data_25949 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25949 _Entry.PDB_ID 2NAW 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 25949 _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 GLY H H 2 8.766 8.766 8.439 0.327 25949 2 1 1 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.341 -0.042 25949 3 1 1 . 1 1 3 3 GLU H H 3 8.598 8.598 8.484 0.114 25949 4 1 1 . 1 1 4 4 GLY H H 4 8.461 8.461 8.083 0.378 25949 5 1 1 . 1 1 5 5 THR HA H 5 4.201 4.201 4.449 -0.248 25949 6 1 1 . 1 1 5 5 THR H H 5 7.920 7.920 7.662 0.258 25949 7 1 1 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.547 0.079 25949 8 1 1 . 1 1 6 6 PHE H H 6 8.292 8.292 8.376 -0.084 25949 9 1 1 . 1 1 7 7 THR HA H 7 4.212 4.212 4.529 -0.317 25949 10 1 1 . 1 1 7 7 THR H H 7 8.000 8.000 8.226 -0.226 25949 11 1 1 . 1 1 8 8 SER HA H 8 4.317 4.317 4.803 -0.486 25949 12 1 1 . 1 1 8 8 SER H H 8 8.230 8.230 8.435 -0.205 25949 13 1 1 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.223 0.318 25949 14 1 1 . 1 1 9 9 ASP H H 9 8.409 8.409 9.743 -1.334 25949 15 1 1 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.078 0.095 25949 16 1 1 . 1 1 10 10 LEU H H 10 8.135 8.135 8.298 -0.163 25949 17 1 1 . 1 1 11 11 SER HA H 11 4.091 4.091 4.441 -0.350 25949 18 1 1 . 1 1 11 11 SER H H 11 8.137 8.137 7.958 0.179 25949 19 1 1 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.138 -0.100 25949 20 1 1 . 1 1 12 12 LYS H H 12 8.047 8.047 8.368 -0.321 25949 21 1 1 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.416 -0.407 25949 22 1 1 . 1 1 13 13 GLN H H 13 8.066 8.066 9.078 -1.012 25949 23 1 1 . 1 1 14 14 MET HA H 14 4.127 4.127 4.629 -0.502 25949 24 1 1 . 1 1 14 14 MET H H 14 8.135 8.135 8.297 -0.162 25949 25 1 1 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.841 -0.739 25949 26 1 1 . 1 1 15 15 GLU H H 15 8.120 8.120 8.207 -0.087 25949 27 1 1 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.439 -0.427 25949 28 1 1 . 1 1 16 16 GLU H H 16 8.105 8.105 8.259 -0.154 25949 29 1 1 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.821 0.124 25949 30 1 1 . 1 1 17 17 GLU H H 17 8.028 8.028 7.679 0.349 25949 31 1 1 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.139 -0.034 25949 32 1 1 . 1 1 18 18 ALA H H 18 7.897 7.897 8.983 -1.086 25949 33 1 1 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.323 -0.540 25949 34 1 1 . 1 1 19 19 VAL H H 19 7.793 7.793 7.247 0.546 25949 35 1 1 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.069 -0.005 25949 36 1 1 . 1 1 20 20 ARG H H 20 7.866 7.866 8.220 -0.354 25949 37 1 1 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.430 0.051 25949 38 1 1 . 1 1 21 21 CYS H H 21 8.389 8.389 8.203 0.186 25949 39 1 1 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.167 -0.036 25949 40 1 1 . 1 1 22 22 PHE H H 22 8.161 8.161 8.070 0.091 25949 41 1 1 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.808 -0.194 25949 42 1 1 . 1 1 23 23 ILE H H 23 7.706 7.706 8.137 -0.431 25949 43 1 1 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.215 -0.305 25949 44 1 1 . 1 1 24 24 GLU H H 24 8.164 8.164 7.557 0.607 25949 45 1 1 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.459 -0.127 25949 46 1 1 . 1 1 25 25 CYS H H 25 8.622 8.622 8.729 -0.107 25949 47 1 1 . 1 1 26 26 LEU HA H 26 4.017 4.017 3.898 0.119 25949 48 1 1 . 1 1 26 26 LEU H H 26 7.614 7.614 8.030 -0.416 25949 49 1 1 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.187 0.017 25949 50 1 1 . 1 1 27 27 LYS H H 27 7.724 7.724 7.371 0.353 25949 51 1 1 . 1 1 28 28 GLY H H 28 7.738 7.738 8.255 -0.517 25949 52 1 1 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.655 -0.371 25949 53 1 1 . 1 1 29 29 ILE H H 29 7.665 7.665 7.265 0.400 25949 54 1 1 . 1 1 30 30 GLY H H 30 8.354 8.354 8.568 -0.214 25949 55 1 1 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.668 -0.271 25949 56 1 1 . 1 1 31 31 HIS H H 31 8.236 8.236 8.425 -0.189 25949 57 1 1 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.126 -0.179 25949 58 1 1 . 1 1 32 32 LYS H H 32 7.900 7.900 7.983 -0.083 25949 59 1 1 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.712 -0.110 25949 60 1 1 . 1 1 33 33 TYR H H 33 7.750 7.750 7.789 -0.039 25949 61 1 1 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.183 -0.041 25949 62 1 1 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.879 -0.475 25949 63 1 1 . 1 1 35 35 PHE H H 35 6.871 6.871 7.230 -0.359 25949 64 1 1 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.538 0.230 25949 65 1 1 . 1 1 36 36 CYS H H 36 7.429 7.429 7.491 -0.062 25949 66 1 1 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.140 0.480 25949 67 1 1 . 1 1 37 37 HIS H H 37 8.640 8.640 8.641 -0.001 25949 68 1 1 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.622 0.029 25949 69 1 1 . 1 1 38 38 CYS H H 38 8.544 8.544 7.626 0.918 25949 70 1 2 . 1 1 2 2 GLY H H 2 8.766 8.766 8.726 0.040 25949 71 1 2 . 1 1 3 3 GLU HA H 3 4.299 4.299 3.677 0.622 25949 72 1 2 . 1 1 3 3 GLU H H 3 8.598 8.598 8.455 0.143 25949 73 1 2 . 1 1 4 4 GLY H H 4 8.461 8.461 7.805 0.656 25949 74 1 2 . 1 1 5 5 THR HA H 5 4.201 4.201 4.341 -0.140 25949 75 1 2 . 1 1 5 5 THR H H 5 7.920 7.920 7.453 0.467 25949 76 1 2 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.762 -0.136 25949 77 1 2 . 1 1 6 6 PHE H H 6 8.292 8.292 8.528 -0.236 25949 78 1 2 . 1 1 7 7 THR HA H 7 4.212 4.212 4.469 -0.257 25949 79 1 2 . 1 1 7 7 THR H H 7 8.000 8.000 8.602 -0.602 25949 80 1 2 . 1 1 8 8 SER HA H 8 4.317 4.317 4.604 -0.287 25949 81 1 2 . 1 1 8 8 SER H H 8 8.230 8.230 8.457 -0.227 25949 82 1 2 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.398 0.143 25949 83 1 2 . 1 1 9 9 ASP H H 9 8.409 8.409 8.696 -0.287 25949 84 1 2 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.204 -0.031 25949 85 1 2 . 1 1 10 10 LEU H H 10 8.135 8.135 8.322 -0.187 25949 86 1 2 . 1 1 11 11 SER HA H 11 4.091 4.091 4.325 -0.234 25949 87 1 2 . 1 1 11 11 SER H H 11 8.137 8.137 7.876 0.261 25949 88 1 2 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.007 0.031 25949 89 1 2 . 1 1 12 12 LYS H H 12 8.047 8.047 8.195 -0.148 25949 90 1 2 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.185 -0.176 25949 91 1 2 . 1 1 13 13 GLN H H 13 8.066 8.066 7.705 0.361 25949 92 1 2 . 1 1 14 14 MET HA H 14 4.127 4.127 4.285 -0.158 25949 93 1 2 . 1 1 14 14 MET H H 14 8.135 8.135 8.117 0.018 25949 94 1 2 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.438 -0.336 25949 95 1 2 . 1 1 15 15 GLU H H 15 8.120 8.120 7.575 0.545 25949 96 1 2 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.457 -0.445 25949 97 1 2 . 1 1 16 16 GLU H H 16 8.105 8.105 8.582 -0.477 25949 98 1 2 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.400 -0.455 25949 99 1 2 . 1 1 17 17 GLU H H 17 8.028 8.028 8.658 -0.630 25949 100 1 2 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.054 0.051 25949 101 1 2 . 1 1 18 18 ALA H H 18 7.897 7.897 9.103 -1.206 25949 102 1 2 . 1 1 19 19 VAL HA H 19 3.783 3.783 3.908 -0.125 25949 103 1 2 . 1 1 19 19 VAL H H 19 7.793 7.793 7.376 0.417 25949 104 1 2 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.964 0.100 25949 105 1 2 . 1 1 20 20 ARG H H 20 7.866 7.866 7.784 0.082 25949 106 1 2 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.462 0.019 25949 107 1 2 . 1 1 21 21 CYS H H 21 8.389 8.389 8.002 0.387 25949 108 1 2 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.140 -0.009 25949 109 1 2 . 1 1 22 22 PHE H H 22 8.161 8.161 7.777 0.384 25949 110 1 2 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.755 -0.141 25949 111 1 2 . 1 1 23 23 ILE H H 23 7.706 7.706 7.951 -0.245 25949 112 1 2 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.060 -0.150 25949 113 1 2 . 1 1 24 24 GLU H H 24 8.164 8.164 8.337 -0.173 25949 114 1 2 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.349 -0.017 25949 115 1 2 . 1 1 25 25 CYS H H 25 8.622 8.622 7.998 0.624 25949 116 1 2 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.003 0.014 25949 117 1 2 . 1 1 26 26 LEU H H 26 7.614 7.614 7.672 -0.058 25949 118 1 2 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.175 0.029 25949 119 1 2 . 1 1 27 27 LYS H H 27 7.724 7.724 7.870 -0.146 25949 120 1 2 . 1 1 28 28 GLY H H 28 7.738 7.738 8.214 -0.476 25949 121 1 2 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.460 -0.176 25949 122 1 2 . 1 1 29 29 ILE H H 29 7.665 7.665 7.779 -0.114 25949 123 1 2 . 1 1 30 30 GLY H H 30 8.354 8.354 8.465 -0.111 25949 124 1 2 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.168 0.229 25949 125 1 2 . 1 1 31 31 HIS H H 31 8.236 8.236 8.015 0.221 25949 126 1 2 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.132 -0.185 25949 127 1 2 . 1 1 32 32 LYS H H 32 7.900 7.900 8.363 -0.463 25949 128 1 2 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.869 -0.267 25949 129 1 2 . 1 1 33 33 TYR H H 33 7.750 7.750 7.509 0.241 25949 130 1 2 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.360 -0.218 25949 131 1 2 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.790 -0.386 25949 132 1 2 . 1 1 35 35 PHE H H 35 6.871 6.871 7.495 -0.624 25949 133 1 2 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.465 0.303 25949 134 1 2 . 1 1 36 36 CYS H H 36 7.429 7.429 7.349 0.080 25949 135 1 2 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.633 -0.013 25949 136 1 2 . 1 1 37 37 HIS H H 37 8.640 8.640 8.995 -0.355 25949 137 1 2 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.536 0.115 25949 138 1 2 . 1 1 38 38 CYS H H 38 8.544 8.544 7.818 0.726 25949 139 1 3 . 1 1 2 2 GLY H H 2 8.766 8.766 8.956 -0.190 25949 140 1 3 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.519 -0.220 25949 141 1 3 . 1 1 3 3 GLU H H 3 8.598 8.598 8.304 0.294 25949 142 1 3 . 1 1 4 4 GLY H H 4 8.461 8.461 8.559 -0.098 25949 143 1 3 . 1 1 5 5 THR HA H 5 4.201 4.201 4.617 -0.416 25949 144 1 3 . 1 1 5 5 THR H H 5 7.920 7.920 8.537 -0.617 25949 145 1 3 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.839 -0.213 25949 146 1 3 . 1 1 6 6 PHE H H 6 8.292 8.292 8.730 -0.438 25949 147 1 3 . 1 1 7 7 THR HA H 7 4.212 4.212 4.531 -0.319 25949 148 1 3 . 1 1 7 7 THR H H 7 8.000 8.000 8.123 -0.123 25949 149 1 3 . 1 1 8 8 SER HA H 8 4.317 4.317 4.624 -0.307 25949 150 1 3 . 1 1 8 8 SER H H 8 8.230 8.230 8.646 -0.416 25949 151 1 3 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.216 0.325 25949 152 1 3 . 1 1 9 9 ASP H H 9 8.409 8.409 9.480 -1.071 25949 153 1 3 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.117 0.056 25949 154 1 3 . 1 1 10 10 LEU H H 10 8.135 8.135 8.305 -0.169 25949 155 1 3 . 1 1 11 11 SER HA H 11 4.091 4.091 4.369 -0.278 25949 156 1 3 . 1 1 11 11 SER H H 11 8.137 8.137 7.970 0.167 25949 157 1 3 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.047 -0.009 25949 158 1 3 . 1 1 12 12 LYS H H 12 8.047 8.047 8.307 -0.260 25949 159 1 3 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.282 -0.273 25949 160 1 3 . 1 1 13 13 GLN H H 13 8.066 8.066 8.410 -0.344 25949 161 1 3 . 1 1 14 14 MET HA H 14 4.127 4.127 4.274 -0.147 25949 162 1 3 . 1 1 14 14 MET H H 14 8.135 8.135 7.882 0.253 25949 163 1 3 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.237 -0.135 25949 164 1 3 . 1 1 15 15 GLU H H 15 8.120 8.120 8.616 -0.496 25949 165 1 3 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.189 -0.177 25949 166 1 3 . 1 1 16 16 GLU H H 16 8.105 8.105 8.083 0.022 25949 167 1 3 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.170 -0.225 25949 168 1 3 . 1 1 17 17 GLU H H 17 8.028 8.028 7.376 0.652 25949 169 1 3 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.068 0.037 25949 170 1 3 . 1 1 18 18 ALA H H 18 7.897 7.897 8.925 -1.028 25949 171 1 3 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.321 -0.538 25949 172 1 3 . 1 1 19 19 VAL H H 19 7.793 7.793 7.196 0.597 25949 173 1 3 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.162 -0.098 25949 174 1 3 . 1 1 20 20 ARG H H 20 7.866 7.866 8.598 -0.732 25949 175 1 3 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.356 0.125 25949 176 1 3 . 1 1 21 21 CYS H H 21 8.389 8.389 8.004 0.385 25949 177 1 3 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.192 -0.061 25949 178 1 3 . 1 1 22 22 PHE H H 22 8.161 8.161 8.012 0.149 25949 179 1 3 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.878 -0.264 25949 180 1 3 . 1 1 23 23 ILE H H 23 7.706 7.706 7.786 -0.080 25949 181 1 3 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.194 -0.284 25949 182 1 3 . 1 1 24 24 GLU H H 24 8.164 8.164 7.492 0.672 25949 183 1 3 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.655 -0.323 25949 184 1 3 . 1 1 25 25 CYS H H 25 8.622 8.622 8.694 -0.072 25949 185 1 3 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.004 0.013 25949 186 1 3 . 1 1 26 26 LEU H H 26 7.614 7.614 8.144 -0.530 25949 187 1 3 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.270 -0.066 25949 188 1 3 . 1 1 27 27 LYS H H 27 7.724 7.724 7.419 0.305 25949 189 1 3 . 1 1 28 28 GLY H H 28 7.738 7.738 8.241 -0.503 25949 190 1 3 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.588 -0.304 25949 191 1 3 . 1 1 29 29 ILE H H 29 7.665 7.665 7.358 0.307 25949 192 1 3 . 1 1 30 30 GLY H H 30 8.354 8.354 8.528 -0.174 25949 193 1 3 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.509 -0.112 25949 194 1 3 . 1 1 31 31 HIS H H 31 8.236 8.236 8.352 -0.116 25949 195 1 3 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.068 -0.121 25949 196 1 3 . 