data_19493 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19493 _Entry.PDB_ID 2MDN 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 19493 _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 LYS HA H 2 4.288 4.288 4.287 0.001 19493 2 1 1 . 1 1 2 2 LYS H H 2 8.518 8.518 8.339 0.179 19493 3 1 1 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.416 -0.029 19493 4 1 1 . 1 1 3 3 ALA H H 3 8.409 8.409 8.423 -0.014 19493 5 1 1 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.916 -0.057 19493 6 1 1 . 1 1 4 4 CYS H H 4 8.191 8.191 7.416 0.775 19493 7 1 1 . 1 1 5 5 THR HA H 5 4.447 4.447 4.357 0.090 19493 8 1 1 . 1 1 5 5 THR H H 5 9.026 9.026 8.284 0.742 19493 9 1 1 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.138 0.102 19493 10 1 1 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.394 -1.191 19493 11 1 1 . 1 1 7 7 LEU H H 7 7.703 7.703 8.254 -0.551 19493 12 1 1 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.061 -0.239 19493 13 1 1 . 1 1 8 8 LEU H H 8 9.450 9.450 8.973 0.477 19493 14 1 1 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.818 -0.099 19493 15 1 1 . 1 1 9 9 HIS H H 9 8.125 8.125 7.865 0.260 19493 16 1 1 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.211 -0.360 19493 17 1 1 . 1 1 10 10 ASP H H 10 8.368 8.368 8.566 -0.198 19493 18 1 1 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.884 0.235 19493 19 1 1 . 1 1 11 11 CYS H H 11 8.035 8.035 8.347 -0.312 19493 20 1 1 . 1 1 12 12 SER HA H 12 4.698 4.698 4.033 0.665 19493 21 1 1 . 1 1 12 12 SER H H 12 8.785 8.785 8.449 0.336 19493 22 1 1 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.362 0.260 19493 23 1 1 . 1 1 13 13 HIS H H 13 8.595 8.595 8.534 0.061 19493 24 1 1 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.580 0.095 19493 25 1 1 . 1 1 14 14 ASP H H 14 7.284 7.284 7.080 0.204 19493 26 1 1 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.133 0.539 19493 27 1 1 . 1 1 15 15 ARG H H 15 9.017 9.017 8.502 0.515 19493 28 1 1 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.674 0.368 19493 29 1 1 . 1 1 16 16 HIS H H 16 8.529 8.529 8.183 0.346 19493 30 1 1 . 1 1 17 17 SER HA H 17 4.472 4.472 4.563 -0.091 19493 31 1 1 . 1 1 17 17 SER H H 17 7.481 7.481 7.977 -0.496 19493 32 1 1 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.393 0.659 19493 33 1 1 . 1 1 18 18 CYS H H 18 8.713 8.713 7.704 1.009 19493 34 1 1 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.650 -0.173 19493 35 1 1 . 1 1 19 19 CYS H H 19 8.935 8.935 8.373 0.562 19493 36 1 1 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.511 -0.349 19493 37 1 1 . 1 1 20 20 ARG H H 20 8.186 8.186 8.454 -0.268 19493 38 1 1 . 1 1 21 21 GLY H H 21 7.686 7.686 7.807 -0.121 19493 39 1 1 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.438 -0.139 19493 40 1 1 . 1 1 22 22 ASP H H 22 8.447 8.447 8.178 0.269 19493 41 1 1 . 1 1 23 23 MET HA H 23 4.354 4.354 4.520 -0.166 19493 42 1 1 . 1 1 23 23 MET H H 23 8.219 8.219 7.856 0.363 19493 43 1 1 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.785 -0.043 19493 44 1 1 . 1 1 24 24 PHE H H 24 7.225 7.225 7.281 -0.056 19493 45 1 1 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.700 -0.609 19493 46 1 1 . 1 1 25 25 LYS H H 25 8.502 8.502 8.351 0.151 19493 47 1 1 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.928 0.129 19493 48 1 1 . 1 1 26 26 TYR H H 26 7.625 7.625 8.527 -0.902 19493 49 1 1 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.589 -0.132 19493 50 1 1 . 1 1 27 27 VAL H H 27 9.082 9.082 8.718 0.364 19493 51 1 1 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.418 -0.725 19493 52 1 1 . 1 1 28 28 CYS H H 28 8.824 8.824 8.864 -0.040 19493 53 1 1 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.935 -0.002 19493 54 1 1 . 1 1 29 29 ASP H H 29 8.615 8.615 8.801 -0.186 19493 55 1 1 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.285 0.495 19493 56 1 1 . 1 1 30 30 CYS H H 30 8.562 8.562 8.699 -0.137 19493 57 1 1 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.794 -0.039 19493 58 1 1 . 1 1 31 31 PHE H H 31 9.083 9.083 8.446 0.637 19493 59 1 1 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.882 0.056 19493 60 1 1 . 1 1 32 32 TYR H H 32 8.682 8.682 8.348 0.334 19493 61 1 1 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.577 -0.095 19493 62 1 1 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.103 0.198 19493 63 1 1 . 1 1 34 34 GLU H H 34 8.529 8.529 8.486 0.043 19493 64 1 1 . 1 1 35 35 GLY H H 35 8.253 8.253 8.078 0.175 19493 65 1 1 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.532 -0.319 19493 66 1 1 . 1 1 36 36 GLU H H 36 8.174 8.174 7.989 0.185 19493 67 1 1 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.684 -0.177 19493 68 1 1 . 1 1 37 37 ASP H H 37 8.339 8.339 8.658 -0.319 19493 69 1 1 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.579 -0.129 19493 70 1 1 . 1 1 38 38 LYS H H 38 7.963 7.963 7.994 -0.031 19493 71 1 1 . 1 1 39 39 THR HA H 39 4.311 4.311 4.513 -0.202 19493 72 1 1 . 1 1 39 39 THR H H 39 7.944 7.944 7.537 0.407 19493 73 1 1 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.516 -0.629 19493 74 1 1 . 1 1 40 40 GLU H H 40 8.409 8.409 8.424 -0.015 19493 75 1 1 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.048 0.002 19493 76 1 1 . 1 1 41 41 VAL H H 41 8.380 8.380 8.563 -0.183 19493 77 1 1 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.402 0.352 19493 78 1 1 . 1 1 42 42 CYS H H 42 8.718 8.718 8.905 -0.187 19493 79 1 1 . 1 1 43 43 SER HA H 43 5.198 5.198 5.322 -0.124 19493 80 1 1 . 1 1 43 43 SER H H 43 8.833 8.833 9.083 -0.250 19493 81 1 1 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.458 -0.243 19493 82 1 1 . 1 1 44 44 CYS H H 44 7.931 7.931 8.834 -0.903 19493 83 1 1 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.827 -0.172 19493 84 1 1 . 1 1 45 45 GLN H H 45 9.842 9.842 9.250 0.592 19493 85 1 1 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.643 0.084 19493 86 1 1 . 1 1 46 46 GLN H H 46 8.887 8.887 8.596 0.291 19493 87 1 1 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.270 0.120 19493 88 1 1 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.114 0.128 19493 89 1 1 . 1 1 48 48 LYS H H 48 8.376 8.376 8.069 0.307 19493 90 1 1 . 1 1 49 49 SER HA H 49 4.343 4.343 4.369 -0.026 19493 91 1 1 . 1 1 49 49 SER H H 49 8.187 8.187 8.453 -0.266 19493 92 1 1 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.783 -0.106 19493 93 1 1 . 1 1 50 50 HIS H H 50 8.496 8.496 7.797 0.699 19493 94 1 1 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.443 -0.179 19493 95 1 1 . 1 1 51 51 LYS H H 51 8.287 8.287 8.146 0.141 19493 96 1 1 . 1 1 52 52 ILE HA H 52 4.100 4.100 3.952 0.148 19493 97 1 1 . 1 1 52 52 ILE H H 52 8.173 8.173 8.097 0.076 19493 98 1 1 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.310 -0.026 19493 99 1 1 . 1 1 53 53 ALA H H 53 8.322 8.322 8.220 0.102 19493 100 1 1 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.288 -0.016 19493 101 1 1 . 1 1 54 54 GLU H H 54 8.206 8.206 8.573 -0.367 19493 102 1 1 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.214 0.056 19493 103 1 1 . 1 1 55 55 LYS H H 55 8.287 8.287 8.101 0.186 19493 104 1 1 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.337 -0.229 19493 105 1 1 . 1 1 56 56 ILE H H 56 8.157 8.157 7.728 0.429 19493 106 1 1 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.454 -0.332 19493 107 1 1 . 1 1 57 57 ILE H H 57 8.192 8.192 8.263 -0.071 19493 108 1 1 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.581 0.059 19493 109 1 1 . 1 1 58 58 ASP H H 58 8.408 8.408 8.397 0.011 19493 110 1 1 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.170 0.048 19493 111 1 1 . 1 1 59 59 LYS H H 59 8.254 8.254 7.741 0.513 19493 112 1 1 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.381 -0.119 19493 113 1 1 . 1 1 60 60 ALA H H 60 8.183 8.183 8.211 -0.028 19493 114 1 1 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.166 0.169 19493 115 1 1 . 1 1 61 61 LYS H H 61 8.175 8.175 8.368 -0.193 19493 116 1 1 . 1 1 62 62 THR HA H 62 4.374 4.374 4.531 -0.157 19493 117 1 1 . 1 1 62 62 THR H H 62 8.105 8.105 8.276 -0.171 19493 118 1 1 . 1 1 63 63 THR HA H 63 4.334 4.334 4.351 -0.017 19493 119 1 1 . 1 1 63 63 THR H H 63 8.068 8.068 8.552 -0.484 19493 120 1 2 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.603 -0.315 19493 121 1 2 . 