137 4.137 4.247 -0.110 25352 69 1 . 1 1 38 38 LEU H H 38 7.644 7.644 7.838 -0.194 25352 70 1 . 1 1 39 39 GLY H H 39 7.839 7.839 7.425 0.414 25352 71 1 . 1 1 40 40 VAL HA H 40 4.238 4.238 3.808 0.430 25352 72 1 . 1 1 40 40 VAL H H 40 7.352 7.352 7.613 -0.261 25352 73 1 . 1 1 41 41 THR HA H 41 4.393 4.393 4.278 0.115 25352 74 1 . 1 1 41 41 THR H H 41 7.981 7.981 7.419 0.562 25352 75 1 . 1 1 42 42 LEU HA H 42 4.313 4.313 4.562 -0.249 25352 76 1 . 1 1 42 42 LEU H H 42 8.320 8.320 7.340 0.980 25352 77 1 . 1 1 43 43 PRO HA H 43 4.381 4.381 4.430 -0.049 25352 78 1 . 1 1 44 44 ALA HA H 44 3.990 3.990 4.391 -0.401 25352 79 1 . 1 1 44 44 ALA H H 44 8.649 8.649 8.311 0.338 25352 80 1 . 1 1 45 45 TRP HA H 45 4.470 4.470 4.765 -0.295 25352 81 1 . 1 1 45 45 TRP H H 45 7.594 7.594 7.755 -0.161 25352 82 1 . 1 1 46 46 ALA HA H 46 3.893 3.893 3.407 0.486 25352 83 1 . 1 1 46 46 ALA H H 46 6.722 6.722 7.375 -0.653 25352 84 1 . 1 1 47 47 LEU HA H 47 3.983 3.983 3.978 0.005 25352 85 1 . 1 1 47 47 LEU H H 47 7.313 7.313 8.055 -0.742 25352 86 1 . 1 1 48 48 ALA HA H 48 4.182 4.182 4.247 -0.065 25352 87 1 . 1 1 48 48 ALA H H 48 7.949 7.949 7.753 0.196 25352 88 1 . 1 1 49 49 ALA HA H 49 4.175 4.175 4.199 -0.024 25352 89 1 . 1 1 49 49 ALA H H 49 8.047 8.047 8.106 -0.059 25352 90 1 . 1 1 50 50 ALA HA H 50 4.008 4.008 4.247 -0.239 25352 91 1 . 1 1 50 50 ALA H H 50 8.110 8.110 7.642 0.468 25352 92 1 . 1 1 51 51 GLY H H 51 8.130 8.130 7.745 0.386 25352 93 1 . 1 1 52 52 ALA HA H 52 4.013 4.013 4.503 -0.490 25352 94 1 . 1 1 52 52 ALA H H 52 7.919 7.919 7.770 0.149 25352 95 1 . 1 1 54 54 GLY H H 54 8.225 8.225 8.460 -0.235 25352 96 1 . 1 1 55 55 ALA HA H 55 4.221 4.221 4.430 -0.209 25352 97 1 . 1 1 55 55 ALA H H 55 8.042 8.042 7.905 0.137 25352 98 1 . 1 1 56 56 THR HA H 56 4.120 4.120 4.271 -0.151 25352 99 1 . 1 1 56 56 THR H H 56 7.890 7.890 8.265 -0.375 25352 100 1 . 1 1 57 57 ALA HA H 57 4.384 4.384 4.535 -0.151 25352 101 1 . 1 1 57 57 ALA H H 57 8.158 8.158 8.273 -0.115 25352 stop_ save_