1 1 32 32 LYS H H 32 7.900 7.900 7.979 -0.079 25949 197 1 3 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.536 0.066 25949 198 1 3 . 1 1 33 33 TYR H H 33 7.750 7.750 7.651 0.099 25949 199 1 3 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.299 -0.157 25949 200 1 3 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.423 -0.019 25949 201 1 3 . 1 1 35 35 PHE H H 35 6.871 6.871 6.759 0.112 25949 202 1 3 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.444 0.324 25949 203 1 3 . 1 1 36 36 CYS H H 36 7.429 7.429 7.717 -0.288 25949 204 1 3 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.753 -0.133 25949 205 1 3 . 1 1 37 37 HIS H H 37 8.640 8.640 8.265 0.375 25949 206 1 3 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.840 -0.189 25949 207 1 3 . 1 1 38 38 CYS H H 38 8.544 8.544 7.757 0.787 25949 208 1 4 . 1 1 2 2 GLY H H 2 8.766 8.766 8.365 0.401 25949 209 1 4 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.347 -0.048 25949 210 1 4 . 1 1 3 3 GLU H H 3 8.598 8.598 8.401 0.197 25949 211 1 4 . 1 1 4 4 GLY H H 4 8.461 8.461 8.229 0.232 25949 212 1 4 . 1 1 5 5 THR HA H 5 4.201 4.201 4.360 -0.159 25949 213 1 4 . 1 1 5 5 THR H H 5 7.920 7.920 7.340 0.580 25949 214 1 4 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.820 -0.194 25949 215 1 4 . 1 1 6 6 PHE H H 6 8.292 8.292 8.353 -0.061 25949 216 1 4 . 1 1 7 7 THR HA H 7 4.212 4.212 4.668 -0.456 25949 217 1 4 . 1 1 7 7 THR H H 7 8.000 8.000 8.748 -0.748 25949 218 1 4 . 1 1 8 8 SER HA H 8 4.317 4.317 4.601 -0.284 25949 219 1 4 . 1 1 8 8 SER H H 8 8.230 8.230 8.769 -0.539 25949 220 1 4 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.309 0.233 25949 221 1 4 . 1 1 9 9 ASP H H 9 8.409 8.409 8.477 -0.068 25949 222 1 4 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.200 -0.027 25949 223 1 4 . 1 1 10 10 LEU H H 10 8.135 8.135 8.053 0.082 25949 224 1 4 . 1 1 11 11 SER HA H 11 4.091 4.091 4.256 -0.165 25949 225 1 4 . 1 1 11 11 SER H H 11 8.137 8.137 8.269 -0.132 25949 226 1 4 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.026 0.012 25949 227 1 4 . 1 1 12 12 LYS H H 12 8.047 8.047 8.281 -0.234 25949 228 1 4 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.488 -0.479 25949 229 1 4 . 1 1 13 13 GLN H H 13 8.066 8.066 7.756 0.310 25949 230 1 4 . 1 1 14 14 MET HA H 14 4.127 4.127 4.478 -0.351 25949 231 1 4 . 1 1 14 14 MET H H 14 8.135 8.135 7.626 0.509 25949 232 1 4 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.517 -0.415 25949 233 1 4 . 1 1 15 15 GLU H H 15 8.120 8.120 7.823 0.297 25949 234 1 4 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.485 -0.473 25949 235 1 4 . 1 1 16 16 GLU H H 16 8.105 8.105 8.448 -0.343 25949 236 1 4 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.236 -0.291 25949 237 1 4 . 1 1 17 17 GLU H H 17 8.028 8.028 8.477 -0.449 25949 238 1 4 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.091 0.014 25949 239 1 4 . 1 1 18 18 ALA H H 18 7.897 7.897 8.858 -0.961 25949 240 1 4 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.162 -0.379 25949 241 1 4 . 1 1 19 19 VAL H H 19 7.793 7.793 7.615 0.178 25949 242 1 4 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.964 0.100 25949 243 1 4 . 1 1 20 20 ARG H H 20 7.866 7.866 8.455 -0.589 25949 244 1 4 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.486 -0.005 25949 245 1 4 . 1 1 21 21 CYS H H 21 8.389 8.389 8.192 0.197 25949 246 1 4 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.191 -0.060 25949 247 1 4 . 1 1 22 22 PHE H H 22 8.161 8.161 7.998 0.163 25949 248 1 4 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.772 -0.158 25949 249 1 4 . 1 1 23 23 ILE H H 23 7.706 7.706 7.789 -0.083 25949 250 1 4 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.072 -0.162 25949 251 1 4 . 1 1 24 24 GLU H H 24 8.164 8.164 8.308 -0.144 25949 252 1 4 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.297 0.035 25949 253 1 4 . 1 1 25 25 CYS H H 25 8.622 8.622 8.423 0.199 25949 254 1 4 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.002 0.015 25949 255 1 4 . 1 1 26 26 LEU H H 26 7.614 7.614 8.007 -0.393 25949 256 1 4 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.296 -0.092 25949 257 1 4 . 1 1 27 27 LYS H H 27 7.724 7.724 7.478 0.246 25949 258 1 4 . 1 1 28 28 GLY H H 28 7.738 7.738 8.215 -0.477 25949 259 1 4 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.536 -0.252 25949 260 1 4 . 1 1 29 29 ILE H H 29 7.665 7.665 7.832 -0.167 25949 261 1 4 . 1 1 30 30 GLY H H 30 8.354 8.354 8.394 -0.040 25949 262 1 4 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.115 0.282 25949 263 1 4 . 1 1 31 31 HIS H H 31 8.236 8.236 8.580 -0.344 25949 264 1 4 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.329 -0.382 25949 265 1 4 . 1 1 32 32 LYS H H 32 7.900 7.900 8.491 -0.591 25949 266 1 4 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.721 -0.119 25949 267 1 4 . 1 1 33 33 TYR H H 33 7.750 7.750 7.331 0.419 25949 268 1 4 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.218 -0.076 25949 269 1 4 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.793 -0.389 25949 270 1 4 . 1 1 35 35 PHE H H 35 6.871 6.871 7.393 -0.522 25949 271 1 4 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.554 0.214 25949 272 1 4 . 1 1 36 36 CYS H H 36 7.429 7.429 7.515 -0.086 25949 273 1 4 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.652 -0.032 25949 274 1 4 . 1 1 37 37 HIS H H 37 8.640 8.640 8.967 -0.327 25949 275 1 4 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.387 0.264 25949 276 1 4 . 1 1 38 38 CYS H H 38 8.544 8.544 8.809 -0.265 25949 277 1 5 . 1 1 2 2 GLY H H 2 8.766 8.766 8.614 0.152 25949 278 1 5 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.475 -0.176 25949 279 1 5 . 1 1 3 3 GLU H H 3 8.598 8.598 8.139 0.459 25949 280 1 5 . 1 1 4 4 GLY H H 4 8.461 8.461 8.402 0.059 25949 281 1 5 . 1 1 5 5 THR HA H 5 4.201 4.201 4.227 -0.026 25949 282 1 5 . 1 1 5 5 THR H H 5 7.920 7.920 7.680 0.240 25949 283 1 5 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.792 -0.166 25949 284 1 5 . 1 1 6 6 PHE H H 6 8.292 8.292 8.567 -0.275 25949 285 1 5 . 1 1 7 7 THR HA H 7 4.212 4.212 4.646 -0.434 25949 286 1 5 . 1 1 7 7 THR H H 7 8.000 8.000 8.499 -0.499 25949 287 1 5 . 1 1 8 8 SER HA H 8 4.317 4.317 4.847 -0.530 25949 288 1 5 . 1 1 8 8 SER H H 8 8.230 8.230 8.400 -0.170 25949 289 1 5 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.280 0.261 25949 290 1 5 . 1 1 9 9 ASP H H 9 8.409 8.409 9.805 -1.396 25949 291 1 5 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.292 -0.119 25949 292 1 5 . 1 1 10 10 LEU H H 10 8.135 8.135 8.161 -0.026 25949 293 1 5 . 1 1 11 11 SER HA H 11 4.091 4.091 4.304 -0.213 25949 294 1 5 . 1 1 11 11 SER H H 11 8.137 8.137 7.891 0.246 25949 295 1 5 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.953 0.085 25949 296 1 5 . 1 1 12 12 LYS H H 12 8.047 8.047 8.367 -0.320 25949 297 1 5 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.559 -0.550 25949 298 1 5 . 1 1 13 13 GLN H H 13 8.066 8.066 7.904 0.162 25949 299 1 5 . 1 1 14 14 MET HA H 14 4.127 4.127 4.415 -0.288 25949 300 1 5 . 1 1 14 14 MET H H 14 8.135 8.135 8.644 -0.509 25949 301 1 5 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.418 -0.316 25949 302 1 5 . 1 1 15 15 GLU H H 15 8.120 8.120 8.464 -0.344 25949 303 1 5 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.367 -0.355 25949 304 1 5 . 1 1 16 16 GLU H H 16 8.105 8.105 8.200 -0.095 25949 305 1 5 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.307 -0.362 25949 306 1 5 . 1 1 17 17 GLU H H 17 8.028 8.028 8.352 -0.324 25949 307 1 5 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.035 0.070 25949 308 1 5 . 1 1 18 18 ALA H H 18 7.897 7.897 8.804 -0.907 25949 309 1 5 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.128 -0.345 25949 310 1 5 . 1 1 19 19 VAL H H 19 7.793 7.793 7.314 0.479 25949 311 1 5 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.970 0.094 25949 312 1 5 . 1 1 20 20 ARG H H 20 7.866 7.866 8.274 -0.408 25949 313 1 5 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.452 0.029 25949 314 1 5 . 1 1 21 21 CYS H H 21 8.389 8.389 8.222 0.167 25949 315 1 5 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.091 0.040 25949 316 1 5 . 1 1 22 22 PHE H H 22 8.161 8.161 7.558 0.603 25949 317 1 5 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.931 -0.317 25949 318 1 5 . 1 1 23 23 ILE H H 23 7.706 7.706 7.750 -0.044 25949 319 1 5 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.077 -0.167 25949 320 1 5 . 1 1 24 24 GLU H H 24 8.164 8.164 8.092 0.072 25949 321 1 5 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.298 0.034 25949 322 1 5 . 1 1 25 25 CYS H H 25 8.622 8.622 8.461 0.161 25949 323 1 5 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.118 -0.101 25949 324 1 5 . 1 1 26 26 LEU H H 26 7.614 7.614 7.919 -0.305 25949 325 1 5 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.252 -0.048 25949 326 1 5 . 1 1 27 27 LYS H H 27 7.724 7.724 7.343 0.381 25949 327 1 5 . 1 1 28 28 GLY H H 28 7.738 7.738 8.236 -0.498 25949 328 1 5 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.513 -0.229 25949 329 1 5 . 1 1 29 29 ILE H H 29 7.665 7.665 8.068 -0.403 25949 330 1 5 . 1 1 30 30 GLY H H 30 8.354 8.354 8.465 -0.111 25949 331 1 5 . 1 1 31 31 HIS HA H 31 4.397 4.397 3.857 0.540 25949 332 1 5 . 1 1 31 31 HIS H H 31 8.236 8.236 8.683 -0.447 25949 333 1 5 . 1 1 32 32 LYS HA H 32 3.947 3.947 3.628 0.319 25949 334 1 5 . 1 1 32 32 LYS H H 32 7.900 7.900 8.138 -0.238 25949 335 1 5 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.482 0.120 25949 336 1 5 . 1 1 33 33 TYR H H 33 7.750 7.750 7.488 0.262 25949 337 1 5 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.309 -0.167 25949 338 1 5 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.669 -0.265 25949 339 1 5 . 1 1 35 35 PHE H H 35 6.871 6.871 6.907 -0.036 25949 340 1 5 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.240 0.528 25949 341 1 5 . 1 1 36 36 CYS H H 36 7.429 7.429 7.385 0.044 25949 342 1 5 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.635 -0.015 25949 343 1 5 . 1 1 37 37 HIS H H 37 8.640 8.640 8.222 0.418 25949 344 1 5 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.749 -0.098 25949 345 1 5 . 1 1 38 38 CYS H H 38 8.544 8.544 8.088 0.456 25949 346 1 6 . 1 1 2 2 GLY H H 2 8.766 8.766 8.391 0.375 25949 347 1 6 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.256 0.043 25949 348 1 6 . 1 1 3 3 GLU H H 3 8.598 8.598 8.422 0.176 25949 349 1 6 . 1 1 4 4 GLY H H 4 8.461 8.461 8.000 0.461 25949 350 1 6 . 1 1 5 5 THR HA H 5 4.201 4.201 4.363 -0.162 25949 351 1 6 . 1 1 5 5 THR H H 5 7.920 7.920 7.517 0.403 25949 352 1 6 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.716 -0.090 25949 353 1 6 . 1 1 6 6 PHE H H 6 8.292 8.292 8.626 -0.334 25949 354 1 6 . 1 1 7 7 THR HA H 7 4.212 4.212 4.665 -0.453 25949 355 1 6 . 1 1 7 7 THR H H 7 8.000 8.000 8.597 -0.597 25949 356 1 6 . 1 1 8 8 SER HA H 8 4.317 4.317 4.380 -0.063 25949 357 1 6 . 1 1 8 8 SER H H 8 8.230 8.230 8.694 -0.464 25949 358 1 6 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.345 0.196 25949 359 1 6 . 1 1 9 9 ASP H H 9 8.409 8.409 8.607 -0.198 25949 360 1 6 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.192 -0.019 25949 361 1 6 . 1 1 10 10 LEU H H 10 8.135 8.135 7.625 0.510 25949 362 1 6 . 1 1 11 11 SER HA H 11 4.091 4.091 4.443 -0.352 25949 363 1 6 . 1 1 11 11 SER H H 11 8.137 8.137 8.126 0.011 25949 364 1 6 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.033 0.005 25949 365 1 6 . 1 1 12 12 LYS H H 12 8.047 8.047 8.007 0.040 25949 366 1 6 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.183 -0.174 25949 367 1 6 . 1 1 13 13 GLN H H 13 8.066 8.066 9.337 -1.271 25949 368 1 6 . 1 1 14 14 MET HA H 14 4.127 4.127 4.717 -0.590 25949 369 1 6 . 1 1 14 14 MET H H 14 8.135 8.135 7.898 0.237 25949 370 1 6 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.273 -0.171 25949 371 1 6 . 1 1 15 15 GLU H H 15 8.120 8.120 8.551 -0.431 25949 372 1 6 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.423 -0.411 25949 373 1 6 . 1 1 16 16 GLU H H 16 8.105 8.105 8.330 -0.225 25949 374 1 6 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.225 -0.280 25949 375 1 6 . 1 1 17 17 GLU H H 17 8.028 8.028 8.330 -0.302 25949 376 1 6 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.145 -0.040 25949 377 1 6 . 1 1 18 18 ALA H H 18 7.897 7.897 9.003 -1.106 25949 378 1 6 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.008 -0.225 25949 379 1 6 . 1 1 19 19 VAL H H 19 7.793 7.793 7.365 0.428 25949 380 1 6 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.046 0.018 25949 381 1 6 . 1 1 20 20 ARG H H 20 7.866 7.866 8.289 -0.423 25949 382 1 6 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.544 -0.063 25949 383 1 6 . 1 1 21 21 CYS H H 21 8.389 8.389 8.190 0.199 25949 384 1 6 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.161 -0.030 25949 385 1 6 . 1 1 22 22 PHE H H 22 8.161 8.161 7.825 0.336 25949 386 1 6 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.726 -0.112 25949 387 1 6 . 1 1 23 23 ILE H H 23 7.706 7.706 7.941 -0.235 25949 388 1 6 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.102 -0.192 25949 389 1 6 . 