1 1 2 2 LYS H H 2 8.518 8.518 7.855 0.663 19493 122 1 2 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.378 0.009 19493 123 1 2 . 1 1 3 3 ALA H H 3 8.409 8.409 8.522 -0.113 19493 124 1 2 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.852 0.007 19493 125 1 2 . 1 1 4 4 CYS H H 4 8.191 8.191 7.696 0.495 19493 126 1 2 . 1 1 5 5 THR HA H 5 4.447 4.447 4.328 0.119 19493 127 1 2 . 1 1 5 5 THR H H 5 9.026 9.026 8.417 0.609 19493 128 1 2 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.079 0.161 19493 129 1 2 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.458 -1.255 19493 130 1 2 . 1 1 7 7 LEU H H 7 7.703 7.703 8.209 -0.506 19493 131 1 2 . 1 1 8 8 LEU HA H 8 3.822 3.822 3.999 -0.177 19493 132 1 2 . 1 1 8 8 LEU H H 8 9.450 9.450 8.929 0.521 19493 133 1 2 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.853 -0.134 19493 134 1 2 . 1 1 9 9 HIS H H 9 8.125 8.125 7.876 0.249 19493 135 1 2 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.111 -0.260 19493 136 1 2 . 1 1 10 10 ASP H H 10 8.368 8.368 8.535 -0.167 19493 137 1 2 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.939 0.180 19493 138 1 2 . 1 1 11 11 CYS H H 11 8.035 8.035 8.383 -0.348 19493 139 1 2 . 1 1 12 12 SER HA H 12 4.698 4.698 4.116 0.582 19493 140 1 2 . 1 1 12 12 SER H H 12 8.785 8.785 8.287 0.498 19493 141 1 2 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.342 0.280 19493 142 1 2 . 1 1 13 13 HIS H H 13 8.595 8.595 8.495 0.100 19493 143 1 2 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.800 -0.125 19493 144 1 2 . 1 1 14 14 ASP H H 14 7.284 7.284 7.904 -0.620 19493 145 1 2 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.198 0.474 19493 146 1 2 . 1 1 15 15 ARG H H 15 9.017 9.017 8.786 0.231 19493 147 1 2 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.706 0.336 19493 148 1 2 . 1 1 16 16 HIS H H 16 8.529 8.529 8.125 0.404 19493 149 1 2 . 1 1 17 17 SER HA H 17 4.472 4.472 4.459 0.013 19493 150 1 2 . 1 1 17 17 SER H H 17 7.481 7.481 7.959 -0.478 19493 151 1 2 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.406 0.646 19493 152 1 2 . 1 1 18 18 CYS H H 18 8.713 8.713 7.665 1.048 19493 153 1 2 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.534 -0.057 19493 154 1 2 . 1 1 19 19 CYS H H 19 8.935 8.935 8.303 0.632 19493 155 1 2 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.587 -0.425 19493 156 1 2 . 1 1 20 20 ARG H H 20 8.186 8.186 8.490 -0.304 19493 157 1 2 . 1 1 21 21 GLY H H 21 7.686 7.686 8.201 -0.515 19493 158 1 2 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.568 -0.269 19493 159 1 2 . 1 1 22 22 ASP H H 22 8.447 8.447 8.471 -0.024 19493 160 1 2 . 1 1 23 23 MET HA H 23 4.354 4.354 4.386 -0.032 19493 161 1 2 . 1 1 23 23 MET H H 23 8.219 8.219 7.690 0.529 19493 162 1 2 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.645 0.097 19493 163 1 2 . 1 1 24 24 PHE H H 24 7.225 7.225 7.665 -0.440 19493 164 1 2 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.751 -0.660 19493 165 1 2 . 1 1 25 25 LYS H H 25 8.502 8.502 8.621 -0.119 19493 166 1 2 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.735 0.322 19493 167 1 2 . 1 1 26 26 TYR H H 26 7.625 7.625 8.601 -0.976 19493 168 1 2 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.565 -0.108 19493 169 1 2 . 1 1 27 27 VAL H H 27 9.082 9.082 8.803 0.279 19493 170 1 2 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.467 -0.774 19493 171 1 2 . 1 1 28 28 CYS H H 28 8.824 8.824 8.880 -0.056 19493 172 1 2 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.073 -0.140 19493 173 1 2 . 1 1 29 29 ASP H H 29 8.615 8.615 8.766 -0.151 19493 174 1 2 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.390 0.390 19493 175 1 2 . 1 1 30 30 CYS H H 30 8.562 8.562 8.464 0.097 19493 176 1 2 . 1 1 31 31 PHE HA H 31 4.755 4.755 5.004 -0.249 19493 177 1 2 . 1 1 31 31 PHE H H 31 9.083 9.083 8.615 0.468 19493 178 1 2 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.892 0.046 19493 179 1 2 . 1 1 32 32 TYR H H 32 8.682 8.682 8.670 0.012 19493 180 1 2 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.672 -0.190 19493 181 1 2 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.162 0.138 19493 182 1 2 . 1 1 34 34 GLU H H 34 8.529 8.529 8.596 -0.067 19493 183 1 2 . 1 1 35 35 GLY H H 35 8.253 8.253 8.098 0.155 19493 184 1 2 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.598 -0.384 19493 185 1 2 . 1 1 36 36 GLU H H 36 8.174 8.174 8.307 -0.133 19493 186 1 2 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.707 -0.200 19493 187 1 2 . 1 1 37 37 ASP H H 37 8.339 8.339 8.662 -0.323 19493 188 1 2 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.430 0.020 19493 189 1 2 . 1 1 38 38 LYS H H 38 7.963 7.963 7.966 -0.003 19493 190 1 2 . 1 1 39 39 THR HA H 39 4.311 4.311 4.567 -0.256 19493 191 1 2 . 1 1 39 39 THR H H 39 7.944 7.944 7.724 0.220 19493 192 1 2 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.188 -0.301 19493 193 1 2 . 1 1 40 40 GLU H H 40 8.409 8.409 8.412 -0.003 19493 194 1 2 . 1 1 41 41 VAL HA H 41 4.050 4.050 3.980 0.070 19493 195 1 2 . 1 1 41 41 VAL H H 41 8.380 8.380 7.790 0.590 19493 196 1 2 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.457 0.297 19493 197 1 2 . 1 1 42 42 CYS H H 42 8.718 8.718 8.760 -0.042 19493 198 1 2 . 1 1 43 43 SER HA H 43 5.198 5.198 5.353 -0.155 19493 199 1 2 . 1 1 43 43 SER H H 43 8.833 8.833 9.197 -0.364 19493 200 1 2 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.486 -0.271 19493 201 1 2 . 1 1 44 44 CYS H H 44 7.931 7.931 8.814 -0.883 19493 202 1 2 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.778 -0.123 19493 203 1 2 . 1 1 45 45 GLN H H 45 9.842 9.842 9.266 0.576 19493 204 1 2 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.598 0.129 19493 205 1 2 . 1 1 46 46 GLN H H 46 8.887 8.887 8.620 0.267 19493 206 1 2 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.280 0.110 19493 207 1 2 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.439 -0.197 19493 208 1 2 . 1 1 48 48 LYS H H 48 8.376 8.376 7.923 0.453 19493 209 1 2 . 1 1 49 49 SER HA H 49 4.343 4.343 4.655 -0.312 19493 210 1 2 . 1 1 49 49 SER H H 49 8.187 8.187 8.648 -0.461 19493 211 1 2 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.464 0.213 19493 212 1 2 . 1 1 50 50 HIS H H 50 8.496 8.496 8.402 0.094 19493 213 1 2 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.509 -0.245 19493 214 1 2 . 1 1 51 51 LYS H H 51 8.287 8.287 7.697 0.590 19493 215 1 2 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.267 -0.167 19493 216 1 2 . 1 1 52 52 ILE H H 52 8.173 8.173 8.387 -0.214 19493 217 1 2 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.503 -0.219 19493 218 1 2 . 1 1 53 53 ALA H H 53 8.322 8.322 8.251 0.071 19493 219 1 2 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.142 0.130 19493 220 1 2 . 1 1 54 54 GLU H H 54 8.206 8.206 8.388 -0.182 19493 221 1 2 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.607 -0.338 19493 222 1 2 . 1 1 55 55 LYS H H 55 8.287 8.287 8.441 -0.154 19493 223 1 2 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.480 -0.372 19493 224 1 2 . 1 1 56 56 ILE H H 56 8.157 8.157 8.272 -0.115 19493 225 1 2 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.105 0.017 19493 226 1 2 . 1 1 57 57 ILE H H 57 8.192 8.192 8.223 -0.031 19493 227 1 2 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.543 0.097 19493 228 1 2 . 1 1 58 58 ASP H H 58 8.408 8.408 8.833 -0.425 19493 229 1 2 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.249 -0.031 19493 230 1 2 . 1 1 59 59 LYS H H 59 8.254 8.254 7.930 0.324 19493 231 1 2 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.654 -0.392 19493 232 1 2 . 1 1 60 60 ALA H H 60 8.183 8.183 8.288 -0.105 19493 233 1 2 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.660 -0.325 19493 234 1 2 . 1 1 61 61 LYS H H 61 8.175 8.175 8.322 -0.147 19493 235 1 2 . 1 1 62 62 THR HA H 62 4.374 4.374 4.436 -0.062 19493 236 1 2 . 1 1 62 62 THR H H 62 8.105 8.105 8.285 -0.180 19493 237 1 2 . 1 1 63 63 THR HA H 63 4.334 4.334 4.772 -0.438 19493 238 1 2 . 1 1 63 63 THR H H 63 8.068 8.068 8.208 -0.140 19493 239 1 3 . 1 1 2 2 LYS HA H 2 4.288 4.288 3.898 0.390 19493 240 1 3 . 1 1 2 2 LYS H H 2 8.518 8.518 8.523 -0.005 19493 241 1 3 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.314 0.073 19493 242 1 3 . 1 1 3 3 ALA H H 3 8.409 8.409 7.964 0.445 19493 243 1 3 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.946 -0.087 19493 244 1 3 . 