1 1 24 24 GLU H H 24 8.164 8.164 8.408 -0.244 25949 390 1 6 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.288 0.044 25949 391 1 6 . 1 1 25 25 CYS H H 25 8.622 8.622 8.071 0.551 25949 392 1 6 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.102 -0.085 25949 393 1 6 . 1 1 26 26 LEU H H 26 7.614 7.614 8.054 -0.440 25949 394 1 6 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.272 -0.068 25949 395 1 6 . 1 1 27 27 LYS H H 27 7.724 7.724 7.473 0.251 25949 396 1 6 . 1 1 28 28 GLY H H 28 7.738 7.738 8.210 -0.472 25949 397 1 6 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.457 -0.173 25949 398 1 6 . 1 1 29 29 ILE H H 29 7.665 7.665 7.689 -0.024 25949 399 1 6 . 1 1 30 30 GLY H H 30 8.354 8.354 8.474 -0.120 25949 400 1 6 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.150 0.247 25949 401 1 6 . 1 1 31 31 HIS H H 31 8.236 8.236 8.370 -0.134 25949 402 1 6 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.044 -0.097 25949 403 1 6 . 1 1 32 32 LYS H H 32 7.900 7.900 8.367 -0.467 25949 404 1 6 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.591 0.011 25949 405 1 6 . 1 1 33 33 TYR H H 33 7.750 7.750 7.377 0.373 25949 406 1 6 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.341 -0.199 25949 407 1 6 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.600 -0.196 25949 408 1 6 . 1 1 35 35 PHE H H 35 6.871 6.871 6.945 -0.074 25949 409 1 6 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.366 0.402 25949 410 1 6 . 1 1 36 36 CYS H H 36 7.429 7.429 7.598 -0.169 25949 411 1 6 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.797 -0.177 25949 412 1 6 . 1 1 37 37 HIS H H 37 8.640 8.640 8.845 -0.205 25949 413 1 6 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.563 0.088 25949 414 1 6 . 1 1 38 38 CYS H H 38 8.544 8.544 8.684 -0.140 25949 415 1 7 . 1 1 2 2 GLY H H 2 8.766 8.766 7.890 0.876 25949 416 1 7 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.322 -0.023 25949 417 1 7 . 1 1 3 3 GLU H H 3 8.598 8.598 8.392 0.206 25949 418 1 7 . 1 1 4 4 GLY H H 4 8.461 8.461 7.620 0.841 25949 419 1 7 . 1 1 5 5 THR HA H 5 4.201 4.201 4.190 0.011 25949 420 1 7 . 1 1 5 5 THR H H 5 7.920 7.920 8.149 -0.229 25949 421 1 7 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.507 0.119 25949 422 1 7 . 1 1 6 6 PHE H H 6 8.292 8.292 8.484 -0.192 25949 423 1 7 . 1 1 7 7 THR HA H 7 4.212 4.212 4.583 -0.371 25949 424 1 7 . 1 1 7 7 THR H H 7 8.000 8.000 8.433 -0.433 25949 425 1 7 . 1 1 8 8 SER HA H 8 4.317 4.317 4.468 -0.151 25949 426 1 7 . 1 1 8 8 SER H H 8 8.230 8.230 8.348 -0.118 25949 427 1 7 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.324 0.217 25949 428 1 7 . 1 1 9 9 ASP H H 9 8.409 8.409 8.707 -0.298 25949 429 1 7 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.108 0.065 25949 430 1 7 . 1 1 10 10 LEU H H 10 8.135 8.135 7.776 0.359 25949 431 1 7 . 1 1 11 11 SER HA H 11 4.091 4.091 4.368 -0.277 25949 432 1 7 . 1 1 11 11 SER H H 11 8.137 8.137 8.057 0.080 25949 433 1 7 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.014 0.024 25949 434 1 7 . 1 1 12 12 LYS H H 12 8.047 8.047 8.216 -0.169 25949 435 1 7 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.165 -0.156 25949 436 1 7 . 1 1 13 13 GLN H H 13 8.066 8.066 8.073 -0.007 25949 437 1 7 . 1 1 14 14 MET HA H 14 4.127 4.127 4.582 -0.455 25949 438 1 7 . 1 1 14 14 MET H H 14 8.135 8.135 7.743 0.392 25949 439 1 7 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.516 -0.414 25949 440 1 7 . 1 1 15 15 GLU H H 15 8.120 8.120 8.449 -0.329 25949 441 1 7 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.372 -0.360 25949 442 1 7 . 1 1 16 16 GLU H H 16 8.105 8.105 8.557 -0.452 25949 443 1 7 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.869 0.076 25949 444 1 7 . 1 1 17 17 GLU H H 17 8.028 8.028 8.191 -0.163 25949 445 1 7 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.069 0.036 25949 446 1 7 . 1 1 18 18 ALA H H 18 7.897 7.897 8.932 -1.035 25949 447 1 7 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.000 -0.217 25949 448 1 7 . 1 1 19 19 VAL H H 19 7.793 7.793 7.711 0.082 25949 449 1 7 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.923 0.141 25949 450 1 7 . 1 1 20 20 ARG H H 20 7.866 7.866 8.712 -0.846 25949 451 1 7 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.573 -0.092 25949 452 1 7 . 1 1 21 21 CYS H H 21 8.389 8.389 8.327 0.062 25949 453 1 7 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.183 -0.052 25949 454 1 7 . 1 1 22 22 PHE H H 22 8.161 8.161 7.883 0.278 25949 455 1 7 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.909 -0.295 25949 456 1 7 . 1 1 23 23 ILE H H 23 7.706 7.706 7.935 -0.229 25949 457 1 7 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.184 -0.274 25949 458 1 7 . 1 1 24 24 GLU H H 24 8.164 8.164 8.287 -0.123 25949 459 1 7 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.364 -0.032 25949 460 1 7 . 1 1 25 25 CYS H H 25 8.622 8.622 7.960 0.662 25949 461 1 7 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.170 -0.153 25949 462 1 7 . 1 1 26 26 LEU H H 26 7.614 7.614 7.579 0.035 25949 463 1 7 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.581 -0.377 25949 464 1 7 . 1 1 27 27 LYS H H 27 7.724 7.724 7.843 -0.119 25949 465 1 7 . 1 1 28 28 GLY H H 28 7.738 7.738 8.421 -0.683 25949 466 1 7 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.486 -0.202 25949 467 1 7 . 1 1 29 29 ILE H H 29 7.665 7.665 7.514 0.151 25949 468 1 7 . 1 1 30 30 GLY H H 30 8.354 8.354 8.445 -0.091 25949 469 1 7 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.234 0.163 25949 470 1 7 . 1 1 31 31 HIS H H 31 8.236 8.236 8.372 -0.136 25949 471 1 7 . 1 1 32 32 LYS HA H 32 3.947 3.947 3.965 -0.018 25949 472 1 7 . 1 1 32 32 LYS H H 32 7.900 7.900 7.867 0.033 25949 473 1 7 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.544 0.058 25949 474 1 7 . 1 1 33 33 TYR H H 33 7.750 7.750 7.186 0.564 25949 475 1 7 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.401 -0.259 25949 476 1 7 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.600 -0.196 25949 477 1 7 . 1 1 35 35 PHE H H 35 6.871 6.871 6.898 -0.027 25949 478 1 7 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.467 0.301 25949 479 1 7 . 1 1 36 36 CYS H H 36 7.429 7.429 7.795 -0.366 25949 480 1 7 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.639 -0.019 25949 481 1 7 . 1 1 37 37 HIS H H 37 8.640 8.640 8.735 -0.095 25949 482 1 7 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.377 0.274 25949 483 1 7 . 1 1 38 38 CYS H H 38 8.544 8.544 7.848 0.696 25949 484 1 8 . 1 1 2 2 GLY H H 2 8.766 8.766 8.451 0.315 25949 485 1 8 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.220 0.079 25949 486 1 8 . 1 1 3 3 GLU H H 3 8.598 8.598 10.649 -2.051 25949 487 1 8 . 1 1 4 4 GLY H H 4 8.461 8.461 8.372 0.089 25949 488 1 8 . 1 1 5 5 THR HA H 5 4.201 4.201 4.365 -0.164 25949 489 1 8 . 1 1 5 5 THR H H 5 7.920 7.920 7.619 0.301 25949 490 1 8 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.620 0.006 25949 491 1 8 . 1 1 6 6 PHE H H 6 8.292 8.292 8.615 -0.323 25949 492 1 8 . 1 1 7 7 THR HA H 7 4.212 4.212 4.677 -0.465 25949 493 1 8 . 1 1 7 7 THR H H 7 8.000 8.000 8.671 -0.671 25949 494 1 8 . 1 1 8 8 SER HA H 8 4.317 4.317 4.309 0.008 25949 495 1 8 . 1 1 8 8 SER H H 8 8.230 8.230 8.903 -0.673 25949 496 1 8 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.296 0.245 25949 497 1 8 . 1 1 9 9 ASP H H 9 8.409 8.409 9.064 -0.655 25949 498 1 8 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.209 -0.036 25949 499 1 8 . 1 1 10 10 LEU H H 10 8.135 8.135 7.629 0.506 25949 500 1 8 . 1 1 11 11 SER HA H 11 4.091 4.091 4.305 -0.214 25949 501 1 8 . 1 1 11 11 SER H H 11 8.137 8.137 7.940 0.197 25949 502 1 8 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.016 0.022 25949 503 1 8 . 1 1 12 12 LYS H H 12 8.047 8.047 8.200 -0.153 25949 504 1 8 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.417 -0.408 25949 505 1 8 . 1 1 13 13 GLN H H 13 8.066 8.066 8.260 -0.194 25949 506 1 8 . 1 1 14 14 MET HA H 14 4.127 4.127 4.631 -0.504 25949 507 1 8 . 1 1 14 14 MET H H 14 8.135 8.135 8.406 -0.271 25949 508 1 8 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.262 -0.160 25949 509 1 8 . 1 1 15 15 GLU H H 15 8.120 8.120 8.555 -0.435 25949 510 1 8 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.107 -0.095 25949 511 1 8 . 1 1 16 16 GLU H H 16 8.105 8.105 7.964 0.141 25949 512 1 8 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.093 0.852 25949 513 1 8 . 1 1 17 17 GLU H H 17 8.028 8.028 8.433 -0.405 25949 514 1 8 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.077 0.028 25949 515 1 8 . 1 1 18 18 ALA H H 18 7.897 7.897 8.478 -0.581 25949 516 1 8 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.131 -0.348 25949 517 1 8 . 1 1 19 19 VAL H H 19 7.793 7.793 7.318 0.475 25949 518 1 8 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.992 0.072 25949 519 1 8 . 1 1 20 20 ARG H H 20 7.866 7.866 7.702 0.164 25949 520 1 8 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.348 0.133 25949 521 1 8 . 1 1 21 21 CYS H H 21 8.389 8.389 8.141 0.248 25949 522 1 8 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.151 -0.020 25949 523 1 8 . 1 1 22 22 PHE H H 22 8.161 8.161 7.841 0.320 25949 524 1 8 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.867 -0.253 25949 525 1 8 . 1 1 23 23 ILE H H 23 7.706 7.706 7.999 -0.293 25949 526 1 8 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.025 -0.115 25949 527 1 8 . 1 1 24 24 GLU H H 24 8.164 8.164 8.111 0.053 25949 528 1 8 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.344 -0.012 25949 529 1 8 . 1 1 25 25 CYS H H 25 8.622 8.622 8.152 0.470 25949 530 1 8 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.147 -0.130 25949 531 1 8 . 1 1 26 26 LEU H H 26 7.614 7.614 7.638 -0.024 25949 532 1 8 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.387 -0.183 25949 533 1 8 . 1 1 27 27 LYS H H 27 7.724 7.724 7.448 0.276 25949 534 1 8 . 1 1 28 28 GLY H H 28 7.738 7.738 8.348 -0.610 25949 535 1 8 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.605 -0.321 25949 536 1 8 . 1 1 29 29 ILE H H 29 7.665 7.665 7.859 -0.194 25949 537 1 8 . 1 1 30 30 GLY H H 30 8.354 8.354 8.194 0.160 25949 538 1 8 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.355 0.042 25949 539 1 8 . 1 1 31 31 HIS H H 31 8.236 8.236 8.418 -0.182 25949 540 1 8 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.150 -0.203 25949 541 1 8 . 1 1 32 32 LYS H H 32 7.900 7.900 8.113 -0.213 25949 542 1 8 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.665 -0.063 25949 543 1 8 . 1 1 33 33 TYR H H 33 7.750 7.750 7.429 0.321 25949 544 1 8 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.267 -0.125 25949 545 1 8 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.725 -0.321 25949 546 1 8 . 1 1 35 35 PHE H H 35 6.871 6.871 7.022 -0.151 25949 547 1 8 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.539 0.229 25949 548 1 8 . 1 1 36 36 CYS H H 36 7.429 7.429 7.573 -0.144 25949 549 1 8 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.734 -0.114 25949 550 1 8 . 1 1 37 37 HIS H H 37 8.640 8.640 8.579 0.061 25949 551 1 8 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.178 0.473 25949 552 1 8 . 1 1 38 38 CYS H H 38 8.544 8.544 8.166 0.378 25949 553 1 9 . 1 1 2 2 GLY H H 2 8.766 8.766 8.356 0.410 25949 554 1 9 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.304 -0.005 25949 555 1 9 . 1 1 3 3 GLU H H 3 8.598 8.598 8.469 0.129 25949 556 1 9 . 1 1 4 4 GLY H H 4 8.461 8.461 7.940 0.521 25949 557 1 9 . 1 1 5 5 THR HA H 5 4.201 4.201 4.474 -0.273 25949 558 1 9 . 1 1 5 5 THR H H 5 7.920 7.920 8.327 -0.407 25949 559 1 9 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.739 -0.113 25949 560 1 9 . 1 1 6 6 PHE H H 6 8.292 8.292 8.317 -0.025 25949 561 1 9 . 1 1 7 7 THR HA H 7 4.212 4.212 4.389 -0.177 25949 562 1 9 . 1 1 7 7 THR H H 7 8.000 8.000 7.853 0.147 25949 563 1 9 . 1 1 8 8 SER HA H 8 4.317 4.317 4.010 0.307 25949 564 1 9 . 1 1 8 8 SER H H 8 8.230 8.230 8.432 -0.202 25949 565 1 9 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.286 0.255 25949 566 1 9 . 1 1 9 9 ASP H H 9 8.409 8.409 8.354 0.055 25949 567 1 9 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.116 0.057 25949 568 1 9 . 1 1 10 10 LEU H H 10 8.135 8.135 7.581 0.554 25949 569 1 9 . 1 1 11 11 SER HA H 11 4.091 4.091 4.301 -0.210 25949 570 1 9 . 1 1 11 11 SER H H 11 8.137 8.137 8.151 -0.014 25949 571 1 9 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.927 0.111 25949 572 1 9 . 1 1 12 12 LYS H H 12 8.047 8.047 8.269 -0.222 25949 573 1 9 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.385 -0.376 25949 574 1 9 . 1 1 13 13 GLN H H 13 8.066 8.066 8.085 -0.019 25949 575 1 9 . 1 1 14 14 MET HA H 14 4.127 4.127 4.419 -0.292 25949 576 1 9 . 1 1 14 14 MET H H 14 8.135 8.135 8.268 -0.133 25949 577 1 9 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.262 -0.160 25949 578 1 9 . 1 1 15 15 GLU H H 15 8.120 8.120 8.543 -0.423 25949 579 1 9 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.423 -0.411 25949 580 1 9 . 1 1 16 16 GLU H H 16 8.105 8.105 7.880 0.225 25949 581 1 9 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.380 0.565 25949 582 1 9 . 1 1 17 17 GLU H H 17 8.028 8.028 8.414 -0.386 25949 583 1 9 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.110 -0.005 25949 584 1 9 . 1 1 18 18 ALA H H 18 7.897 7.897 8.444 -0.547 25949 585 1 9 . 