1 1 4 4 CYS H H 4 8.191 8.191 7.401 0.790 19493 245 1 3 . 1 1 5 5 THR HA H 5 4.447 4.447 4.311 0.136 19493 246 1 3 . 1 1 5 5 THR H H 5 9.026 9.026 8.329 0.697 19493 247 1 3 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.053 0.187 19493 248 1 3 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.448 -1.245 19493 249 1 3 . 1 1 7 7 LEU H H 7 7.703 7.703 8.101 -0.398 19493 250 1 3 . 1 1 8 8 LEU HA H 8 3.822 3.822 3.991 -0.169 19493 251 1 3 . 1 1 8 8 LEU H H 8 9.450 9.450 8.926 0.524 19493 252 1 3 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.863 -0.144 19493 253 1 3 . 1 1 9 9 HIS H H 9 8.125 8.125 7.883 0.242 19493 254 1 3 . 1 1 10 10 ASP HA H 10 4.851 4.851 4.993 -0.142 19493 255 1 3 . 1 1 10 10 ASP H H 10 8.368 8.368 8.518 -0.150 19493 256 1 3 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.860 0.259 19493 257 1 3 . 1 1 11 11 CYS H H 11 8.035 8.035 8.337 -0.302 19493 258 1 3 . 1 1 12 12 SER HA H 12 4.698 4.698 4.053 0.645 19493 259 1 3 . 1 1 12 12 SER H H 12 8.785 8.785 8.281 0.504 19493 260 1 3 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.332 0.290 19493 261 1 3 . 1 1 13 13 HIS H H 13 8.595 8.595 8.592 0.003 19493 262 1 3 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.736 -0.061 19493 263 1 3 . 1 1 14 14 ASP H H 14 7.284 7.284 7.855 -0.571 19493 264 1 3 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.128 0.544 19493 265 1 3 . 1 1 15 15 ARG H H 15 9.017 9.017 8.487 0.530 19493 266 1 3 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.745 0.297 19493 267 1 3 . 1 1 16 16 HIS H H 16 8.529 8.529 8.078 0.451 19493 268 1 3 . 1 1 17 17 SER HA H 17 4.472 4.472 4.514 -0.042 19493 269 1 3 . 1 1 17 17 SER H H 17 7.481 7.481 8.100 -0.619 19493 270 1 3 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.432 0.620 19493 271 1 3 . 1 1 18 18 CYS H H 18 8.713 8.713 7.621 1.092 19493 272 1 3 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.636 -0.159 19493 273 1 3 . 1 1 19 19 CYS H H 19 8.935 8.935 8.388 0.547 19493 274 1 3 . 1 1 20 20 ARG HA H 20 4.162 4.162 5.362 -1.200 19493 275 1 3 . 1 1 20 20 ARG H H 20 8.186 8.186 8.536 -0.350 19493 276 1 3 . 1 1 21 21 GLY H H 21 7.686 7.686 8.211 -0.525 19493 277 1 3 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.574 -0.275 19493 278 1 3 . 1 1 22 22 ASP H H 22 8.447 8.447 8.494 -0.047 19493 279 1 3 . 1 1 23 23 MET HA H 23 4.354 4.354 4.420 -0.066 19493 280 1 3 . 1 1 23 23 MET H H 23 8.219 8.219 7.786 0.433 19493 281 1 3 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.589 0.153 19493 282 1 3 . 1 1 24 24 PHE H H 24 7.225 7.225 7.711 -0.486 19493 283 1 3 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.721 -0.630 19493 284 1 3 . 1 1 25 25 LYS H H 25 8.502 8.502 8.493 0.009 19493 285 1 3 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.796 0.261 19493 286 1 3 . 1 1 26 26 TYR H H 26 7.625 7.625 8.549 -0.924 19493 287 1 3 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.562 -0.105 19493 288 1 3 . 1 1 27 27 VAL H H 27 9.082 9.082 8.828 0.254 19493 289 1 3 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.414 -0.721 19493 290 1 3 . 1 1 28 28 CYS H H 28 8.824 8.824 8.722 0.102 19493 291 1 3 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.998 -0.065 19493 292 1 3 . 1 1 29 29 ASP H H 29 8.615 8.615 8.749 -0.134 19493 293 1 3 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.270 0.510 19493 294 1 3 . 1 1 30 30 CYS H H 30 8.562 8.562 8.661 -0.099 19493 295 1 3 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.872 -0.117 19493 296 1 3 . 1 1 31 31 PHE H H 31 9.083 9.083 8.442 0.641 19493 297 1 3 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.033 -0.095 19493 298 1 3 . 1 1 32 32 TYR H H 32 8.682 8.682 8.525 0.157 19493 299 1 3 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.542 -0.060 19493 300 1 3 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.297 0.003 19493 301 1 3 . 1 1 34 34 GLU H H 34 8.529 8.529 8.663 -0.134 19493 302 1 3 . 1 1 35 35 GLY H H 35 8.253 8.253 7.884 0.369 19493 303 1 3 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.232 -0.018 19493 304 1 3 . 1 1 36 36 GLU H H 36 8.174 8.174 8.381 -0.207 19493 305 1 3 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.791 -0.284 19493 306 1 3 . 1 1 37 37 ASP H H 37 8.339 8.339 8.632 -0.293 19493 307 1 3 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.469 -0.019 19493 308 1 3 . 1 1 38 38 LYS H H 38 7.963 7.963 7.720 0.243 19493 309 1 3 . 1 1 39 39 THR HA H 39 4.311 4.311 4.448 -0.137 19493 310 1 3 . 1 1 39 39 THR H H 39 7.944 7.944 7.957 -0.013 19493 311 1 3 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.533 -0.646 19493 312 1 3 . 1 1 40 40 GLU H H 40 8.409 8.409 8.500 -0.091 19493 313 1 3 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.120 -0.070 19493 314 1 3 . 1 1 41 41 VAL H H 41 8.380 8.380 8.518 -0.138 19493 315 1 3 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.374 0.380 19493 316 1 3 . 1 1 42 42 CYS H H 42 8.718 8.718 8.868 -0.150 19493 317 1 3 . 1 1 43 43 SER HA H 43 5.198 5.198 5.430 -0.232 19493 318 1 3 . 1 1 43 43 SER H H 43 8.833 8.833 9.115 -0.282 19493 319 1 3 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.520 -0.305 19493 320 1 3 . 1 1 44 44 CYS H H 44 7.931 7.931 8.759 -0.828 19493 321 1 3 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.814 -0.159 19493 322 1 3 . 1 1 45 45 GLN H H 45 9.842 9.842 9.166 0.676 19493 323 1 3 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.589 0.138 19493 324 1 3 . 1 1 46 46 GLN H H 46 8.887 8.887 8.661 0.226 19493 325 1 3 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.279 0.111 19493 326 1 3 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.457 -0.214 19493 327 1 3 . 1 1 48 48 LYS H H 48 8.376 8.376 7.956 0.420 19493 328 1 3 . 1 1 49 49 SER HA H 49 4.343 4.343 4.661 -0.318 19493 329 1 3 . 1 1 49 49 SER H H 49 8.187 8.187 8.564 -0.377 19493 330 1 3 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.330 0.347 19493 331 1 3 . 1 1 50 50 HIS H H 50 8.496 8.496 8.712 -0.216 19493 332 1 3 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.429 -0.165 19493 333 1 3 . 1 1 51 51 LYS H H 51 8.287 8.287 7.807 0.480 19493 334 1 3 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.296 -0.196 19493 335 1 3 . 1 1 52 52 ILE H H 52 8.173 8.173 8.391 -0.218 19493 336 1 3 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.548 -0.264 19493 337 1 3 . 1 1 53 53 ALA H H 53 8.322 8.322 8.205 0.117 19493 338 1 3 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.237 0.035 19493 339 1 3 . 1 1 54 54 GLU H H 54 8.206 8.206 8.368 -0.162 19493 340 1 3 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.474 -0.204 19493 341 1 3 . 1 1 55 55 LYS H H 55 8.287 8.287 8.390 -0.103 19493 342 1 3 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.275 -0.167 19493 343 1 3 . 1 1 56 56 ILE H H 56 8.157 8.157 8.439 -0.282 19493 344 1 3 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.457 -0.335 19493 345 1 3 . 1 1 57 57 ILE H H 57 8.192 8.192 8.121 0.071 19493 346 1 3 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.528 0.112 19493 347 1 3 . 1 1 58 58 ASP H H 58 8.408 8.408 8.361 0.047 19493 348 1 3 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.144 0.074 19493 349 1 3 . 1 1 59 59 LYS H H 59 8.254 8.254 8.382 -0.128 19493 350 1 3 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.496 -0.234 19493 351 1 3 . 1 1 60 60 ALA H H 60 8.183 8.183 8.256 -0.073 19493 352 1 3 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.357 -0.022 19493 353 1 3 . 1 1 61 61 LYS H H 61 8.175 8.175 8.446 -0.271 19493 354 1 3 . 1 1 62 62 THR HA H 62 4.374 4.374 4.296 0.078 19493 355 1 3 . 1 1 62 62 THR H H 62 8.105 8.105 7.832 0.273 19493 356 1 3 . 1 1 63 63 THR HA H 63 4.334 4.334 4.116 0.218 19493 357 1 3 . 1 1 63 63 THR H H 63 8.068 8.068 8.228 -0.160 19493 358 1 4 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.178 0.110 19493 359 1 4 . 1 1 2 2 LYS H H 2 8.518 8.518 8.481 0.037 19493 360 1 4 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.173 0.214 19493 361 1 4 . 1 1 3 3 ALA H H 3 8.409 8.409 8.015 0.394 19493 362 1 4 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.905 -0.046 19493 363 1 4 . 1 1 4 4 CYS H H 4 8.191 8.191 7.628 0.563 19493 364 1 4 . 1 1 5 5 THR HA H 5 4.447 4.447 4.582 -0.135 19493 365 1 4 . 1 1 5 5 THR H H 5 9.026 9.026 8.457 0.569 19493 366 1 4 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.427 -0.187 19493 367 1 4 . 1 1 7 7 LEU HA H 7 3.203 3.203 3.953 -0.750 19493 368 1 4 . 1 1 7 7 LEU H H 7 7.703 7.703 7.806 -0.103 19493 369 1 4 . 1 1 8 8 LEU HA H 8 3.822 3.822 3.998 -0.176 19493 370 1 4 . 1 1 8 8 LEU H H 8 9.450 9.450 8.722 0.728 19493 371 1 4 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.773 -0.054 19493 372 1 4 . 1 1 9 9 HIS H H 9 8.125 8.125 7.801 0.324 19493 373 1 4 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.241 -0.390 19493 374 1 4 . 1 1 10 10 ASP H H 10 8.368 8.368 8.605 -0.237 19493 375 1 4 . 1 1 11 11 CYS HA H 11 5.119 5.119 5.039 0.080 19493 376 1 4 . 1 1 11 11 CYS H H 11 8.035 8.035 8.426 -0.391 19493 377 1 4 . 1 1 12 12 SER HA H 12 4.698 4.698 4.091 0.607 19493 378 1 4 . 1 1 12 12 SER H H 12 8.785 8.785 8.303 0.482 19493 379 1 4 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.356 0.266 19493 380 1 4 . 1 1 13 13 HIS H H 13 8.595 8.595 8.363 0.232 19493 381 1 4 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.694 -0.019 19493 382 1 4 . 1 1 14 14 ASP H H 14 7.284 7.284 7.734 -0.450 19493 383 1 4 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.140 0.532 19493 384 1 4 . 1 1 15 15 ARG H H 15 9.017 9.017 8.782 0.235 19493 385 1 4 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.705 0.337 19493 386 1 4 . 1 1 16 16 HIS H H 16 8.529 8.529 8.100 0.429 19493 387 1 4 . 1 1 17 17 SER HA H 17 4.472 4.472 4.513 -0.041 19493 388 1 4 . 1 1 17 17 SER H H 17 7.481 7.481 7.980 -0.499 19493 389 1 4 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.484 0.568 19493 390 1 4 . 1 1 18 18 CYS H H 18 8.713 8.713 7.668 1.045 19493 391 1 4 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.636 -0.159 19493 392 1 4 . 1 1 19 19 CYS H H 19 8.935 8.935 8.617 0.318 19493 393 1 4 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.177 -0.015 19493 394 1 4 . 1 1 20 20 ARG H H 20 8.186 8.186 8.306 -0.120 19493 395 1 4 . 1 1 21 21 GLY H H 21 7.686 7.686 8.204 -0.518 19493 396 1 4 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.564 -0.265 19493 397 1 4 . 1 1 22 22 ASP H H 22 8.447 8.447 8.159 0.288 19493 398 1 4 . 1 1 23 23 MET HA H 23 4.354 4.354 4.610 -0.256 19493 399 1 4 . 1 1 23 23 MET H H 23 8.219 8.219 7.833 0.386 19493 400 1 4 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.669 0.073 19493 401 1 4 . 1 1 24 24 PHE H H 24 7.225 7.225 8.073 -0.848 19493 402 1 4 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.355 -0.264 19493 403 1 4 . 1 1 25 25 LYS H H 25 8.502 8.502 8.247 0.255 19493 404 1 4 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.647 0.410 19493 405 1 4 . 1 1 26 26 TYR H H 26 7.625 7.625 7.999 -0.374 19493 406 1 4 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.628 -0.171 19493 407 1 4 . 1 1 27 27 VAL H H 27 9.082 9.082 9.020 0.062 19493 408 1 4 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.437 -0.744 19493 409 1 4 . 1 1 28 28 CYS H H 28 8.824 8.824 8.587 0.237 19493 410 1 4 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.024 -0.091 19493 411 1 4 . 1 1 29 29 ASP H H 29 8.615 8.615 8.719 -0.104 19493 412 1 4 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.268 0.512 19493 413 1 4 . 1 1 30 30 CYS H H 30 8.562 8.562 8.669 -0.107 19493 414 1 4 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.827 -0.072 19493 415 1 4 . 1 1 31 31 PHE H H 31 9.083 9.083 8.506 0.577 19493 416 1 4 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.016 -0.078 19493 417 1 4 . 1 1 32 32 TYR H H 32 8.682 8.682 8.386 0.296 19493 418 1 4 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.582 -0.100 19493 419 1 4 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.202 0.098 19493 420 1 4 . 1 1 34 34 GLU H H 34 8.529 8.529 8.749 -0.220 19493 421 1 4 . 1 1 35 35 GLY H H 35 8.253 8.253 7.827 0.426 19493 422 1 4 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.171 0.043 19493 423 1 4 . 1 1 36 36 GLU H H 36 8.174 8.174 8.424 -0.250 19493 424 1 4 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.660 -0.153 19493 425 1 4 . 1 1 37 37 ASP H H 37 8.339 8.339 8.497 -0.158 19493 426 1 4 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.241 0.209 19493 427 1 4 . 1 1 38 38 LYS H H 38 7.963 7.963 8.067 -0.104 19493 428 1 4 . 1 1 39 39 THR HA H 39 4.311 4.311 4.563 -0.252 19493 429 1 4 . 1 1 39 39 THR H H 39 7.944 7.944 8.097 -0.153 19493 430 1 4 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.636 -0.749 19493 431 1 4 . 1 1 40 40 GLU H H 40 8.409 8.409 8.533 -0.124 19493 432 1 4 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.096 -0.046 19493 433 1 4 . 1 1 41 41 VAL H H 41 8.380 8.380 8.659 -0.279 19493 434 1 4 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.337 0.417 19493 435 1 4 . 1 1 42 42 CYS H H 42 8.718 8.718 8.893 -0.175 19493 436 1 4 . 1 1 43 43 SER HA H 43 5.198 5.198 5.362 -0.164 19493 437 1 4 . 1 1 43 43 SER H H 43 8.833 8.833 9.141 -0.308 19493 438 1 4 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.459 -0.244 19493 439 1 4 . 1 1 44 44 CYS H H 44 7.931 7.931 8.779 -0.848 19493 440 1 4 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.738 -0.083 19493 441 1 4 . 1 1 45 45 GLN H H 45 9.842 9.842 9.113 0.729 19493 442 1 4 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.767 -0.040 19493 443 1 4 . 1 1 46 46 GLN H H 46 8.887 8.887 8.665 0.222 19493 444 1 4 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.351 0.039 19493 445 1 4 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.369 -0.127 19493 446 1 4 . 1 1 48 48 LYS H H 48 8.376 8.376 8.036 0.340 19493 447 1 4 . 1 1 49 49 SER HA H 49 4.343 4.343 4.680 -0.337 19493 448 1 4 . 1 1 49 49 SER H H 49 8.187 8.187 8.787 -0.600 19493 449 1 4 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.345 0.332 19493 450 1 4 . 1 1 50 50 HIS H H 50 8.496 8.496 8.099 0.397 19493 451 1 4 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.133 0.131 19493 452 1 4 . 1 1 51 51 LYS H H 51 8.287 8.287 8.316 -0.029 19493 453 1 4 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.149 -0.049 19493 454 1 4 . 1 1 52 52 ILE H H 52 8.173 8.173 7.671 0.502 19493 455 1 4 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.240 0.044 19493 456 1 4 . 1 1 53 53 ALA H H 53 8.322 8.322 8.287 0.035 19493 457 1 4 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.534 -0.262 19493 458 1 4 . 1 1 54 54 GLU H H 54 8.206 8.206 8.441 -0.235 19493 459 1 4 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.653 -0.383 19493 460 1 4 . 1 1 55 55 LYS H H 55 8.287 8.287 8.364 -0.077 19493 461 1 4 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.601 -0.493 19493 462 1 4 . 1 1 56 56 ILE H H 56 8.157 8.157 8.351 -0.194 19493 463 1 4 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.414 -0.292 19493 464 1 4 . 1 1 57 57 ILE H H 57 8.192 8.192 8.207 -0.015 19493 465 1 4 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.812 -0.172 19493 466 1 4 . 1 1 58 58 ASP H H 58 8.408 8.408 8.416 -0.008 19493 467 1 4 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.205 0.013 19493 468 1 4 . 1 1 59 59 LYS H H 59 8.254 8.254 8.401 -0.147 19493 469 1 4 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.208 0.054 19493 470 1 4 . 1 1 60 60 ALA H H 60 8.183 8.183 8.287 -0.104 19493 471 1 4 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.219 0.116 19493 472 1 4 . 1 1 61 61 LYS H H 61 8.175 8.175 8.324 -0.149 19493 473 1 4 . 1 1 62 62 THR HA H 62 4.374 4.374 4.405 -0.031 19493 474 1 4 . 1 1 62 62 THR H H 62 8.105 8.105 8.262 -0.158 19493 475 1 4 . 1 1 63 63 THR HA H 63 4.334 4.334 4.302 0.032 19493 476 1 4 . 1 1 63 63 THR H H 63 8.068 8.068 7.873 0.195 19493 477 1 5 . 1 1 2 2 LYS HA H 2 4.288 4.288 3.901 0.387 19493 478 1 5 . 1 1 2 2 LYS H H 2 8.518 8.518 8.569 -0.051 19493 479 1 5 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.274 0.113 19493 480 1 5 . 1 1 3 3 ALA H H 3 8.409 8.409 8.012 0.397 19493 481 1 5 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.913 -0.054 19493 482 1 5 . 1 1 4 4 CYS H H 4 8.191 8.191 7.400 0.791 19493 483 1 5 . 1 1 5 5 THR HA H 5 4.447 4.447 4.289 0.158 19493 484 1 5 . 1 1 5 5 THR H H 5 9.026 9.026 8.259 0.767 19493 485 1 5 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.069 0.171 19493 486 1 5 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.463 -1.260 19493 487 1 5 . 