1 1 19 19 VAL HA H 19 3.783 3.783 3.798 -0.015 25949 586 1 9 . 1 1 19 19 VAL H H 19 7.793 7.793 7.396 0.397 25949 587 1 9 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.006 0.058 25949 588 1 9 . 1 1 20 20 ARG H H 20 7.866 7.866 7.567 0.299 25949 589 1 9 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.400 0.081 25949 590 1 9 . 1 1 21 21 CYS H H 21 8.389 8.389 7.898 0.491 25949 591 1 9 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.019 0.112 25949 592 1 9 . 1 1 22 22 PHE H H 22 8.161 8.161 7.644 0.517 25949 593 1 9 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.757 -0.143 25949 594 1 9 . 1 1 23 23 ILE H H 23 7.706 7.706 7.655 0.051 25949 595 1 9 . 1 1 24 24 GLU HA H 24 3.910 3.910 3.946 -0.036 25949 596 1 9 . 1 1 24 24 GLU H H 24 8.164 8.164 8.119 0.045 25949 597 1 9 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.540 -0.208 25949 598 1 9 . 1 1 25 25 CYS H H 25 8.622 8.622 8.401 0.221 25949 599 1 9 . 1 1 26 26 LEU HA H 26 4.017 4.017 3.950 0.067 25949 600 1 9 . 1 1 26 26 LEU H H 26 7.614 7.614 7.825 -0.211 25949 601 1 9 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.340 -0.136 25949 602 1 9 . 1 1 27 27 LYS H H 27 7.724 7.724 7.691 0.033 25949 603 1 9 . 1 1 28 28 GLY H H 28 7.738 7.738 7.951 -0.213 25949 604 1 9 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.593 -0.309 25949 605 1 9 . 1 1 29 29 ILE H H 29 7.665 7.665 7.257 0.408 25949 606 1 9 . 1 1 30 30 GLY H H 30 8.354 8.354 8.578 -0.224 25949 607 1 9 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.558 -0.161 25949 608 1 9 . 1 1 31 31 HIS H H 31 8.236 8.236 8.288 -0.052 25949 609 1 9 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.230 -0.283 25949 610 1 9 . 1 1 32 32 LYS H H 32 7.900 7.900 8.084 -0.184 25949 611 1 9 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.747 -0.144 25949 612 1 9 . 1 1 33 33 TYR H H 33 7.750 7.750 7.630 0.120 25949 613 1 9 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.192 -0.050 25949 614 1 9 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.709 -0.305 25949 615 1 9 . 1 1 35 35 PHE H H 35 6.871 6.871 6.976 -0.105 25949 616 1 9 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.497 0.271 25949 617 1 9 . 1 1 36 36 CYS H H 36 7.429 7.429 7.970 -0.541 25949 618 1 9 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.844 -0.224 25949 619 1 9 . 1 1 37 37 HIS H H 37 8.640 8.640 7.866 0.774 25949 620 1 9 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.484 0.167 25949 621 1 9 . 1 1 38 38 CYS H H 38 8.544 8.544 7.648 0.896 25949 622 1 10 . 1 1 2 2 GLY H H 2 8.766 8.766 8.204 0.562 25949 623 1 10 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.358 -0.059 25949 624 1 10 . 1 1 3 3 GLU H H 3 8.598 8.598 8.585 0.013 25949 625 1 10 . 1 1 4 4 GLY H H 4 8.461 8.461 8.436 0.025 25949 626 1 10 . 1 1 5 5 THR HA H 5 4.201 4.201 4.726 -0.525 25949 627 1 10 . 1 1 5 5 THR H H 5 7.920 7.920 8.119 -0.199 25949 628 1 10 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.557 0.069 25949 629 1 10 . 1 1 6 6 PHE H H 6 8.292 8.292 8.907 -0.615 25949 630 1 10 . 1 1 7 7 THR HA H 7 4.212 4.212 4.470 -0.258 25949 631 1 10 . 1 1 7 7 THR H H 7 8.000 8.000 8.098 -0.098 25949 632 1 10 . 1 1 8 8 SER HA H 8 4.317 4.317 4.633 -0.316 25949 633 1 10 . 1 1 8 8 SER H H 8 8.230 8.230 8.192 0.038 25949 634 1 10 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.157 0.384 25949 635 1 10 . 1 1 9 9 ASP H H 9 8.409 8.409 8.567 -0.158 25949 636 1 10 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.129 0.044 25949 637 1 10 . 1 1 10 10 LEU H H 10 8.135 8.135 7.704 0.431 25949 638 1 10 . 1 1 11 11 SER HA H 11 4.091 4.091 4.374 -0.283 25949 639 1 10 . 1 1 11 11 SER H H 11 8.137 8.137 7.627 0.510 25949 640 1 10 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.835 0.203 25949 641 1 10 . 1 1 12 12 LYS H H 12 8.047 8.047 8.147 -0.100 25949 642 1 10 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.139 -0.130 25949 643 1 10 . 1 1 13 13 GLN H H 13 8.066 8.066 7.608 0.458 25949 644 1 10 . 1 1 14 14 MET HA H 14 4.127 4.127 4.242 -0.115 25949 645 1 10 . 1 1 14 14 MET H H 14 8.135 8.135 7.867 0.268 25949 646 1 10 . 1 1 15 15 GLU HA H 15 4.102 4.102 3.666 0.436 25949 647 1 10 . 1 1 15 15 GLU H H 15 8.120 8.120 8.505 -0.385 25949 648 1 10 . 1 1 16 16 GLU HA H 16 4.012 4.012 3.733 0.279 25949 649 1 10 . 1 1 16 16 GLU H H 16 8.105 8.105 8.265 -0.160 25949 650 1 10 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.331 -0.386 25949 651 1 10 . 1 1 17 17 GLU H H 17 8.028 8.028 7.615 0.413 25949 652 1 10 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.209 -0.104 25949 653 1 10 . 1 1 18 18 ALA H H 18 7.897 7.897 8.772 -0.875 25949 654 1 10 . 1 1 19 19 VAL HA H 19 3.783 3.783 3.886 -0.103 25949 655 1 10 . 1 1 19 19 VAL H H 19 7.793 7.793 7.694 0.099 25949 656 1 10 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.053 0.011 25949 657 1 10 . 1 1 20 20 ARG H H 20 7.866 7.866 7.735 0.131 25949 658 1 10 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.229 0.252 25949 659 1 10 . 1 1 21 21 CYS H H 21 8.389 8.389 8.025 0.364 25949 660 1 10 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.108 0.023 25949 661 1 10 . 1 1 22 22 PHE H H 22 8.161 8.161 7.616 0.545 25949 662 1 10 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.707 -0.093 25949 663 1 10 . 1 1 23 23 ILE H H 23 7.706 7.706 8.570 -0.864 25949 664 1 10 . 1 1 24 24 GLU HA H 24 3.910 3.910 3.944 -0.034 25949 665 1 10 . 1 1 24 24 GLU H H 24 8.164 8.164 7.987 0.177 25949 666 1 10 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.607 -0.275 25949 667 1 10 . 1 1 25 25 CYS H H 25 8.622 8.622 8.381 0.241 25949 668 1 10 . 1 1 26 26 LEU HA H 26 4.017 4.017 3.948 0.069 25949 669 1 10 . 1 1 26 26 LEU H H 26 7.614 7.614 8.050 -0.436 25949 670 1 10 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.454 -0.250 25949 671 1 10 . 1 1 27 27 LYS H H 27 7.724 7.724 7.600 0.124 25949 672 1 10 . 1 1 28 28 GLY H H 28 7.738 7.738 8.317 -0.579 25949 673 1 10 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.579 -0.295 25949 674 1 10 . 1 1 29 29 ILE H H 29 7.665 7.665 7.743 -0.078 25949 675 1 10 . 1 1 30 30 GLY H H 30 8.354 8.354 8.415 -0.061 25949 676 1 10 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.570 -0.173 25949 677 1 10 . 1 1 31 31 HIS H H 31 8.236 8.236 8.430 -0.194 25949 678 1 10 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.144 -0.197 25949 679 1 10 . 1 1 32 32 LYS H H 32 7.900 7.900 8.329 -0.429 25949 680 1 10 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.641 -0.039 25949 681 1 10 . 1 1 33 33 TYR H H 33 7.750 7.750 7.862 -0.112 25949 682 1 10 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.268 -0.126 25949 683 1 10 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.913 -0.509 25949 684 1 10 . 1 1 35 35 PHE H H 35 6.871 6.871 6.590 0.281 25949 685 1 10 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.964 -0.196 25949 686 1 10 . 1 1 36 36 CYS H H 36 7.429 7.429 7.543 -0.114 25949 687 1 10 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.630 -0.010 25949 688 1 10 . 1 1 37 37 HIS H H 37 8.640 8.640 9.713 -1.073 25949 689 1 10 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.346 0.305 25949 690 1 10 . 1 1 38 38 CYS H H 38 8.544 8.544 8.314 0.230 25949 691 1 11 . 1 1 2 2 GLY H H 2 8.766 8.766 8.679 0.087 25949 692 1 11 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.391 -0.092 25949 693 1 11 . 1 1 3 3 GLU H H 3 8.598 8.598 8.552 0.046 25949 694 1 11 . 1 1 4 4 GLY H H 4 8.461 8.461 8.133 0.328 25949 695 1 11 . 1 1 5 5 THR HA H 5 4.201 4.201 4.549 -0.348 25949 696 1 11 . 1 1 5 5 THR H H 5 7.920 7.920 7.648 0.272 25949 697 1 11 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.582 0.044 25949 698 1 11 . 1 1 6 6 PHE H H 6 8.292 8.292 8.837 -0.545 25949 699 1 11 . 1 1 7 7 THR HA H 7 4.212 4.212 4.409 -0.197 25949 700 1 11 . 1 1 7 7 THR H H 7 8.000 8.000 8.108 -0.108 25949 701 1 11 . 1 1 8 8 SER HA H 8 4.317 4.317 4.240 0.077 25949 702 1 11 . 1 1 8 8 SER H H 8 8.230 8.230 8.736 -0.506 25949 703 1 11 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.363 0.178 25949 704 1 11 . 1 1 9 9 ASP H H 9 8.409 8.409 8.604 -0.195 25949 705 1 11 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.200 -0.027 25949 706 1 11 . 1 1 10 10 LEU H H 10 8.135 8.135 7.693 0.442 25949 707 1 11 . 1 1 11 11 SER HA H 11 4.091 4.091 4.305 -0.214 25949 708 1 11 . 1 1 11 11 SER H H 11 8.137 8.137 8.085 0.052 25949 709 1 11 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.982 0.056 25949 710 1 11 . 1 1 12 12 LYS H H 12 8.047 8.047 8.160 -0.113 25949 711 1 11 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.356 -0.347 25949 712 1 11 . 1 1 13 13 GLN H H 13 8.066 8.066 7.919 0.147 25949 713 1 11 . 1 1 14 14 MET HA H 14 4.127 4.127 4.685 -0.558 25949 714 1 11 . 1 1 14 14 MET H H 14 8.135 8.135 8.204 -0.069 25949 715 1 11 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.417 -0.315 25949 716 1 11 . 1 1 15 15 GLU H H 15 8.120 8.120 8.875 -0.755 25949 717 1 11 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.378 -0.366 25949 718 1 11 . 1 1 16 16 GLU H H 16 8.105 8.105 8.069 0.036 25949 719 1 11 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.387 -0.442 25949 720 1 11 . 1 1 17 17 GLU H H 17 8.028 8.028 8.308 -0.280 25949 721 1 11 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.302 -0.197 25949 722 1 11 . 1 1 18 18 ALA H H 18 7.897 7.897 8.856 -0.959 25949 723 1 11 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.120 -0.337 25949 724 1 11 . 1 1 19 19 VAL H H 19 7.793 7.793 7.512 0.281 25949 725 1 11 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.177 -0.113 25949 726 1 11 . 1 1 20 20 ARG H H 20 7.866 7.866 8.375 -0.509 25949 727 1 11 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.777 -0.296 25949 728 1 11 . 1 1 21 21 CYS H H 21 8.389 8.389 7.890 0.499 25949 729 1 11 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.117 0.014 25949 730 1 11 . 1 1 22 22 PHE H H 22 8.161 8.161 7.916 0.245 25949 731 1 11 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.742 -0.128 25949 732 1 11 . 1 1 23 23 ILE H H 23 7.706 7.706 8.679 -0.973 25949 733 1 11 . 1 1 24 24 GLU HA H 24 3.910 3.910 3.979 -0.069 25949 734 1 11 . 1 1 24 24 GLU H H 24 8.164 8.164 8.060 0.104 25949 735 1 11 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.269 0.063 25949 736 1 11 . 1 1 25 25 CYS H H 25 8.622 8.622 8.293 0.329 25949 737 1 11 . 1 1 26 26 LEU HA H 26 4.017 4.017 3.922 0.095 25949 738 1 11 . 1 1 26 26 LEU H H 26 7.614 7.614 7.800 -0.186 25949 739 1 11 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.282 -0.078 25949 740 1 11 . 1 1 27 27 LYS H H 27 7.724 7.724 7.687 0.037 25949 741 1 11 . 1 1 28 28 GLY H H 28 7.738 7.738 8.204 -0.466 25949 742 1 11 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.464 -0.180 25949 743 1 11 . 1 1 29 29 ILE H H 29 7.665 7.665 7.718 -0.053 25949 744 1 11 . 1 1 30 30 GLY H H 30 8.354 8.354 8.457 -0.103 25949 745 1 11 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.302 0.095 25949 746 1 11 . 1 1 31 31 HIS H H 31 8.236 8.236 8.043 0.193 25949 747 1 11 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.264 -0.317 25949 748 1 11 . 1 1 32 32 LYS H H 32 7.900 7.900 8.480 -0.580 25949 749 1 11 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.539 0.063 25949 750 1 11 . 1 1 33 33 TYR H H 33 7.750 7.750 7.079 0.671 25949 751 1 11 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.366 -0.224 25949 752 1 11 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.839 -0.435 25949 753 1 11 . 1 1 35 35 PHE H H 35 6.871 6.871 6.692 0.179 25949 754 1 11 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.695 0.073 25949 755 1 11 . 1 1 36 36 CYS H H 36 7.429 7.429 7.691 -0.262 25949 756 1 11 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.747 -0.127 25949 757 1 11 . 1 1 37 37 HIS H H 37 8.640 8.640 8.854 -0.214 25949 758 1 11 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.432 0.219 25949 759 1 11 . 1 1 38 38 CYS H H 38 8.544 8.544 7.941 0.603 25949 760 1 12 . 1 1 2 2 GLY H H 2 8.766 8.766 7.700 1.066 25949 761 1 12 . 1 1 3 3 GLU HA H 3 4.299 4.299 3.955 0.344 25949 762 1 12 . 1 1 3 3 GLU H H 3 8.598 8.598 8.826 -0.228 25949 763 1 12 . 1 1 4 4 GLY H H 4 8.461 8.461 8.192 0.269 25949 764 1 12 . 1 1 5 5 THR HA H 5 4.201 4.201 4.403 -0.202 25949 765 1 12 . 1 1 5 5 THR H H 5 7.920 7.920 7.485 0.435 25949 766 1 12 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.781 -0.155 25949 767 1 12 . 1 1 6 6 PHE H H 6 8.292 8.292 8.583 -0.291 25949 768 1 12 . 1 1 7 7 THR HA H 7 4.212 4.212 4.532 -0.320 25949 769 1 12 . 1 1 7 7 THR H H 7 8.000 8.000 8.501 -0.501 25949 770 1 12 . 1 1 8 8 SER HA H 8 4.317 4.317 4.602 -0.285 25949 771 1 12 . 1 1 8 8 SER H H 8 8.230 8.230 8.625 -0.395 25949 772 1 12 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.430 0.111 25949 773 1 12 . 1 1 9 9 ASP H H 9 8.409 8.409 8.764 -0.355 25949 774 1 12 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.124 0.049 25949 775 1 12 . 1 1 10 10 LEU H H 10 8.135 8.135 8.171 -0.036 25949 776 1 12 . 1 1 11 11 SER HA H 11 4.091 4.091 4.388 -0.297 25949 777 1 12 . 1 1 11 11 SER H H 11 8.137 8.137 7.694 0.443 25949 778 1 12 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.105 -0.067 25949 779 1 12 . 