1 1 7 7 LEU H H 7 7.703 7.703 8.225 -0.522 19493 488 1 5 . 1 1 8 8 LEU HA H 8 3.822 3.822 3.998 -0.176 19493 489 1 5 . 1 1 8 8 LEU H H 8 9.450 9.450 8.929 0.521 19493 490 1 5 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.814 -0.095 19493 491 1 5 . 1 1 9 9 HIS H H 9 8.125 8.125 7.869 0.257 19493 492 1 5 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.246 -0.395 19493 493 1 5 . 1 1 10 10 ASP H H 10 8.368 8.368 8.602 -0.234 19493 494 1 5 . 1 1 11 11 CYS HA H 11 5.119 5.119 5.021 0.098 19493 495 1 5 . 1 1 11 11 CYS H H 11 8.035 8.035 8.384 -0.349 19493 496 1 5 . 1 1 12 12 SER HA H 12 4.698 4.698 4.042 0.656 19493 497 1 5 . 1 1 12 12 SER H H 12 8.785 8.785 8.270 0.515 19493 498 1 5 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.422 0.200 19493 499 1 5 . 1 1 13 13 HIS H H 13 8.595 8.595 8.500 0.095 19493 500 1 5 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.888 -0.213 19493 501 1 5 . 1 1 14 14 ASP H H 14 7.284 7.284 7.975 -0.691 19493 502 1 5 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.409 0.263 19493 503 1 5 . 1 1 15 15 ARG H H 15 9.017 9.017 8.379 0.638 19493 504 1 5 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.630 0.412 19493 505 1 5 . 1 1 16 16 HIS H H 16 8.529 8.529 8.637 -0.108 19493 506 1 5 . 1 1 17 17 SER HA H 17 4.472 4.472 4.457 0.015 19493 507 1 5 . 1 1 17 17 SER H H 17 7.481 7.481 7.898 -0.417 19493 508 1 5 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.386 0.666 19493 509 1 5 . 1 1 18 18 CYS H H 18 8.713 8.713 7.498 1.215 19493 510 1 5 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.554 -0.077 19493 511 1 5 . 1 1 19 19 CYS H H 19 8.935 8.935 8.291 0.644 19493 512 1 5 . 1 1 20 20 ARG HA H 20 4.162 4.162 5.198 -1.036 19493 513 1 5 . 1 1 20 20 ARG H H 20 8.186 8.186 8.593 -0.407 19493 514 1 5 . 1 1 21 21 GLY H H 21 7.686 7.686 7.675 0.011 19493 515 1 5 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.374 -0.075 19493 516 1 5 . 1 1 22 22 ASP H H 22 8.447 8.447 7.928 0.519 19493 517 1 5 . 1 1 23 23 MET HA H 23 4.354 4.354 4.473 -0.119 19493 518 1 5 . 1 1 23 23 MET H H 23 8.219 8.219 7.707 0.512 19493 519 1 5 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.688 0.054 19493 520 1 5 . 1 1 24 24 PHE H H 24 7.225 7.225 7.148 0.077 19493 521 1 5 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.670 -0.579 19493 522 1 5 . 1 1 25 25 LYS H H 25 8.502 8.502 8.311 0.191 19493 523 1 5 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.764 0.293 19493 524 1 5 . 1 1 26 26 TYR H H 26 7.625 7.625 8.572 -0.947 19493 525 1 5 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.488 -0.031 19493 526 1 5 . 1 1 27 27 VAL H H 27 9.082 9.082 8.833 0.249 19493 527 1 5 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.366 -0.673 19493 528 1 5 . 1 1 28 28 CYS H H 28 8.824 8.824 8.838 -0.014 19493 529 1 5 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.004 -0.071 19493 530 1 5 . 1 1 29 29 ASP H H 29 8.615 8.615 8.704 -0.089 19493 531 1 5 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.211 0.569 19493 532 1 5 . 1 1 30 30 CYS H H 30 8.562 8.562 8.623 -0.061 19493 533 1 5 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.888 -0.133 19493 534 1 5 . 1 1 31 31 PHE H H 31 9.083 9.083 8.446 0.637 19493 535 1 5 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.926 0.012 19493 536 1 5 . 1 1 32 32 TYR H H 32 8.682 8.682 8.475 0.207 19493 537 1 5 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.616 -0.134 19493 538 1 5 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.109 0.191 19493 539 1 5 . 1 1 34 34 GLU H H 34 8.529 8.529 8.701 -0.172 19493 540 1 5 . 1 1 35 35 GLY H H 35 8.253 8.253 8.024 0.229 19493 541 1 5 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.514 -0.300 19493 542 1 5 . 1 1 36 36 GLU H H 36 8.174 8.174 8.028 0.146 19493 543 1 5 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.725 -0.218 19493 544 1 5 . 1 1 37 37 ASP H H 37 8.339 8.339 8.802 -0.463 19493 545 1 5 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.671 -0.221 19493 546 1 5 . 1 1 38 38 LYS H H 38 7.963 7.963 8.148 -0.185 19493 547 1 5 . 1 1 39 39 THR HA H 39 4.311 4.311 4.501 -0.190 19493 548 1 5 . 1 1 39 39 THR H H 39 7.944 7.944 7.568 0.376 19493 549 1 5 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.494 -0.607 19493 550 1 5 . 1 1 40 40 GLU H H 40 8.409 8.409 8.392 0.017 19493 551 1 5 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.120 -0.070 19493 552 1 5 . 1 1 41 41 VAL H H 41 8.380 8.380 8.607 -0.227 19493 553 1 5 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.345 0.409 19493 554 1 5 . 1 1 42 42 CYS H H 42 8.718 8.718 8.945 -0.227 19493 555 1 5 . 1 1 43 43 SER HA H 43 5.198 5.198 5.370 -0.172 19493 556 1 5 . 1 1 43 43 SER H H 43 8.833 8.833 9.009 -0.176 19493 557 1 5 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.484 -0.269 19493 558 1 5 . 1 1 44 44 CYS H H 44 7.931 7.931 8.753 -0.822 19493 559 1 5 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.807 -0.152 19493 560 1 5 . 1 1 45 45 GLN H H 45 9.842 9.842 9.236 0.606 19493 561 1 5 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.655 0.072 19493 562 1 5 . 1 1 46 46 GLN H H 46 8.887 8.887 8.592 0.295 19493 563 1 5 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.273 0.117 19493 564 1 5 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.030 0.212 19493 565 1 5 . 1 1 48 48 LYS H H 48 8.376 8.376 8.039 0.337 19493 566 1 5 . 1 1 49 49 SER HA H 49 4.343 4.343 4.542 -0.199 19493 567 1 5 . 1 1 49 49 SER H H 49 8.187 8.187 8.638 -0.451 19493 568 1 5 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.289 0.388 19493 569 1 5 . 1 1 50 50 HIS H H 50 8.496 8.496 8.099 0.397 19493 570 1 5 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.372 -0.108 19493 571 1 5 . 1 1 51 51 LYS H H 51 8.287 8.287 7.994 0.293 19493 572 1 5 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.105 -0.005 19493 573 1 5 . 1 1 52 52 ILE H H 52 8.173 8.173 8.424 -0.251 19493 574 1 5 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.525 -0.241 19493 575 1 5 . 1 1 53 53 ALA H H 53 8.322 8.322 8.646 -0.324 19493 576 1 5 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.450 -0.178 19493 577 1 5 . 1 1 54 54 GLU H H 54 8.206 8.206 8.283 -0.077 19493 578 1 5 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.315 -0.045 19493 579 1 5 . 1 1 55 55 LYS H H 55 8.287 8.287 8.391 -0.104 19493 580 1 5 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.276 -0.168 19493 581 1 5 . 1 1 56 56 ILE H H 56 8.157 8.157 8.261 -0.104 19493 582 1 5 . 1 1 57 57 ILE HA H 57 4.122 4.122 3.994 0.128 19493 583 1 5 . 1 1 57 57 ILE H H 57 8.192 8.192 8.323 -0.131 19493 584 1 5 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.905 -0.265 19493 585 1 5 . 1 1 58 58 ASP H H 58 8.408 8.408 8.494 -0.086 19493 586 1 5 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.476 -0.258 19493 587 1 5 . 1 1 59 59 LYS H H 59 8.254 8.254 8.404 -0.150 19493 588 1 5 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.406 -0.144 19493 589 1 5 . 1 1 60 60 ALA H H 60 8.183 8.183 8.345 -0.162 19493 590 1 5 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.513 -0.178 19493 591 1 5 . 1 1 61 61 LYS H H 61 8.175 8.175 8.438 -0.263 19493 592 1 5 . 1 1 62 62 THR HA H 62 4.374 4.374 4.480 -0.106 19493 593 1 5 . 1 1 62 62 THR H H 62 8.105 8.105 8.346 -0.241 19493 594 1 5 . 1 1 63 63 THR HA H 63 4.334 4.334 4.540 -0.206 19493 595 1 5 . 1 1 63 63 THR H H 63 8.068 8.068 8.346 -0.278 19493 596 1 6 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.167 0.121 19493 597 1 6 . 1 1 2 2 LYS H H 2 8.518 8.518 8.424 0.094 19493 598 1 6 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.178 0.209 19493 599 1 6 . 1 1 3 3 ALA H H 3 8.409 8.409 7.997 0.412 19493 600 1 6 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.059 -0.200 19493 601 1 6 . 1 1 4 4 CYS H H 4 8.191 8.191 7.485 0.706 19493 602 1 6 . 1 1 5 5 THR HA H 5 4.447 4.447 4.298 0.149 19493 603 1 6 . 1 1 5 5 THR H H 5 9.026 9.026 8.267 0.759 19493 604 1 6 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.085 0.155 19493 605 1 6 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.368 -1.165 19493 606 1 6 . 1 1 7 7 LEU H H 7 7.703 7.703 8.179 -0.476 19493 607 1 6 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.054 -0.232 19493 608 1 6 . 1 1 8 8 LEU H H 8 9.450 9.450 8.909 0.541 19493 609 1 6 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.784 -0.065 19493 610 1 6 . 1 1 9 9 HIS H H 9 8.125 8.125 7.827 0.298 19493 611 1 6 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.165 -0.314 19493 612 1 6 . 1 1 10 10 ASP H H 10 8.368 8.368 8.533 -0.165 19493 613 1 6 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.913 0.206 19493 614 1 6 . 1 1 11 11 CYS H H 11 8.035 8.035 8.394 -0.359 19493 615 1 6 . 1 1 12 12 SER HA H 12 4.698 4.698 4.063 0.635 19493 616 1 6 . 1 1 12 12 SER H H 12 8.785 8.785 8.297 0.488 19493 617 1 6 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.348 0.274 19493 618 1 6 . 1 1 13 13 HIS H H 13 8.595 8.595 8.267 0.328 19493 619 1 6 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.761 -0.086 19493 620 1 6 . 1 1 14 14 ASP H H 14 7.284 7.284 7.751 -0.467 19493 621 1 6 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.159 0.513 19493 622 1 6 . 1 1 15 15 ARG H H 15 9.017 9.017 8.561 0.456 19493 623 1 6 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.745 0.297 19493 624 1 6 . 1 1 16 16 HIS H H 16 8.529 8.529 8.198 0.331 19493 625 1 6 . 1 1 17 17 SER HA H 17 4.472 4.472 4.384 0.088 19493 626 1 6 . 1 1 17 17 SER H H 17 7.481 7.481 7.747 -0.266 19493 627 1 6 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.422 0.630 19493 628 1 6 . 1 1 18 18 CYS H H 18 8.713 8.713 7.542 1.171 19493 629 1 6 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.628 -0.151 19493 630 1 6 . 1 1 19 19 CYS H H 19 8.935 8.935 8.342 0.593 19493 631 1 6 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.592 -0.430 19493 632 1 6 . 1 1 20 20 ARG H H 20 8.186 8.186 8.447 -0.261 19493 633 1 6 . 1 1 21 21 GLY H H 21 7.686 7.686 8.180 -0.494 19493 634 1 6 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.588 -0.289 19493 635 1 6 . 1 1 22 22 ASP H H 22 8.447 8.447 8.348 0.099 19493 636 1 6 . 1 1 23 23 MET HA H 23 4.354 4.354 4.375 -0.021 19493 637 1 6 . 1 1 23 23 MET H H 23 8.219 8.219 7.842 0.377 19493 638 1 6 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.605 0.137 19493 639 1 6 . 1 1 24 24 PHE H H 24 7.225 7.225 7.640 -0.415 19493 640 1 6 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.724 -0.633 19493 641 1 6 . 1 1 25 25 LYS H H 25 8.502 8.502 8.532 -0.030 19493 642 1 6 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.763 0.294 19493 643 1 6 . 1 1 26 26 TYR H H 26 7.625 7.625 8.591 -0.966 19493 644 1 6 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.561 -0.104 19493 645 1 6 . 1 1 27 27 VAL H H 27 9.082 9.082 8.928 0.154 19493 646 1 6 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.416 -0.723 19493 647 1 6 . 1 1 28 28 CYS H H 28 8.824 8.824 8.873 -0.049 19493 648 1 6 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.018 -0.085 19493 649 1 6 . 1 1 29 29 ASP H H 29 8.615 8.615 8.693 -0.078 19493 650 1 6 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.230 0.550 19493 651 1 6 . 1 1 30 30 CYS H H 30 8.562 8.562 8.518 0.044 19493 652 1 6 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.893 -0.138 19493 653 1 6 . 1 1 31 31 PHE H H 31 9.083 9.083 8.420 0.663 19493 654 1 6 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.893 0.045 19493 655 1 6 . 1 1 32 32 TYR H H 32 8.682 8.682 8.432 0.250 19493 656 1 6 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.514 -0.032 19493 657 1 6 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.110 0.190 19493 658 1 6 . 1 1 34 34 GLU H H 34 8.529 8.529 8.623 -0.094 19493 659 1 6 . 1 1 35 35 GLY H H 35 8.253 8.253 8.018 0.235 19493 660 1 6 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.529 -0.315 19493 661 1 6 . 1 1 36 36 GLU H H 36 8.174 8.174 7.978 0.196 19493 662 1 6 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.762 -0.255 19493 663 1 6 . 1 1 37 37 ASP H H 37 8.339 8.339 8.688 -0.349 19493 664 1 6 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.510 -0.060 19493 665 1 6 . 1 1 38 38 LYS H H 38 7.963 7.963 7.926 0.037 19493 666 1 6 . 1 1 39 39 THR HA H 39 4.311 4.311 4.552 -0.241 19493 667 1 6 . 1 1 39 39 THR H H 39 7.944 7.944 7.684 0.260 19493 668 1 6 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.533 -0.646 19493 669 1 6 . 1 1 40 40 GLU H H 40 8.409 8.409 8.424 -0.015 19493 670 1 6 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.002 0.048 19493 671 1 6 . 1 1 41 41 VAL H H 41 8.380 8.380 8.532 -0.152 19493 672 1 6 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.404 0.350 19493 673 1 6 . 1 1 42 42 CYS H H 42 8.718 8.718 8.879 -0.161 19493 674 1 6 . 1 1 43 43 SER HA H 43 5.198 5.198 5.380 -0.182 19493 675 1 6 . 1 1 43 43 SER H H 43 8.833 8.833 9.069 -0.236 19493 676 1 6 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.472 -0.257 19493 677 1 6 . 1 1 44 44 CYS H H 44 7.931 7.931 8.762 -0.831 19493 678 1 6 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.826 -0.171 19493 679 1 6 . 1 1 45 45 GLN H H 45 9.842 9.842 9.278 0.564 19493 680 1 6 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.632 0.095 19493 681 1 6 . 1 1 46 46 GLN H H 46 8.887 8.887 8.621 0.266 19493 682 1 6 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.377 0.013 19493 683 1 6 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.470 -0.228 19493 684 1 6 . 1 1 48 48 LYS H H 48 8.376 8.376 7.831 0.545 19493 685 1 6 . 1 1 49 49 SER HA H 49 4.343 4.343 4.427 -0.084 19493 686 1 6 . 1 1 49 49 SER H H 49 8.187 8.187 8.673 -0.486 19493 687 1 6 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.361 0.316 19493 688 1 6 . 1 1 50 50 HIS H H 50 8.496 8.496 8.739 -0.243 19493 689 1 6 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.173 0.091 19493 690 1 6 . 1 1 51 51 LYS H H 51 8.287 8.287 7.870 0.417 19493 691 1 6 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.020 0.080 19493 692 1 6 . 1 1 52 52 ILE H H 52 8.173 8.173 8.272 -0.099 19493 693 1 6 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.502 -0.218 19493 694 1 6 . 1 1 53 53 ALA H H 53 8.322 8.322 8.097 0.225 19493 695 1 6 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.171 0.101 19493 696 1 6 . 1 1 54 54 GLU H H 54 8.206 8.206 8.422 -0.216 19493 697 1 6 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.543 -0.273 19493 698 1 6 . 1 1 55 55 LYS H H 55 8.287 8.287 8.375 -0.088 19493 699 1 6 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.240 -0.132 19493 700 1 6 . 1 1 56 56 ILE H H 56 8.157 8.157 8.457 -0.300 19493 701 1 6 . 1 1 57 57 ILE HA H 57 4.122 4.122 3.929 0.193 19493 702 1 6 . 1 1 57 57 ILE H H 57 8.192 8.192 8.433 -0.241 19493 703 1 6 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.824 -0.184 19493 704 1 6 . 1 1 58 58 ASP H H 58 8.408 8.408 8.357 0.051 19493 705 1 6 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.262 -0.044 19493 706 1 6 . 1 1 59 59 LYS H H 59 8.254 8.254 8.338 -0.084 19493 707 1 6 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.474 -0.212 19493 708 1 6 . 1 1 60 60 ALA H H 60 8.183 8.183 8.240 -0.057 19493 709 1 6 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.561 -0.226 19493 710 1 6 . 1 1 61 61 LYS H H 61 8.175 8.175 8.256 -0.081 19493 711 1 6 . 1 1 62 62 THR HA H 62 4.374 4.374 4.290 0.084 19493 712 1 6 . 1 1 62 62 THR H H 62 8.105 8.105 8.347 -0.242 19493 713 1 6 . 1 1 63 63 THR HA H 63 4.334 4.334 4.551 -0.217 19493 714 1 6 . 1 1 63 63 THR H H 63 8.068 8.068 8.203 -0.135 19493 715 1 7 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.558 -0.270 19493 716 1 7 . 1 1 2 2 LYS H H 2 8.518 8.518 8.482 0.036 19493 717 1 7 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.194 0.193 19493 718 1 7 . 1 1 3 3 ALA H H 3 8.409 8.409 8.464 -0.055 19493 719 1 7 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.049 -0.190 19493 720 1 7 . 1 1 4 4 CYS H H 4 8.191 8.191 7.692 0.499 19493 721 1 7 . 1 1 5 5 THR HA H 5 4.447 4.447 4.337 0.110 19493 722 1 7 . 1 1 5 5 THR H H 5 9.026 9.026 8.212 0.814 19493 723 1 7 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.058 0.182 19493 724 1 7 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.462 -1.259 19493 725 1 7 . 1 1 7 7 LEU H H 7 7.703 7.703 8.245 -0.542 19493 726 1 7 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.046 -0.224 19493 727 1 7 . 1 1 8 8 LEU H H 8 9.450 9.450 9.108 0.342 19493 728 1 7 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.799 -0.080 19493 729 1 7 . 1 1 9 9 HIS H H 9 8.125 8.125 7.842 0.283 19493 730 1 7 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.080 -0.229 19493 731 1 7 . 