1 1 12 12 LYS H H 12 8.047 8.047 8.219 -0.172 25949 780 1 12 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.520 -0.511 25949 781 1 12 . 1 1 13 13 GLN H H 13 8.066 8.066 7.726 0.340 25949 782 1 12 . 1 1 14 14 MET HA H 14 4.127 4.127 4.660 -0.533 25949 783 1 12 . 1 1 14 14 MET H H 14 8.135 8.135 8.746 -0.611 25949 784 1 12 . 1 1 15 15 GLU HA H 15 4.102 4.102 3.951 0.151 25949 785 1 12 . 1 1 15 15 GLU H H 15 8.120 8.120 8.718 -0.598 25949 786 1 12 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.410 -0.398 25949 787 1 12 . 1 1 16 16 GLU H H 16 8.105 8.105 7.985 0.120 25949 788 1 12 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.268 0.677 25949 789 1 12 . 1 1 17 17 GLU H H 17 8.028 8.028 8.560 -0.532 25949 790 1 12 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.202 -0.096 25949 791 1 12 . 1 1 18 18 ALA H H 18 7.897 7.897 8.137 -0.240 25949 792 1 12 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.073 -0.290 25949 793 1 12 . 1 1 19 19 VAL H H 19 7.793 7.793 7.183 0.610 25949 794 1 12 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.978 0.086 25949 795 1 12 . 1 1 20 20 ARG H H 20 7.866 7.866 7.521 0.345 25949 796 1 12 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.287 0.194 25949 797 1 12 . 1 1 21 21 CYS H H 21 8.389 8.389 7.984 0.405 25949 798 1 12 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.046 0.084 25949 799 1 12 . 1 1 22 22 PHE H H 22 8.161 8.161 7.757 0.404 25949 800 1 12 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.907 -0.293 25949 801 1 12 . 1 1 23 23 ILE H H 23 7.706 7.706 7.925 -0.219 25949 802 1 12 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.005 -0.095 25949 803 1 12 . 1 1 24 24 GLU H H 24 8.164 8.164 8.131 0.033 25949 804 1 12 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.289 0.043 25949 805 1 12 . 1 1 25 25 CYS H H 25 8.622 8.622 8.562 0.060 25949 806 1 12 . 1 1 26 26 LEU HA H 26 4.017 4.017 3.979 0.038 25949 807 1 12 . 1 1 26 26 LEU H H 26 7.614 7.614 7.736 -0.122 25949 808 1 12 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.230 -0.026 25949 809 1 12 . 1 1 27 27 LYS H H 27 7.724 7.724 8.064 -0.340 25949 810 1 12 . 1 1 28 28 GLY H H 28 7.738 7.738 8.267 -0.529 25949 811 1 12 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.520 -0.236 25949 812 1 12 . 1 1 29 29 ILE H H 29 7.665 7.665 8.048 -0.383 25949 813 1 12 . 1 1 30 30 GLY H H 30 8.354 8.354 8.459 -0.105 25949 814 1 12 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.281 0.116 25949 815 1 12 . 1 1 31 31 HIS H H 31 8.236 8.236 8.070 0.166 25949 816 1 12 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.313 -0.366 25949 817 1 12 . 1 1 32 32 LYS H H 32 7.900 7.900 8.423 -0.523 25949 818 1 12 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.538 0.064 25949 819 1 12 . 1 1 33 33 TYR H H 33 7.750 7.750 7.067 0.683 25949 820 1 12 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.209 -0.067 25949 821 1 12 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.723 -0.319 25949 822 1 12 . 1 1 35 35 PHE H H 35 6.871 6.871 6.637 0.234 25949 823 1 12 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.761 0.007 25949 824 1 12 . 1 1 36 36 CYS H H 36 7.429 7.429 7.706 -0.277 25949 825 1 12 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.752 -0.132 25949 826 1 12 . 1 1 37 37 HIS H H 37 8.640 8.640 8.799 -0.159 25949 827 1 12 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.530 0.121 25949 828 1 12 . 1 1 38 38 CYS H H 38 8.544 8.544 8.397 0.147 25949 829 1 13 . 1 1 2 2 GLY H H 2 8.766 8.766 7.453 1.313 25949 830 1 13 . 1 1 3 3 GLU HA H 3 4.299 4.299 3.944 0.355 25949 831 1 13 . 1 1 3 3 GLU H H 3 8.598 8.598 8.254 0.344 25949 832 1 13 . 1 1 4 4 GLY H H 4 8.461 8.461 8.323 0.138 25949 833 1 13 . 1 1 5 5 THR HA H 5 4.201 4.201 4.333 -0.132 25949 834 1 13 . 1 1 5 5 THR H H 5 7.920 7.920 7.183 0.737 25949 835 1 13 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.719 -0.093 25949 836 1 13 . 1 1 6 6 PHE H H 6 8.292 8.292 8.395 -0.103 25949 837 1 13 . 1 1 7 7 THR HA H 7 4.212 4.212 4.470 -0.258 25949 838 1 13 . 1 1 7 7 THR H H 7 8.000 8.000 8.516 -0.516 25949 839 1 13 . 1 1 8 8 SER HA H 8 4.317 4.317 4.648 -0.331 25949 840 1 13 . 1 1 8 8 SER H H 8 8.230 8.230 8.271 -0.041 25949 841 1 13 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.550 -0.009 25949 842 1 13 . 1 1 9 9 ASP H H 9 8.409 8.409 8.741 -0.332 25949 843 1 13 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.189 -0.016 25949 844 1 13 . 1 1 10 10 LEU H H 10 8.135 8.135 7.717 0.418 25949 845 1 13 . 1 1 11 11 SER HA H 11 4.091 4.091 4.450 -0.359 25949 846 1 13 . 1 1 11 11 SER H H 11 8.137 8.137 7.706 0.431 25949 847 1 13 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.169 -0.131 25949 848 1 13 . 1 1 12 12 LYS H H 12 8.047 8.047 8.314 -0.267 25949 849 1 13 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.036 -0.027 25949 850 1 13 . 1 1 13 13 GLN H H 13 8.066 8.066 8.290 -0.224 25949 851 1 13 . 1 1 14 14 MET HA H 14 4.127 4.127 4.380 -0.253 25949 852 1 13 . 1 1 14 14 MET H H 14 8.135 8.135 7.820 0.315 25949 853 1 13 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.044 0.058 25949 854 1 13 . 1 1 15 15 GLU H H 15 8.120 8.120 8.381 -0.261 25949 855 1 13 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.466 -0.454 25949 856 1 13 . 1 1 16 16 GLU H H 16 8.105 8.105 8.435 -0.330 25949 857 1 13 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.910 0.035 25949 858 1 13 . 1 1 17 17 GLU H H 17 8.028 8.028 8.253 -0.225 25949 859 1 13 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.227 -0.122 25949 860 1 13 . 1 1 18 18 ALA H H 18 7.897 7.897 8.221 -0.324 25949 861 1 13 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.129 -0.346 25949 862 1 13 . 1 1 19 19 VAL H H 19 7.793 7.793 7.679 0.114 25949 863 1 13 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.020 0.044 25949 864 1 13 . 1 1 20 20 ARG H H 20 7.866 7.866 8.542 -0.676 25949 865 1 13 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.409 0.072 25949 866 1 13 . 1 1 21 21 CYS H H 21 8.389 8.389 8.007 0.382 25949 867 1 13 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.183 -0.052 25949 868 1 13 . 1 1 22 22 PHE H H 22 8.161 8.161 7.317 0.844 25949 869 1 13 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.878 -0.264 25949 870 1 13 . 1 1 23 23 ILE H H 23 7.706 7.706 7.667 0.039 25949 871 1 13 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.053 -0.143 25949 872 1 13 . 1 1 24 24 GLU H H 24 8.164 8.164 8.355 -0.191 25949 873 1 13 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.299 0.033 25949 874 1 13 . 1 1 25 25 CYS H H 25 8.622 8.622 8.609 0.013 25949 875 1 13 . 1 1 26 26 LEU HA H 26 4.017 4.017 3.984 0.033 25949 876 1 13 . 1 1 26 26 LEU H H 26 7.614 7.614 7.832 -0.218 25949 877 1 13 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.304 -0.100 25949 878 1 13 . 1 1 27 27 LYS H H 27 7.724 7.724 7.692 0.032 25949 879 1 13 . 1 1 28 28 GLY H H 28 7.738 7.738 8.386 -0.648 25949 880 1 13 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.513 -0.229 25949 881 1 13 . 1 1 29 29 ILE H H 29 7.665 7.665 7.891 -0.226 25949 882 1 13 . 1 1 30 30 GLY H H 30 8.354 8.354 8.514 -0.160 25949 883 1 13 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.289 0.108 25949 884 1 13 . 1 1 31 31 HIS H H 31 8.236 8.236 8.525 -0.289 25949 885 1 13 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.345 -0.398 25949 886 1 13 . 1 1 32 32 LYS H H 32 7.900 7.900 8.494 -0.594 25949 887 1 13 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.692 -0.090 25949 888 1 13 . 1 1 33 33 TYR H H 33 7.750 7.750 7.509 0.241 25949 889 1 13 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.169 -0.027 25949 890 1 13 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.565 -0.161 25949 891 1 13 . 1 1 35 35 PHE H H 35 6.871 6.871 7.265 -0.394 25949 892 1 13 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.627 0.141 25949 893 1 13 . 1 1 36 36 CYS H H 36 7.429 7.429 7.579 -0.150 25949 894 1 13 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.841 -0.221 25949 895 1 13 . 1 1 37 37 HIS H H 37 8.640 8.640 8.606 0.034 25949 896 1 13 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.377 0.274 25949 897 1 13 . 1 1 38 38 CYS H H 38 8.544 8.544 7.874 0.670 25949 898 1 14 . 1 1 2 2 GLY H H 2 8.766 8.766 8.422 0.344 25949 899 1 14 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.366 -0.067 25949 900 1 14 . 1 1 3 3 GLU H H 3 8.598 8.598 8.456 0.142 25949 901 1 14 . 1 1 4 4 GLY H H 4 8.461 8.461 8.473 -0.012 25949 902 1 14 . 1 1 5 5 THR HA H 5 4.201 4.201 4.234 -0.033 25949 903 1 14 . 1 1 5 5 THR H H 5 7.920 7.920 7.398 0.522 25949 904 1 14 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.799 -0.173 25949 905 1 14 . 1 1 6 6 PHE H H 6 8.292 8.292 8.308 -0.016 25949 906 1 14 . 1 1 7 7 THR HA H 7 4.212 4.212 4.598 -0.386 25949 907 1 14 . 1 1 7 7 THR H H 7 8.000 8.000 8.591 -0.591 25949 908 1 14 . 1 1 8 8 SER HA H 8 4.317 4.317 4.558 -0.241 25949 909 1 14 . 1 1 8 8 SER H H 8 8.230 8.230 8.452 -0.222 25949 910 1 14 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.244 0.297 25949 911 1 14 . 1 1 9 9 ASP H H 9 8.409 8.409 8.565 -0.156 25949 912 1 14 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.389 -0.216 25949 913 1 14 . 1 1 10 10 LEU H H 10 8.135 8.135 7.734 0.402 25949 914 1 14 . 1 1 11 11 SER HA H 11 4.091 4.091 4.435 -0.344 25949 915 1 14 . 1 1 11 11 SER H H 11 8.137 8.137 7.765 0.372 25949 916 1 14 . 1 1 12 12 LYS HA H 12 4.038 4.038 4.008 0.030 25949 917 1 14 . 1 1 12 12 LYS H H 12 8.047 8.047 7.929 0.118 25949 918 1 14 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.219 -0.210 25949 919 1 14 . 1 1 13 13 GLN H H 13 8.066 8.066 7.829 0.237 25949 920 1 14 . 1 1 14 14 MET HA H 14 4.127 4.127 4.663 -0.536 25949 921 1 14 . 1 1 14 14 MET H H 14 8.135 8.135 8.334 -0.199 25949 922 1 14 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.164 -0.062 25949 923 1 14 . 1 1 15 15 GLU H H 15 8.120 8.120 8.548 -0.428 25949 924 1 14 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.339 -0.327 25949 925 1 14 . 1 1 16 16 GLU H H 16 8.105 8.105 8.124 -0.019 25949 926 1 14 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.201 -0.256 25949 927 1 14 . 1 1 17 17 GLU H H 17 8.028 8.028 7.653 0.375 25949 928 1 14 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.259 -0.154 25949 929 1 14 . 1 1 18 18 ALA H H 18 7.897 7.897 8.351 -0.454 25949 930 1 14 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.187 -0.404 25949 931 1 14 . 1 1 19 19 VAL H H 19 7.793 7.793 7.749 0.044 25949 932 1 14 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.994 0.070 25949 933 1 14 . 1 1 20 20 ARG H H 20 7.866 7.866 8.543 -0.677 25949 934 1 14 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.522 -0.041 25949 935 1 14 . 1 1 21 21 CYS H H 21 8.389 8.389 8.025 0.364 25949 936 1 14 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.164 -0.033 25949 937 1 14 . 1 1 22 22 PHE H H 22 8.161 8.161 8.010 0.151 25949 938 1 14 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.857 -0.243 25949 939 1 14 . 1 1 23 23 ILE H H 23 7.706 7.706 7.629 0.077 25949 940 1 14 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.160 -0.250 25949 941 1 14 . 1 1 24 24 GLU H H 24 8.164 8.164 7.857 0.307 25949 942 1 14 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.919 -0.587 25949 943 1 14 . 1 1 25 25 CYS H H 25 8.622 8.622 8.424 0.198 25949 944 1 14 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.257 -0.240 25949 945 1 14 . 1 1 26 26 LEU H H 26 7.614 7.614 7.560 0.054 25949 946 1 14 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.519 -0.315 25949 947 1 14 . 1 1 27 27 LYS H H 27 7.724 7.724 7.507 0.217 25949 948 1 14 . 1 1 28 28 GLY H H 28 7.738 7.738 8.530 -0.792 25949 949 1 14 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.621 -0.337 25949 950 1 14 . 1 1 29 29 ILE H H 29 7.665 7.665 7.572 0.093 25949 951 1 14 . 1 1 30 30 GLY H H 30 8.354 8.354 8.414 -0.060 25949 952 1 14 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.133 0.264 25949 953 1 14 . 1 1 31 31 HIS H H 31 8.236 8.236 8.601 -0.365 25949 954 1 14 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.239 -0.292 25949 955 1 14 . 1 1 32 32 LYS H H 32 7.900 7.900 8.220 -0.320 25949 956 1 14 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.570 0.032 25949 957 1 14 . 1 1 33 33 TYR H H 33 7.750 7.750 7.336 0.414 25949 958 1 14 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.289 -0.147 25949 959 1 14 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.500 -0.096 25949 960 1 14 . 1 1 35 35 PHE H H 35 6.871 6.871 6.789 0.082 25949 961 1 14 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.527 0.241 25949 962 1 14 . 1 1 36 36 CYS H H 36 7.429 7.429 7.721 -0.292 25949 963 1 14 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.614 0.006 25949 964 1 14 . 1 1 37 37 HIS H H 37 8.640 8.640 8.202 0.438 25949 965 1 14 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.421 0.230 25949 966 1 14 . 1 1 38 38 CYS H H 38 8.544 8.544 8.318 0.226 25949 967 1 15 . 1 1 2 2 GLY H H 2 8.766 8.766 8.310 0.456 25949 968 1 15 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.222 0.077 25949 969 1 15 . 1 1 3 3 GLU H H 3 8.598 8.598 8.458 0.140 25949 970 1 15 . 1 1 4 4 GLY H H 4 8.461 8.461 8.577 -0.116 25949 971 1 15 . 1 1 5 5 THR HA H 5 4.201 4.201 4.413 -0.212 25949 972 1 15 . 1 1 5 5 THR H H 5 7.920 7.920 7.707 0.213 25949 973 1 15 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.792 -0.166 25949 974 1 15 . 1 1 6 6 PHE H H 6 8.292 8.292 8.710 -0.418 25949 975 1 15 . 1 1 7 7 THR HA H 7 4.212 4.212 4.373 -0.161 25949 976 1 15 . 1 1 7 7 THR H H 7 8.000 8.000 7.990 0.010 25949 977 1 15 . 1 1 8 8 SER HA H 8 4.317 4.317 4.526 -0.209 25949 978 1 15 . 1 1 8 8 SER H H 8 8.230 8.230 8.619 -0.389 25949 979 1 15 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.397 0.144 25949 980 1 15 . 1 1 9 9 ASP H H 9 8.409 8.409 8.672 -0.263 25949 981 1 15 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.140 0.033 25949 982 1 15 . 1 1 10 10 LEU H H 10 8.135 8.135 7.638 0.497 25949 983 1 15 . 1 1 11 11 SER HA H 11 4.091 4.091 4.303 -0.212 25949 984 1 15 . 1 1 11 11 SER H H 11 8.137 8.137 8.101 0.036 25949 985 1 15 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.934 0.104 25949 986 1 15 . 1 1 12 12 LYS H H 12 8.047 8.047 8.386 -0.339 25949 987 1 15 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.496 -0.487 25949 988 1 15 . 1 1 13 13 GLN H H 13 8.066 8.066 7.508 0.558 25949 989 1 15 . 1 1 14 14 MET HA H 14 4.127 4.127 4.267 -0.140 25949 990 1 15 . 1 1 14 14 MET H H 14 8.135 8.135 8.615 -0.480 25949 991 1 15 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.147 -0.045 25949 992 1 15 . 1 1 15 15 GLU H H 15 8.120 8.120 8.313 -0.193 25949 993 1 15 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.333 -0.321 25949 994 1 15 . 1 1 16 16 GLU H H 16 8.105 8.105 8.578 -0.473 25949 995 1 15 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.611 0.334 25949 996 1 15 . 1 1 17 17 GLU H H 17 8.028 8.028 7.876 0.152 25949 997 1 15 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.227 -0.122 25949 998 1 15 . 1 1 18 18 ALA H H 18 7.897 7.897 8.839 -0.942 25949 999 1 15 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.218 -0.435 25949 1000 1 15 . 1 1 19 19 VAL H H 19 7.793 7.793 7.312 0.481 25949 1001 1 15 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.999 0.065 25949 1002 1 15 . 1 1 20 20 ARG H H 20 7.866 7.866 8.226 -0.360 25949 1003 1 15 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.408 0.073 25949 1004 1 15 . 1 1 21 21 CYS H H 21 8.389 8.389 8.377 0.012 25949 1005 1 15 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.178 -0.047 25949 1006 1 15 . 1 1 22 22 PHE H H 22 8.161 8.161 8.015 0.146 25949 1007 1 15 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.902 -0.288 25949 1008 1 15 . 1 1 23 23 ILE H H 23 7.706 7.706 8.403 -0.697 25949 1009 1 15 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.209 -0.299 25949 1010 1 15 . 1 1 24 24 GLU H H 24 8.164 8.164 8.157 0.007 25949 1011 1 15 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.359 -0.027 25949 1012 1 15 . 1 1 25 25 CYS H H 25 8.622 8.622 8.663 -0.041 25949 1013 1 15 . 1 1 26 26 LEU HA H 26 4.017 4.017 3.984 0.033 25949 1014 1 15 . 1 1 26 26 LEU H H 26 7.614 7.614 8.513 -0.899 25949 1015 1 15 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.348 -0.144 25949 1016 1 15 . 1 1 27 27 LYS H H 27 7.724 7.724 7.527 0.197 25949 1017 1 15 . 1 1 28 28 GLY H H 28 7.738 7.738 8.333 -0.595 25949 1018 1 15 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.423 -0.139 25949 1019 1 15 . 1 1 29 29 ILE H H 29 7.665 7.665 7.642 0.023 25949 1020 1 15 . 1 1 30 30 GLY H H 30 8.354 8.354 8.467 -0.113 25949 1021 1 15 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.094 0.303 25949 1022 1 15 . 1 1 31 31 HIS H H 31 8.236 8.236 8.057 0.179 25949 1023 1 15 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.239 -0.292 25949 1024 1 15 . 1 1 32 32 LYS H H 32 7.900 7.900 8.347 -0.447 25949 1025 1 15 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.655 -0.053 25949 1026 1 15 . 1 1 33 33 TYR H H 33 7.750 7.750 7.355 0.395 25949 1027 1 15 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.202 -0.060 25949 1028 1 15 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.818 -0.414 25949 1029 1 15 . 1 1 35 35 PHE H H 35 6.871 6.871 7.027 -0.156 25949 1030 1 15 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.656 0.112 25949 1031 1 15 . 1 1 36 36 CYS H H 36 7.429 7.429 7.526 -0.097 25949 1032 1 15 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.813 -0.193 25949 1033 1 15 . 1 1 37 37 HIS H H 37 8.640 8.640 8.870 -0.230 25949 1034 1 15 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.347 0.304 25949 1035 1 15 . 1 1 38 38 CYS H H 38 8.544 8.544 7.583 0.961 25949 1036 1 16 . 1 1 2 2 GLY H H 2 8.766 8.766 8.395 0.371 25949 1037 1 16 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.274 0.025 25949 1038 1 16 . 1 1 3 3 GLU H H 3 8.598 8.598 8.417 0.181 25949 1039 1 16 . 1 1 4 4 GLY H H 4 8.461 8.461 8.180 0.281 25949 1040 1 16 . 1 1 5 5 THR HA H 5 4.201 4.201 4.533 -0.332 25949 1041 1 16 . 1 1 5 5 THR H H 5 7.920 7.920 7.813 0.107 25949 1042 1 16 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.596 0.030 25949 1043 1 16 . 1 1 6 6 PHE H H 6 8.292 8.292 8.587 -0.295 25949 1044 1 16 . 1 1 7 7 THR HA H 7 4.212 4.212 4.364 -0.152 25949 1045 1 16 . 1 1 7 7 THR H H 7 8.000 8.000 7.839 0.161 25949 1046 1 16 . 1 1 8 8 SER HA H 8 4.317 4.317 4.423 -0.106 25949 1047 1 16 . 1 1 8 8 SER H H 8 8.230 8.230 8.746 -0.516 25949 1048 1 16 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.327 0.214 25949 1049 1 16 . 1 1 9 9 ASP H H 9 8.409 8.409 8.434 -0.025 25949 1050 1 16 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.162 0.011 25949 1051 1 16 . 1 1 10 10 LEU H H 10 8.135 8.135 7.827 0.308 25949 1052 1 16 . 1 1 11 11 SER HA H 11 4.091 4.091 4.295 -0.204 25949 1053 1 16 . 1 1 11 11 SER H H 11 8.137 8.137 8.038 0.099 25949 1054 1 16 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.878 0.160 25949 1055 1 16 . 1 1 12 12 LYS H H 12 8.047 8.047 8.071 -0.024 25949 1056 1 16 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.332 -0.323 25949 1057 1 16 . 1 1 13 13 GLN H H 13 8.066 8.066 8.270 -0.204 25949 1058 1 16 . 1 1 14 14 MET HA H 14 4.127 4.127 4.683 -0.556 25949 1059 1 16 . 1 1 14 14 MET H H 14 8.135 8.135 8.684 -0.549 25949 1060 1 16 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.356 -0.254 25949 1061 1 16 . 1 1 15 15 GLU H H 15 8.120 8.120 8.709 -0.589 25949 1062 1 16 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.067 -0.055 25949 1063 1 16 . 1 1 16 16 GLU H H 16 8.105 8.105 8.419 -0.314 25949 1064 1 16 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.080 -0.135 25949 1065 1 16 . 1 1 17 17 GLU H H 17 8.028 8.028 7.521 0.507 25949 1066 1 16 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.094 0.011 25949 1067 1 16 . 1 1 18 18 ALA H H 18 7.897 7.897 8.120 -0.223 25949 1068 1 16 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.018 -0.235 25949 1069 1 16 . 1 1 19 19 VAL H H 19 7.793 7.793 7.696 0.097 25949 1070 1 16 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.052 0.012 25949 1071 1 16 . 1 1 20 20 ARG H H 20 7.866 7.866 8.288 -0.422 25949 1072 1 16 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.391 0.090 25949 1073 1 16 . 1 1 21 21 CYS H H 21 8.389 8.389 8.059 0.330 25949 1074 1 16 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.123 0.008 25949 1075 1 16 . 1 1 22 22 PHE H H 22 8.161 8.161 7.273 0.888 25949 1076 1 16 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.710 -0.096 25949 1077 1 16 . 1 1 23 23 ILE H H 23 7.706 7.706 7.777 -0.071 25949 1078 1 16 . 1 1 24 24 GLU HA H 24 3.910 3.910 3.985 -0.075 25949 1079 1 16 . 1 1 24 24 GLU H H 24 8.164 8.164 8.150 0.014 25949 1080 1 16 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.618 -0.286 25949 1081 1 16 . 1 1 25 25 CYS H H 25 8.622 8.622 8.147 0.475 25949 1082 1 16 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.060 -0.043 25949 1083 1 16 . 1 1 26 26 LEU H H 26 7.614 7.614 8.148 -0.534 25949 1084 1 16 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.204 -0.000 25949 1085 1 16 . 1 1 27 27 LYS H H 27 7.724 7.724 7.551 0.173 25949 1086 1 16 . 1 1 28 28 GLY H H 28 7.738 7.738 7.543 0.195 25949 1087 1 16 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.627 -0.343 25949 1088 1 16 . 1 1 29 29 ILE H H 29 7.665 7.665 7.471 0.194 25949 1089 1 16 . 1 1 30 30 GLY H H 30 8.354 8.354 8.346 0.008 25949 1090 1 16 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.076 0.321 25949 1091 1 16 . 1 1 31 31 HIS H H 31 8.236 8.236 9.245 -1.009 25949 1092 1 16 . 1 1 32 32 LYS HA H 32 3.947 3.947 3.675 0.272 25949 1093 1 16 . 1 1 32 32 LYS H H 32 7.900 7.900 8.286 -0.386 25949 1094 1 16 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.369 0.233 25949 1095 1 16 . 1 1 33 33 TYR H H 33 7.750 7.750 8.065 -0.315 25949 1096 1 16 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.070 0.072 25949 1097 1 16 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.815 -0.411 25949 1098 1 16 . 1 1 35 35 PHE H H 35 6.871 6.871 6.988 -0.117 25949 1099 1 16 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.699 0.069 25949 1100 1 16 . 1 1 36 36 CYS H H 36 7.429 7.429 7.832 -0.403 25949 1101 1 16 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.862 -0.242 25949 1102 1 16 . 1 1 37 37 HIS H H 37 8.640 8.640 8.408 0.232 25949 1103 1 16 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.574 0.077 25949 1104 1 16 . 1 1 38 38 CYS H H 38 8.544 8.544 7.868 0.676 25949 1105 1 17 . 1 1 2 2 GLY H H 2 8.766 8.766 8.037 0.729 25949 1106 1 17 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.497 -0.198 25949 1107 1 17 . 1 1 3 3 GLU H H 3 8.598 8.598 8.527 0.071 25949 1108 1 17 . 1 1 4 4 GLY H H 4 8.461 8.461 8.192 0.269 25949 1109 1 17 . 1 1 5 5 THR HA H 5 4.201 4.201 4.559 -0.358 25949 1110 1 17 . 1 1 5 5 THR H H 5 7.920 7.920 8.169 -0.249 25949 1111 1 17 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.730 -0.104 25949 1112 1 17 . 1 1 6 6 PHE H H 6 8.292 8.292 8.561 -0.269 25949 1113 1 17 . 1 1 7 7 THR HA H 7 4.212 4.212 4.432 -0.220 25949 1114 1 17 . 1 1 7 7 THR H H 7 8.000 8.000 8.080 -0.080 25949 1115 1 17 . 1 1 8 8 SER HA H 8 4.317 4.317 4.395 -0.078 25949 1116 1 17 . 1 1 8 8 SER H H 8 8.230 8.230 7.956 0.274 25949 1117 1 17 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.644 -0.103 25949 1118 1 17 . 1 1 9 9 ASP H H 9 8.409 8.409 8.521 -0.112 25949 1119 1 17 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.194 -0.021 25949 1120 1 17 . 1 1 10 10 LEU H H 10 8.135 8.135 7.676 0.459 25949 1121 1 17 . 1 1 11 11 SER HA H 11 4.091 4.091 4.486 -0.395 25949 1122 1 17 . 1 1 11 11 SER H H 11 8.137 8.137 7.791 0.346 25949 1123 1 17 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.927 0.111 25949 1124 1 17 . 1 1 12 12 LYS H H 12 8.047 8.047 8.199 -0.152 25949 1125 1 17 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.522 -0.513 25949 1126 1 17 . 1 1 13 13 GLN H H 13 8.066 8.066 7.384 0.682 25949 1127 1 17 . 1 1 14 14 MET HA H 14 4.127 4.127 4.721 -0.594 25949 1128 1 17 . 1 1 14 14 MET H H 14 8.135 8.135 8.612 -0.477 25949 1129 1 17 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.070 0.032 25949 1130 1 17 . 1 1 15 15 GLU H H 15 8.120 8.120 8.619 -0.499 25949 1131 1 17 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.440 -0.428 25949 1132 1 17 . 1 1 16 16 GLU H H 16 8.105 8.105 7.625 0.480 25949 1133 1 17 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.978 -0.033 25949 1134 1 17 . 1 1 17 17 GLU H H 17 8.028 8.028 8.469 -0.441 25949 1135 1 17 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.074 0.031 25949 1136 1 17 . 1 1 18 18 ALA H H 18 7.897 7.897 9.178 -1.281 25949 1137 1 17 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.415 -0.632 25949 1138 1 17 . 1 1 19 19 VAL H H 19 7.793 7.793 7.684 0.109 25949 1139 1 17 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.016 0.048 25949 1140 1 17 . 1 1 20 20 ARG H H 20 7.866 7.866 8.580 -0.714 25949 1141 1 17 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.577 -0.096 25949 1142 1 17 . 1 1 21 21 CYS H H 21 8.389 8.389 8.345 0.044 25949 1143 1 17 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.349 -0.218 25949 1144 1 17 . 1 1 22 22 PHE H H 22 8.161 8.161 7.682 0.479 25949 1145 1 17 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.991 -0.377 25949 1146 1 17 . 1 1 23 23 ILE H H 23 7.706 7.706 7.634 0.072 25949 1147 1 17 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.270 -0.360 25949 1148 1 17 . 1 1 24 24 GLU H H 24 8.164 8.164 8.454 -0.290 25949 1149 1 17 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.306 0.026 25949 1150 1 17 . 1 1 25 25 CYS H H 25 8.622 8.622 7.959 0.663 25949 1151 1 17 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.037 -0.020 25949 1152 1 17 . 1 1 26 26 LEU H H 26 7.614 7.614 7.937 -0.323 25949 1153 1 17 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.376 -0.172 25949 1154 1 17 . 1 1 27 27 LYS H H 27 7.724 7.724 7.613 0.111 25949 1155 1 17 . 1 1 28 28 GLY H H 28 7.738 7.738 8.333 -0.595 25949 1156 1 17 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.579 -0.295 25949 1157 1 17 . 1 1 29 29 ILE H H 29 7.665 7.665 7.696 -0.031 25949 1158 1 17 . 1 1 30 30 GLY H H 30 8.354 8.354 8.440 -0.086 25949 1159 1 17 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.477 -0.080 25949 1160 1 17 . 1 1 31 31 HIS H H 31 8.236 8.236 8.386 -0.150 25949 1161 1 17 . 1 1 32 32 LYS HA H 32 3.947 3.947 3.993 -0.046 25949 1162 1 17 . 