1 1 10 10 ASP H H 10 8.368 8.368 8.537 -0.169 19493 732 1 7 . 1 1 11 11 CYS HA H 11 5.119 5.119 5.022 0.097 19493 733 1 7 . 1 1 11 11 CYS H H 11 8.035 8.035 8.259 -0.224 19493 734 1 7 . 1 1 12 12 SER HA H 12 4.698 4.698 3.976 0.722 19493 735 1 7 . 1 1 12 12 SER H H 12 8.785 8.785 8.130 0.655 19493 736 1 7 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.417 0.205 19493 737 1 7 . 1 1 13 13 HIS H H 13 8.595 8.595 8.486 0.109 19493 738 1 7 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.760 -0.085 19493 739 1 7 . 1 1 14 14 ASP H H 14 7.284 7.284 7.682 -0.398 19493 740 1 7 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.152 0.520 19493 741 1 7 . 1 1 15 15 ARG H H 15 9.017 9.017 8.508 0.509 19493 742 1 7 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.843 0.199 19493 743 1 7 . 1 1 16 16 HIS H H 16 8.529 8.529 8.208 0.321 19493 744 1 7 . 1 1 17 17 SER HA H 17 4.472 4.472 4.554 -0.082 19493 745 1 7 . 1 1 17 17 SER H H 17 7.481 7.481 7.671 -0.190 19493 746 1 7 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.465 0.587 19493 747 1 7 . 1 1 18 18 CYS H H 18 8.713 8.713 7.686 1.027 19493 748 1 7 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.635 -0.158 19493 749 1 7 . 1 1 19 19 CYS H H 19 8.935 8.935 8.248 0.687 19493 750 1 7 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.610 -0.448 19493 751 1 7 . 1 1 20 20 ARG H H 20 8.186 8.186 8.591 -0.405 19493 752 1 7 . 1 1 21 21 GLY H H 21 7.686 7.686 8.124 -0.438 19493 753 1 7 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.562 -0.263 19493 754 1 7 . 1 1 22 22 ASP H H 22 8.447 8.447 8.296 0.151 19493 755 1 7 . 1 1 23 23 MET HA H 23 4.354 4.354 4.617 -0.263 19493 756 1 7 . 1 1 23 23 MET H H 23 8.219 8.219 7.873 0.346 19493 757 1 7 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.547 0.195 19493 758 1 7 . 1 1 24 24 PHE H H 24 7.225 7.225 7.883 -0.658 19493 759 1 7 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.718 -0.627 19493 760 1 7 . 1 1 25 25 LYS H H 25 8.502 8.502 8.206 0.296 19493 761 1 7 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.763 0.294 19493 762 1 7 . 1 1 26 26 TYR H H 26 7.625 7.625 8.568 -0.943 19493 763 1 7 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.543 -0.086 19493 764 1 7 . 1 1 27 27 VAL H H 27 9.082 9.082 8.708 0.374 19493 765 1 7 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.334 -0.641 19493 766 1 7 . 1 1 28 28 CYS H H 28 8.824 8.824 8.769 0.055 19493 767 1 7 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.895 0.038 19493 768 1 7 . 1 1 29 29 ASP H H 29 8.615 8.615 8.887 -0.272 19493 769 1 7 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.188 0.592 19493 770 1 7 . 1 1 30 30 CYS H H 30 8.562 8.562 8.645 -0.083 19493 771 1 7 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.850 -0.095 19493 772 1 7 . 1 1 31 31 PHE H H 31 9.083 9.083 8.379 0.704 19493 773 1 7 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.012 -0.074 19493 774 1 7 . 1 1 32 32 TYR H H 32 8.682 8.682 8.491 0.191 19493 775 1 7 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.610 -0.128 19493 776 1 7 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.108 0.192 19493 777 1 7 . 1 1 34 34 GLU H H 34 8.529 8.529 8.662 -0.133 19493 778 1 7 . 1 1 35 35 GLY H H 35 8.253 8.253 7.890 0.363 19493 779 1 7 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.317 -0.103 19493 780 1 7 . 1 1 36 36 GLU H H 36 8.174 8.174 8.257 -0.083 19493 781 1 7 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.690 -0.183 19493 782 1 7 . 1 1 37 37 ASP H H 37 8.339 8.339 8.509 -0.170 19493 783 1 7 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.456 -0.006 19493 784 1 7 . 1 1 38 38 LYS H H 38 7.963 7.963 7.800 0.163 19493 785 1 7 . 1 1 39 39 THR HA H 39 4.311 4.311 4.294 0.017 19493 786 1 7 . 1 1 39 39 THR H H 39 7.944 7.944 7.912 0.032 19493 787 1 7 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.356 -0.469 19493 788 1 7 . 1 1 40 40 GLU H H 40 8.409 8.409 8.278 0.131 19493 789 1 7 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.075 -0.025 19493 790 1 7 . 1 1 41 41 VAL H H 41 8.380 8.380 8.670 -0.290 19493 791 1 7 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.281 0.473 19493 792 1 7 . 1 1 42 42 CYS H H 42 8.718 8.718 8.769 -0.051 19493 793 1 7 . 1 1 43 43 SER HA H 43 5.198 5.198 5.309 -0.111 19493 794 1 7 . 1 1 43 43 SER H H 43 8.833 8.833 9.033 -0.200 19493 795 1 7 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.480 -0.265 19493 796 1 7 . 1 1 44 44 CYS H H 44 7.931 7.931 8.896 -0.965 19493 797 1 7 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.846 -0.191 19493 798 1 7 . 1 1 45 45 GLN H H 45 9.842 9.842 9.290 0.552 19493 799 1 7 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.782 -0.055 19493 800 1 7 . 1 1 46 46 GLN H H 46 8.887 8.887 8.789 0.098 19493 801 1 7 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.289 0.101 19493 802 1 7 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.518 -0.276 19493 803 1 7 . 1 1 48 48 LYS H H 48 8.376 8.376 7.914 0.462 19493 804 1 7 . 1 1 49 49 SER HA H 49 4.343 4.343 4.777 -0.434 19493 805 1 7 . 1 1 49 49 SER H H 49 8.187 8.187 8.309 -0.122 19493 806 1 7 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.353 0.324 19493 807 1 7 . 1 1 50 50 HIS H H 50 8.496 8.496 8.254 0.242 19493 808 1 7 . 1 1 51 51 LYS HA H 51 4.264 4.264 3.817 0.447 19493 809 1 7 . 1 1 51 51 LYS H H 51 8.287 8.287 7.504 0.783 19493 810 1 7 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.087 0.013 19493 811 1 7 . 1 1 52 52 ILE H H 52 8.173 8.173 7.654 0.519 19493 812 1 7 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.374 -0.090 19493 813 1 7 . 1 1 53 53 ALA H H 53 8.322 8.322 8.268 0.054 19493 814 1 7 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.478 -0.206 19493 815 1 7 . 1 1 54 54 GLU H H 54 8.206 8.206 8.371 -0.165 19493 816 1 7 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.188 0.082 19493 817 1 7 . 1 1 55 55 LYS H H 55 8.287 8.287 8.252 0.035 19493 818 1 7 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.187 -0.079 19493 819 1 7 . 1 1 56 56 ILE H H 56 8.157 8.157 8.198 -0.041 19493 820 1 7 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.051 0.071 19493 821 1 7 . 1 1 57 57 ILE H H 57 8.192 8.192 8.400 -0.208 19493 822 1 7 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.451 0.189 19493 823 1 7 . 1 1 58 58 ASP H H 58 8.408 8.408 8.698 -0.290 19493 824 1 7 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.119 0.099 19493 825 1 7 . 1 1 59 59 LYS H H 59 8.254 8.254 7.871 0.383 19493 826 1 7 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.264 -0.002 19493 827 1 7 . 1 1 60 60 ALA H H 60 8.183 8.183 8.746 -0.563 19493 828 1 7 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.487 -0.152 19493 829 1 7 . 1 1 61 61 LYS H H 61 8.175 8.175 7.888 0.287 19493 830 1 7 . 1 1 62 62 THR HA H 62 4.374 4.374 4.346 0.028 19493 831 1 7 . 1 1 62 62 THR H H 62 8.105 8.105 8.245 -0.140 19493 832 1 7 . 1 1 63 63 THR HA H 63 4.334 4.334 4.197 0.137 19493 833 1 7 . 1 1 63 63 THR H H 63 8.068 8.068 8.328 -0.260 19493 834 1 8 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.357 -0.069 19493 835 1 8 . 1 1 2 2 LYS H H 2 8.518 8.518 8.052 0.466 19493 836 1 8 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.507 -0.120 19493 837 1 8 . 1 1 3 3 ALA H H 3 8.409 8.409 8.434 -0.025 19493 838 1 8 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.976 -0.117 19493 839 1 8 . 1 1 4 4 CYS H H 4 8.191 8.191 7.855 0.336 19493 840 1 8 . 1 1 5 5 THR HA H 5 4.447 4.447 4.343 0.104 19493 841 1 8 . 1 1 5 5 THR H H 5 9.026 9.026 8.252 0.774 19493 842 1 8 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.056 0.184 19493 843 1 8 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.416 -1.213 19493 844 1 8 . 1 1 7 7 LEU H H 7 7.703 7.703 8.232 -0.529 19493 845 1 8 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.045 -0.223 19493 846 1 8 . 1 1 8 8 LEU H H 8 9.450 9.450 8.930 0.520 19493 847 1 8 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.847 -0.128 19493 848 1 8 . 1 1 9 9 HIS H H 9 8.125 8.125 7.866 0.259 19493 849 1 8 . 1 1 10 10 ASP HA H 10 4.851 4.851 4.981 -0.130 19493 850 1 8 . 1 1 10 10 ASP H H 10 8.368 8.368 8.474 -0.106 19493 851 1 8 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.849 0.270 19493 852 1 8 . 