1 1 32 32 LYS H H 32 7.900 7.900 7.947 -0.047 25949 1163 1 17 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.602 0.000 25949 1164 1 17 . 1 1 33 33 TYR H H 33 7.750 7.750 7.334 0.416 25949 1165 1 17 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.182 -0.040 25949 1166 1 17 . 1 1 35 35 PHE HA H 35 4.404 4.404 5.017 -0.613 25949 1167 1 17 . 1 1 35 35 PHE H H 35 6.871 6.871 6.947 -0.076 25949 1168 1 17 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.717 0.051 25949 1169 1 17 . 1 1 36 36 CYS H H 36 7.429 7.429 7.836 -0.407 25949 1170 1 17 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.794 -0.174 25949 1171 1 17 . 1 1 37 37 HIS H H 37 8.640 8.640 8.848 -0.208 25949 1172 1 17 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.300 0.351 25949 1173 1 17 . 1 1 38 38 CYS H H 38 8.544 8.544 7.643 0.901 25949 1174 1 18 . 1 1 2 2 GLY H H 2 8.766 8.766 8.055 0.711 25949 1175 1 18 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.370 -0.071 25949 1176 1 18 . 1 1 3 3 GLU H H 3 8.598 8.598 8.355 0.243 25949 1177 1 18 . 1 1 4 4 GLY H H 4 8.461 8.461 8.433 0.028 25949 1178 1 18 . 1 1 5 5 THR HA H 5 4.201 4.201 4.290 -0.089 25949 1179 1 18 . 1 1 5 5 THR H H 5 7.920 7.920 7.509 0.411 25949 1180 1 18 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.637 -0.011 25949 1181 1 18 . 1 1 6 6 PHE H H 6 8.292 8.292 8.539 -0.247 25949 1182 1 18 . 1 1 7 7 THR HA H 7 4.212 4.212 4.539 -0.327 25949 1183 1 18 . 1 1 7 7 THR H H 7 8.000 8.000 8.585 -0.585 25949 1184 1 18 . 1 1 8 8 SER HA H 8 4.317 4.317 4.307 0.010 25949 1185 1 18 . 1 1 8 8 SER H H 8 8.230 8.230 8.733 -0.503 25949 1186 1 18 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.387 0.154 25949 1187 1 18 . 1 1 9 9 ASP H H 9 8.409 8.409 8.732 -0.323 25949 1188 1 18 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.108 0.065 25949 1189 1 18 . 1 1 10 10 LEU H H 10 8.135 8.135 7.857 0.278 25949 1190 1 18 . 1 1 11 11 SER HA H 11 4.091 4.091 4.350 -0.259 25949 1191 1 18 . 1 1 11 11 SER H H 11 8.137 8.137 8.169 -0.032 25949 1192 1 18 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.884 0.154 25949 1193 1 18 . 1 1 12 12 LYS H H 12 8.047 8.047 8.397 -0.350 25949 1194 1 18 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.487 -0.478 25949 1195 1 18 . 1 1 13 13 GLN H H 13 8.066 8.066 7.792 0.274 25949 1196 1 18 . 1 1 14 14 MET HA H 14 4.127 4.127 4.456 -0.329 25949 1197 1 18 . 1 1 14 14 MET H H 14 8.135 8.135 8.725 -0.590 25949 1198 1 18 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.498 -0.396 25949 1199 1 18 . 1 1 15 15 GLU H H 15 8.120 8.120 8.181 -0.061 25949 1200 1 18 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.472 -0.460 25949 1201 1 18 . 1 1 16 16 GLU H H 16 8.105 8.105 8.388 -0.283 25949 1202 1 18 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.838 0.107 25949 1203 1 18 . 1 1 17 17 GLU H H 17 8.028 8.028 8.619 -0.591 25949 1204 1 18 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.086 0.019 25949 1205 1 18 . 1 1 18 18 ALA H H 18 7.897 7.897 9.164 -1.267 25949 1206 1 18 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.166 -0.383 25949 1207 1 18 . 1 1 19 19 VAL H H 19 7.793 7.793 7.392 0.401 25949 1208 1 18 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.162 -0.097 25949 1209 1 18 . 1 1 20 20 ARG H H 20 7.866 7.866 8.263 -0.397 25949 1210 1 18 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.337 0.144 25949 1211 1 18 . 1 1 21 21 CYS H H 21 8.389 8.389 8.305 0.084 25949 1212 1 18 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.108 0.023 25949 1213 1 18 . 1 1 22 22 PHE H H 22 8.161 8.161 7.885 0.276 25949 1214 1 18 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.787 -0.173 25949 1215 1 18 . 1 1 23 23 ILE H H 23 7.706 7.706 8.009 -0.303 25949 1216 1 18 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.081 -0.171 25949 1217 1 18 . 1 1 24 24 GLU H H 24 8.164 8.164 8.282 -0.118 25949 1218 1 18 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.256 0.076 25949 1219 1 18 . 1 1 25 25 CYS H H 25 8.622 8.622 8.052 0.570 25949 1220 1 18 . 1 1 26 26 LEU HA H 26 4.017 4.017 3.876 0.141 25949 1221 1 18 . 1 1 26 26 LEU H H 26 7.614 7.614 7.807 -0.193 25949 1222 1 18 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.236 -0.032 25949 1223 1 18 . 1 1 27 27 LYS H H 27 7.724 7.724 7.530 0.194 25949 1224 1 18 . 1 1 28 28 GLY H H 28 7.738 7.738 7.947 -0.209 25949 1225 1 18 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.538 -0.254 25949 1226 1 18 . 1 1 29 29 ILE H H 29 7.665 7.665 7.607 0.058 25949 1227 1 18 . 1 1 30 30 GLY H H 30 8.354 8.354 8.485 -0.131 25949 1228 1 18 . 1 1 31 31 HIS HA H 31 4.397 4.397 3.944 0.453 25949 1229 1 18 . 1 1 31 31 HIS H H 31 8.236 8.236 8.599 -0.363 25949 1230 1 18 . 1 1 32 32 LYS HA H 32 3.947 3.947 3.861 0.086 25949 1231 1 18 . 1 1 32 32 LYS H H 32 7.900 7.900 8.287 -0.387 25949 1232 1 18 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.467 0.135 25949 1233 1 18 . 1 1 33 33 TYR H H 33 7.750 7.750 8.100 -0.350 25949 1234 1 18 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.147 -0.005 25949 1235 1 18 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.779 -0.375 25949 1236 1 18 . 1 1 35 35 PHE H H 35 6.871 6.871 7.007 -0.136 25949 1237 1 18 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.674 0.094 25949 1238 1 18 . 1 1 36 36 CYS H H 36 7.429 7.429 7.747 -0.318 25949 1239 1 18 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.916 -0.296 25949 1240 1 18 . 1 1 37 37 HIS H H 37 8.640 8.640 8.971 -0.331 25949 1241 1 18 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.308 0.343 25949 1242 1 18 . 1 1 38 38 CYS H H 38 8.544 8.544 7.753 0.791 25949 1243 1 19 . 1 1 2 2 GLY H H 2 8.766 8.766 7.933 0.833 25949 1244 1 19 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.276 0.023 25949 1245 1 19 . 1 1 3 3 GLU H H 3 8.598 8.598 8.511 0.087 25949 1246 1 19 . 1 1 4 4 GLY H H 4 8.461 8.461 8.197 0.264 25949 1247 1 19 . 1 1 5 5 THR HA H 5 4.201 4.201 4.501 -0.300 25949 1248 1 19 . 1 1 5 5 THR H H 5 7.920 7.920 7.556 0.364 25949 1249 1 19 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.758 -0.132 25949 1250 1 19 . 1 1 6 6 PHE H H 6 8.292 8.292 8.592 -0.300 25949 1251 1 19 . 1 1 7 7 THR HA H 7 4.212 4.212 4.683 -0.471 25949 1252 1 19 . 1 1 7 7 THR H H 7 8.000 8.000 8.471 -0.471 25949 1253 1 19 . 1 1 8 8 SER HA H 8 4.317 4.317 4.388 -0.071 25949 1254 1 19 . 1 1 8 8 SER H H 8 8.230 8.230 8.663 -0.433 25949 1255 1 19 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.343 0.198 25949 1256 1 19 . 1 1 9 9 ASP H H 9 8.409 8.409 8.983 -0.574 25949 1257 1 19 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.165 0.008 25949 1258 1 19 . 1 1 10 10 LEU H H 10 8.135 8.135 7.669 0.466 25949 1259 1 19 . 1 1 11 11 SER HA H 11 4.091 4.091 4.283 -0.192 25949 1260 1 19 . 1 1 11 11 SER H H 11 8.137 8.137 8.055 0.082 25949 1261 1 19 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.970 0.068 25949 1262 1 19 . 1 1 12 12 LYS H H 12 8.047 8.047 8.209 -0.162 25949 1263 1 19 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.385 -0.376 25949 1264 1 19 . 1 1 13 13 GLN H H 13 8.066 8.066 8.028 0.038 25949 1265 1 19 . 1 1 14 14 MET HA H 14 4.127 4.127 4.202 -0.075 25949 1266 1 19 . 1 1 14 14 MET H H 14 8.135 8.135 8.112 0.023 25949 1267 1 19 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.295 -0.193 25949 1268 1 19 . 1 1 15 15 GLU H H 15 8.120 8.120 8.453 -0.333 25949 1269 1 19 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.394 -0.382 25949 1270 1 19 . 1 1 16 16 GLU H H 16 8.105 8.105 8.817 -0.712 25949 1271 1 19 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.776 0.169 25949 1272 1 19 . 1 1 17 17 GLU H H 17 8.028 8.028 7.700 0.328 25949 1273 1 19 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.147 -0.042 25949 1274 1 19 . 1 1 18 18 ALA H H 18 7.897 7.897 8.995 -1.098 25949 1275 1 19 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.073 -0.290 25949 1276 1 19 . 1 1 19 19 VAL H H 19 7.793 7.793 7.655 0.138 25949 1277 1 19 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.916 0.148 25949 1278 1 19 . 1 1 20 20 ARG H H 20 7.866 7.866 8.637 -0.771 25949 1279 1 19 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.196 0.285 25949 1280 1 19 . 1 1 21 21 CYS H H 21 8.389 8.389 8.290 0.099 25949 1281 1 19 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.289 -0.158 25949 1282 1 19 . 1 1 22 22 PHE H H 22 8.161 8.161 7.358 0.803 25949 1283 1 19 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.875 -0.261 25949 1284 1 19 . 1 1 23 23 ILE H H 23 7.706 7.706 7.798 -0.092 25949 1285 1 19 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.087 -0.177 25949 1286 1 19 . 1 1 24 24 GLU H H 24 8.164 8.164 8.199 -0.035 25949 1287 1 19 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.291 0.041 25949 1288 1 19 . 1 1 25 25 CYS H H 25 8.622 8.622 8.134 0.488 25949 1289 1 19 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.170 -0.153 25949 1290 1 19 . 1 1 26 26 LEU H H 26 7.614 7.614 7.739 -0.125 25949 1291 1 19 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.330 -0.126 25949 1292 1 19 . 1 1 27 27 LYS H H 27 7.724 7.724 7.633 0.091 25949 1293 1 19 . 1 1 28 28 GLY H H 28 7.738 7.738 8.332 -0.594 25949 1294 1 19 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.590 -0.306 25949 1295 1 19 . 1 1 29 29 ILE H H 29 7.665 7.665 7.861 -0.196 25949 1296 1 19 . 1 1 30 30 GLY H H 30 8.354 8.354 8.465 -0.111 25949 1297 1 19 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.588 -0.191 25949 1298 1 19 . 1 1 31 31 HIS H H 31 8.236 8.236 8.365 -0.129 25949 1299 1 19 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.068 -0.121 25949 1300 1 19 . 1 1 32 32 LYS H H 32 7.900 7.900 7.962 -0.062 25949 1301 1 19 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.643 -0.041 25949 1302 1 19 . 1 1 33 33 TYR H H 33 7.750 7.750 7.531 0.219 25949 1303 1 19 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.190 -0.048 25949 1304 1 19 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.895 -0.491 25949 1305 1 19 . 1 1 35 35 PHE H H 35 6.871 6.871 7.083 -0.212 25949 1306 1 19 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.333 0.435 25949 1307 1 19 . 1 1 36 36 CYS H H 36 7.429 7.429 7.812 -0.383 25949 1308 1 19 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.481 0.139 25949 1309 1 19 . 1 1 37 37 HIS H H 37 8.640 8.640 8.166 0.474 25949 1310 1 19 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.351 0.300 25949 1311 1 19 . 1 1 38 38 CYS H H 38 8.544 8.544 7.374 1.170 25949 1312 1 20 . 1 1 2 2 GLY H H 2 8.766 8.766 8.014 0.752 25949 1313 1 20 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.365 -0.066 25949 1314 1 20 . 1 1 3 3 GLU H H 3 8.598 8.598 8.737 -0.139 25949 1315 1 20 . 1 1 4 4 GLY H H 4 8.461 8.461 7.630 0.831 25949 1316 1 20 . 1 1 5 5 THR HA H 5 4.201 4.201 4.565 -0.364 25949 1317 1 20 . 1 1 5 5 THR H H 5 7.920 7.920 8.237 -0.317 25949 1318 1 20 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.886 -0.260 25949 1319 1 20 . 1 1 6 6 PHE H H 6 8.292 8.292 7.952 0.340 25949 1320 1 20 . 1 1 7 7 THR HA H 7 4.212 4.212 4.536 -0.324 25949 1321 1 20 . 1 1 7 7 THR H H 7 8.000 8.000 8.446 -0.446 25949 1322 1 20 . 1 1 8 8 SER HA H 8 4.317 4.317 4.344 -0.027 25949 1323 1 20 . 1 1 8 8 SER H H 8 8.230 8.230 8.495 -0.265 25949 1324 1 20 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.469 0.072 25949 1325 1 20 . 1 1 9 9 ASP H H 9 8.409 8.409 8.714 -0.305 25949 1326 1 20 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.122 0.051 25949 1327 1 20 . 1 1 10 10 LEU H H 10 8.135 8.135 7.731 0.404 25949 1328 1 20 . 1 1 11 11 SER HA H 11 4.091 4.091 4.498 -0.407 25949 1329 1 20 . 1 1 11 11 SER H H 11 8.137 8.137 7.737 0.400 25949 1330 1 20 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.893 0.145 25949 1331 1 20 . 1 1 12 12 LYS H H 12 8.047 8.047 7.783 0.264 25949 1332 1 20 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.248 -0.239 25949 1333 1 20 . 1 1 13 13 GLN H H 13 8.066 8.066 7.467 0.599 25949 1334 1 20 . 1 1 14 14 MET HA H 14 4.127 4.127 4.432 -0.305 25949 1335 1 20 . 1 1 14 14 MET H H 14 8.135 8.135 8.331 -0.196 25949 1336 1 20 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.491 -0.389 25949 1337 1 20 . 1 1 15 15 GLU H H 15 8.120 8.120 8.660 -0.540 25949 1338 1 20 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.516 -0.504 25949 1339 1 20 . 1 1 16 16 GLU H H 16 8.105 8.105 7.924 0.181 25949 1340 1 20 . 1 1 17 17 GLU HA H 17 3.945 3.945 4.077 -0.132 25949 1341 1 20 . 1 1 17 17 GLU H H 17 8.028 8.028 8.287 -0.259 25949 1342 1 20 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.209 -0.104 25949 1343 1 20 . 1 1 18 18 ALA H H 18 7.897 7.897 8.463 -0.566 25949 1344 1 20 . 1 1 19 19 VAL HA H 19 3.783 3.783 3.796 -0.013 25949 1345 1 20 . 1 1 19 19 VAL H H 19 7.793 7.793 7.621 0.172 25949 1346 1 20 . 1 1 20 20 ARG HA H 20 4.064 4.064 3.749 0.315 25949 1347 1 20 . 1 1 20 20 ARG H H 20 7.866 7.866 8.168 -0.302 25949 1348 1 20 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.510 -0.029 25949 1349 1 20 . 1 1 21 21 CYS H H 21 8.389 8.389 8.195 0.194 25949 1350 1 20 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.154 -0.023 25949 1351 1 20 . 1 1 22 22 PHE H H 22 8.161 8.161 7.503 0.658 25949 1352 1 20 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.818 -0.204 25949 1353 1 20 . 1 1 23 23 ILE H H 23 7.706 7.706 7.710 -0.004 25949 1354 1 20 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.048 -0.138 25949 1355 1 20 . 1 1 24 24 GLU H H 24 8.164 8.164 8.125 0.039 25949 1356 1 20 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.585 -0.253 25949 1357 1 20 . 1 1 25 25 CYS H H 25 8.622 8.622 8.331 0.291 25949 1358 1 20 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.037 -0.020 25949 1359 1 20 . 1 1 26 26 LEU H H 26 7.614 7.614 7.776 -0.162 25949 1360 1 20 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.254 -0.050 25949 1361 1 20 . 1 1 27 27 LYS H H 27 7.724 7.724 7.566 0.158 25949 1362 1 20 . 1 1 28 28 GLY H H 28 7.738 7.738 7.899 -0.161 25949 1363 1 20 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.448 -0.164 25949 1364 1 20 . 1 1 29 29 ILE H H 29 7.665 7.665 7.682 -0.017 25949 1365 1 20 . 1 1 30 30 GLY H H 30 8.354 8.354 8.254 0.100 25949 1366 1 20 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.186 0.211 25949 1367 1 20 . 1 1 31 31 HIS H H 31 8.236 8.236 8.435 -0.199 25949 1368 1 20 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.174 -0.227 25949 1369 1 20 . 1 1 32 32 LYS H H 32 7.900 7.900 8.345 -0.445 25949 1370 1 20 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.670 -0.068 25949 1371 1 20 . 1 1 33 33 TYR H H 33 7.750 7.750 7.675 0.075 25949 1372 1 20 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.239 -0.097 25949 1373 1 20 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.892 -0.488 25949 1374 1 20 . 1 1 35 35 PHE H H 35 6.871 6.871 7.027 -0.156 25949 1375 1 20 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.610 0.158 25949 1376 1 20 . 1 1 36 36 CYS H H 36 7.429 7.429 7.884 -0.455 25949 1377 1 20 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.633 -0.013 25949 1378 1 20 . 1 1 37 37 HIS H H 37 8.640 8.640 9.019 -0.379 25949 1379 1 20 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.641 0.010 25949 1380 1 20 . 1 1 38 38 CYS H H 38 8.544 8.544 7.880 0.664 25949 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 25949 2 1 1 "Average Difference" HA 41 0.290 0.118 0.268 25949 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25949 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25949 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25949 6 1 1 "Average Difference" HN 36 0.459 0.081 0.458 25949 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25949 8 1 2 "Average Difference" HA 41 0.253 0.041 0.253 25949 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25949 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25949 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25949 12 1 2 "Average Difference" HN 36 0.424 0.031 0.428 25949 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25949 14 1 3 "Average Difference" HA 41 0.228 0.132 0.189 25949 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25949 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25949 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25949 18 1 3 "Average Difference" HN 36 0.448 0.074 0.449 25949 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25949 20 1 4 "Average Difference" HA 41 0.257 0.106 0.236 25949 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25949 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25949 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25949 24 1 4 "Average Difference" HN 36 0.384 0.099 0.376 25949 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25949 26 1 5 "Average Difference" HA 41 0.270 0.098 0.255 25949 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25949 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25949 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25949 30 1 5 "Average Difference" HN 36 0.418 0.083 0.416 25949 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25949 32 1 6 "Average Difference" HA 41 0.223 0.091 0.206 25949 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25949 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25949 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25949 36 1 6 "Average Difference" HN 36 0.430 0.103 0.423 25949 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25949 38 1 7 "Average Difference" HA 41 0.227 0.101 0.205 25949 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25949 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25949 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25949 42 1 7 "Average Difference" HN 36 0.422 0.023 0.427 25949 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25949 44 1 8 "Average Difference" HA 41 0.308 0.060 0.306 25949 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25949 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25949 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25949 48 1 8 "Average Difference" HN 36 0.489 0.104 0.484 25949 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25949 50 1 9 "Average Difference" HA 41 0.218 0.038 0.218 25949 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25949 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25949 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25949 54 1 9 "Average Difference" HN 36 0.358 -0.066 0.357 25949 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25949 56 1 10 "Average Difference" HA 41 0.225 0.052 0.221 25949 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25949 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25949 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25949 60 1 10 "Average Difference" HN 36 0.408 0.045 0.411 25949 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25949 62 1 11 "Average Difference" HA 41 0.228 0.117 0.199 25949 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25949 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25949 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25949 66 1 11 "Average Difference" HN 36 0.405 0.065 0.406 25949 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25949 68 1 12 "Average Difference" HA 41 0.260 0.034 0.261 25949 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25949 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25949 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25949 72 1 12 "Average Difference" HN 36 0.404 0.024 0.409 25949 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25949 74 1 13 "Average Difference" HA 41 0.235 0.056 0.231 25949 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25949 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25949 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25949 78 1 13 "Average Difference" HN 36 0.433 0.003 0.439 25949 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25949 80 1 14 "Average Difference" HA 41 0.277 0.094 0.263 25949 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25949 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25949 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25949 84 1 14 "Average Difference" HN 36 0.332 -0.016 0.336 25949 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25949 86 1 15 "Average Difference" HA 41 0.218 0.081 0.205 25949 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25949 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25949 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25949 90 1 15 "Average Difference" HN 36 0.416 0.077 0.415 25949 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25949 92 1 16 "Average Difference" HA 41 0.262 0.085 0.251 25949 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25949 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25949 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25949 96 1 16 "Average Difference" HN 36 0.391 0.019 0.396 25949 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25949 98 1 17 "Average Difference" HA 41 0.265 0.142 0.227 25949 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25949 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25949 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25949 102 1 17 "Average Difference" HN 36 0.447 0.011 0.453 25949 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25949 104 1 18 "Average Difference" HA 41 0.241 0.029 0.242 25949 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25949 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25949 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25949 108 1 18 "Average Difference" HN 36 0.421 0.104 0.414 25949 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25949 110 1 19 "Average Difference" HA 41 0.219 0.062 0.213 25949 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25949 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25949 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25949 114 1 19 "Average Difference" HN 36 0.463 0.023 0.469 25949 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25949 116 1 20 "Average Difference" HA 41 0.228 0.116 0.199 25949 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25949 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25949 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25949 120 1 20 "Average Difference" HN 36 0.379 -0.022 0.384 25949 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 25949 _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 GLY H H 2 8.766 8.766 8.270 0.497 25949 2 1 . 1 1 3 3 GLU HA H 3 4.299 4.299 4.274 0.025 25949 3 1 . 1 1 3 3 GLU H H 3 8.598 8.598 8.570 0.028 25949 4 1 . 1 1 4 4 GLY H H 4 8.461 8.461 8.189 0.272 25949 5 1 . 1 1 5 5 THR HA H 5 4.201 4.201 4.425 -0.224 25949 6 1 . 1 1 5 5 THR H H 5 7.920 7.920 7.755 0.165 25949 7 1 . 1 1 6 6 PHE HA H 6 4.626 4.626 4.709 -0.083 25949 8 1 . 1 1 6 6 PHE H H 6 8.292 8.292 8.528 -0.236 25949 9 1 . 1 1 7 7 THR HA H 7 4.212 4.212 4.528 -0.316 25949 10 1 . 1 1 7 7 THR H H 7 8.000 8.000 8.349 -0.349 25949 11 1 . 1 1 8 8 SER HA H 8 4.317 4.317 4.486 -0.169 25949 12 1 . 1 1 8 8 SER H H 8 8.230 8.230 8.529 -0.299 25949 13 1 . 1 1 9 9 ASP HA H 9 4.541 4.541 4.349 0.192 25949 14 1 . 1 1 9 9 ASP H H 9 8.409 8.409 8.811 -0.403 25949 15 1 . 1 1 10 10 LEU HA H 10 4.173 4.173 4.172 0.001 25949 16 1 . 1 1 10 10 LEU H H 10 8.135 8.135 7.858 0.277 25949 17 1 . 1 1 11 11 SER HA H 11 4.091 4.091 4.364 -0.273 25949 18 1 . 1 1 11 11 SER H H 11 8.137 8.137 7.950 0.187 25949 19 1 . 1 1 12 12 LYS HA H 12 4.038 4.038 3.987 0.051 25949 20 1 . 1 1 12 12 LYS H H 12 8.047 8.047 8.201 -0.154 25949 21 1 . 1 1 13 13 GLN HA H 13 4.009 4.009 4.341 -0.332 25949 22 1 . 1 1 13 13 GLN H H 13 8.066 8.066 8.021 0.045 25949 23 1 . 1 1 14 14 MET HA H 14 4.127 4.127 4.491 -0.364 25949 24 1 . 1 1 14 14 MET H H 14 8.135 8.135 8.247 -0.112 25949 25 1 . 1 1 15 15 GLU HA H 15 4.102 4.102 4.293 -0.191 25949 26 1 . 1 1 15 15 GLU H H 15 8.120 8.120 8.437 -0.317 25949 27 1 . 1 1 16 16 GLU HA H 16 4.012 4.012 4.341 -0.328 25949 28 1 . 1 1 16 16 GLU H H 16 8.105 8.105 8.247 -0.142 25949 29 1 . 1 1 17 17 GLU HA H 17 3.945 3.945 3.948 -0.003 25949 30 1 . 1 1 17 17 GLU H H 17 8.028 8.028 8.139 -0.111 25949 31 1 . 1 1 18 18 ALA HA H 18 4.105 4.105 4.141 -0.036 25949 32 1 . 1 1 18 18 ALA H H 18 7.897 7.897 8.731 -0.834 25949 33 1 . 1 1 19 19 VAL HA H 19 3.783 3.783 4.093 -0.310 25949 34 1 . 1 1 19 19 VAL H H 19 7.793 7.793 7.486 0.307 25949 35 1 . 1 1 20 20 ARG HA H 20 4.064 4.064 4.011 0.053 25949 36 1 . 1 1 20 20 ARG H H 20 7.866 7.866 8.224 -0.358 25949 37 1 . 1 1 21 21 CYS HA H 21 4.481 4.481 4.435 0.046 25949 38 1 . 1 1 21 21 CYS H H 21 8.389 8.389 8.134 0.255 25949 39 1 . 1 1 22 22 PHE HA H 22 4.131 4.131 4.156 -0.025 25949 40 1 . 1 1 22 22 PHE H H 22 8.161 8.161 7.747 0.414 25949 41 1 . 1 1 23 23 ILE HA H 23 3.614 3.614 3.829 -0.215 25949 42 1 . 1 1 23 23 ILE H H 23 7.706 7.706 7.937 -0.231 25949 43 1 . 1 1 24 24 GLU HA H 24 3.910 3.910 4.085 -0.175 25949 44 1 . 1 1 24 24 GLU H H 24 8.164 8.164 8.123 0.041 25949 45 1 . 1 1 25 25 CYS HA H 25 4.332 4.332 4.420 -0.088 25949 46 1 . 1 1 25 25 CYS H H 25 8.622 8.622 8.322 0.300 25949 47 1 . 1 1 26 26 LEU HA H 26 4.017 4.017 4.032 -0.015 25949 48 1 . 1 1 26 26 LEU H H 26 7.614 7.614 7.888 -0.274 25949 49 1 . 1 1 27 27 LYS HA H 27 4.204 4.204 4.315 -0.111 25949 50 1 . 1 1 27 27 LYS H H 27 7.724 7.724 7.595 0.129 25949 51 1 . 1 1 28 28 GLY H H 28 7.738 7.738 8.209 -0.471 25949 52 1 . 1 1 29 29 ILE HA H 29 4.284 4.284 4.540 -0.256 25949 53 1 . 1 1 29 29 ILE H H 29 7.665 7.665 7.678 -0.013 25949 54 1 . 1 1 30 30 GLY H H 30 8.354 8.354 8.441 -0.087 25949 55 1 . 1 1 31 31 HIS HA H 31 4.397 4.397 4.278 0.119 25949 56 1 . 1 1 31 31 HIS H H 31 8.236 8.236 8.413 -0.177 25949 57 1 . 1 1 32 32 LYS HA H 32 3.947 3.947 4.099 -0.152 25949 58 1 . 1 1 32 32 LYS H H 32 7.900 7.900 8.225 -0.325 25949 59 1 . 1 1 33 33 TYR HA H 33 4.602 4.602 4.613 -0.011 25949 60 1 . 1 1 33 33 TYR H H 33 7.750 7.750 7.515 0.235 25949 61 1 . 1 1 34 34 PRO HA H 34 4.142 4.142 4.245 -0.103 25949 62 1 . 1 1 35 35 PHE HA H 35 4.404 4.404 4.747 -0.343 25949 63 1 . 1 1 35 35 PHE H H 35 6.871 6.871 6.984 -0.113 25949 64 1 . 1 1 36 36 CYS HA H 36 4.768 4.768 4.569 0.199 25949 65 1 . 1 1 36 36 CYS H H 36 7.429 7.429 7.664 -0.234 25949 66 1 . 1 1 37 37 HIS HA H 37 4.620 4.620 4.696 -0.075 25949 67 1 . 1 1 37 37 HIS H H 37 8.640 8.640 8.679 -0.039 25949 68 1 . 1 1 38 38 CYS HA H 38 4.651 4.651 4.468 0.183 25949 69 1 . 1 1 38 38 CYS H H 38 8.544 8.544 7.969 0.575 25949 stop_ save_