1 1 11 11 CYS H H 11 8.035 8.035 8.268 -0.233 19493 853 1 8 . 1 1 12 12 SER HA H 12 4.698 4.698 4.071 0.627 19493 854 1 8 . 1 1 12 12 SER H H 12 8.785 8.785 8.164 0.621 19493 855 1 8 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.318 0.304 19493 856 1 8 . 1 1 13 13 HIS H H 13 8.595 8.595 8.293 0.302 19493 857 1 8 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.766 -0.091 19493 858 1 8 . 1 1 14 14 ASP H H 14 7.284 7.284 7.664 -0.380 19493 859 1 8 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.234 0.438 19493 860 1 8 . 1 1 15 15 ARG H H 15 9.017 9.017 8.667 0.350 19493 861 1 8 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.750 0.292 19493 862 1 8 . 1 1 16 16 HIS H H 16 8.529 8.529 8.242 0.287 19493 863 1 8 . 1 1 17 17 SER HA H 17 4.472 4.472 4.432 0.040 19493 864 1 8 . 1 1 17 17 SER H H 17 7.481 7.481 7.518 -0.037 19493 865 1 8 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.375 0.677 19493 866 1 8 . 1 1 18 18 CYS H H 18 8.713 8.713 7.632 1.081 19493 867 1 8 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.598 -0.121 19493 868 1 8 . 1 1 19 19 CYS H H 19 8.935 8.935 8.290 0.645 19493 869 1 8 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.578 -0.416 19493 870 1 8 . 1 1 20 20 ARG H H 20 8.186 8.186 8.567 -0.381 19493 871 1 8 . 1 1 21 21 GLY H H 21 7.686 7.686 8.086 -0.400 19493 872 1 8 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.494 -0.195 19493 873 1 8 . 1 1 22 22 ASP H H 22 8.447 8.447 8.625 -0.178 19493 874 1 8 . 1 1 23 23 MET HA H 23 4.354 4.354 4.449 -0.095 19493 875 1 8 . 1 1 23 23 MET H H 23 8.219 8.219 7.863 0.356 19493 876 1 8 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.540 0.202 19493 877 1 8 . 1 1 24 24 PHE H H 24 7.225 7.225 7.774 -0.549 19493 878 1 8 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.759 -0.668 19493 879 1 8 . 1 1 25 25 LYS H H 25 8.502 8.502 8.429 0.073 19493 880 1 8 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.794 0.263 19493 881 1 8 . 1 1 26 26 TYR H H 26 7.625 7.625 8.621 -0.996 19493 882 1 8 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.538 -0.081 19493 883 1 8 . 1 1 27 27 VAL H H 27 9.082 9.082 8.900 0.182 19493 884 1 8 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.410 -0.717 19493 885 1 8 . 1 1 28 28 CYS H H 28 8.824 8.824 8.889 -0.065 19493 886 1 8 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.030 -0.097 19493 887 1 8 . 1 1 29 29 ASP H H 29 8.615 8.615 8.713 -0.098 19493 888 1 8 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.337 0.443 19493 889 1 8 . 1 1 30 30 CYS H H 30 8.562 8.562 8.701 -0.140 19493 890 1 8 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.794 -0.039 19493 891 1 8 . 1 1 31 31 PHE H H 31 9.083 9.083 8.489 0.594 19493 892 1 8 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.893 0.045 19493 893 1 8 . 1 1 32 32 TYR H H 32 8.682 8.682 8.348 0.334 19493 894 1 8 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.577 -0.095 19493 895 1 8 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.115 0.185 19493 896 1 8 . 1 1 34 34 GLU H H 34 8.529 8.529 8.614 -0.085 19493 897 1 8 . 1 1 35 35 GLY H H 35 8.253 8.253 8.088 0.165 19493 898 1 8 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.506 -0.292 19493 899 1 8 . 1 1 36 36 GLU H H 36 8.174 8.174 7.879 0.295 19493 900 1 8 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.639 -0.132 19493 901 1 8 . 1 1 37 37 ASP H H 37 8.339 8.339 8.780 -0.441 19493 902 1 8 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.577 -0.127 19493 903 1 8 . 1 1 38 38 LYS H H 38 7.963 7.963 7.909 0.054 19493 904 1 8 . 1 1 39 39 THR HA H 39 4.311 4.311 4.490 -0.179 19493 905 1 8 . 1 1 39 39 THR H H 39 7.944 7.944 7.565 0.379 19493 906 1 8 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.559 -0.672 19493 907 1 8 . 1 1 40 40 GLU H H 40 8.409 8.409 8.507 -0.098 19493 908 1 8 . 1 1 41 41 VAL HA H 41 4.050 4.050 3.995 0.055 19493 909 1 8 . 1 1 41 41 VAL H H 41 8.380 8.380 8.547 -0.167 19493 910 1 8 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.409 0.345 19493 911 1 8 . 1 1 42 42 CYS H H 42 8.718 8.718 8.882 -0.164 19493 912 1 8 . 1 1 43 43 SER HA H 43 5.198 5.198 5.385 -0.187 19493 913 1 8 . 1 1 43 43 SER H H 43 8.833 8.833 9.149 -0.316 19493 914 1 8 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.483 -0.268 19493 915 1 8 . 1 1 44 44 CYS H H 44 7.931 7.931 8.790 -0.859 19493 916 1 8 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.797 -0.142 19493 917 1 8 . 1 1 45 45 GLN H H 45 9.842 9.842 9.272 0.570 19493 918 1 8 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.653 0.074 19493 919 1 8 . 1 1 46 46 GLN H H 46 8.887 8.887 8.599 0.288 19493 920 1 8 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.272 0.118 19493 921 1 8 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.011 0.231 19493 922 1 8 . 1 1 48 48 LYS H H 48 8.376 8.376 8.034 0.342 19493 923 1 8 . 1 1 49 49 SER HA H 49 4.343 4.343 4.446 -0.103 19493 924 1 8 . 1 1 49 49 SER H H 49 8.187 8.187 8.090 0.097 19493 925 1 8 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.803 -0.126 19493 926 1 8 . 1 1 50 50 HIS H H 50 8.496 8.496 8.566 -0.070 19493 927 1 8 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.601 -0.337 19493 928 1 8 . 1 1 51 51 LYS H H 51 8.287 8.287 8.210 0.077 19493 929 1 8 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.177 -0.077 19493 930 1 8 . 1 1 52 52 ILE H H 52 8.173 8.173 8.293 -0.120 19493 931 1 8 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.308 -0.024 19493 932 1 8 . 1 1 53 53 ALA H H 53 8.322 8.322 8.519 -0.197 19493 933 1 8 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.488 -0.216 19493 934 1 8 . 1 1 54 54 GLU H H 54 8.206 8.206 8.168 0.039 19493 935 1 8 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.262 0.008 19493 936 1 8 . 1 1 55 55 LYS H H 55 8.287 8.287 8.367 -0.080 19493 937 1 8 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.164 -0.056 19493 938 1 8 . 1 1 56 56 ILE H H 56 8.157 8.157 8.230 -0.073 19493 939 1 8 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.141 -0.019 19493 940 1 8 . 1 1 57 57 ILE H H 57 8.192 8.192 8.311 -0.119 19493 941 1 8 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.494 0.146 19493 942 1 8 . 1 1 58 58 ASP H H 58 8.408 8.408 8.458 -0.050 19493 943 1 8 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.115 0.103 19493 944 1 8 . 1 1 59 59 LYS H H 59 8.254 8.254 8.108 0.146 19493 945 1 8 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.554 -0.292 19493 946 1 8 . 1 1 60 60 ALA H H 60 8.183 8.183 8.293 -0.110 19493 947 1 8 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.251 0.084 19493 948 1 8 . 1 1 61 61 LYS H H 61 8.175 8.175 8.426 -0.251 19493 949 1 8 . 1 1 62 62 THR HA H 62 4.374 4.374 4.330 0.044 19493 950 1 8 . 1 1 62 62 THR H H 62 8.105 8.105 8.452 -0.347 19493 951 1 8 . 1 1 63 63 THR HA H 63 4.334 4.334 4.249 0.085 19493 952 1 8 . 1 1 63 63 THR H H 63 8.068 8.068 7.784 0.284 19493 953 1 9 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.332 -0.044 19493 954 1 9 . 1 1 2 2 LYS H H 2 8.518 8.518 8.338 0.180 19493 955 1 9 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.207 0.180 19493 956 1 9 . 1 1 3 3 ALA H H 3 8.409 8.409 8.428 -0.019 19493 957 1 9 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.111 -0.252 19493 958 1 9 . 1 1 4 4 CYS H H 4 8.191 8.191 7.585 0.606 19493 959 1 9 . 1 1 5 5 THR HA H 5 4.447 4.447 4.428 0.019 19493 960 1 9 . 1 1 5 5 THR H H 5 9.026 9.026 8.450 0.576 19493 961 1 9 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.083 0.157 19493 962 1 9 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.326 -1.123 19493 963 1 9 . 1 1 7 7 LEU H H 7 7.703 7.703 8.132 -0.429 19493 964 1 9 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.215 -0.393 19493 965 1 9 . 1 1 8 8 LEU H H 8 9.450 9.450 8.887 0.563 19493 966 1 9 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.820 -0.101 19493 967 1 9 . 1 1 9 9 HIS H H 9 8.125 8.125 7.817 0.308 19493 968 1 9 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.203 -0.352 19493 969 1 9 . 1 1 10 10 ASP H H 10 8.368 8.368 8.519 -0.151 19493 970 1 9 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.516 0.603 19493 971 1 9 . 1 1 11 11 CYS H H 11 8.035 8.035 8.260 -0.225 19493 972 1 9 . 1 1 12 12 SER HA H 12 4.698 4.698 3.964 0.734 19493 973 1 9 . 1 1 12 12 SER H H 12 8.785 8.785 8.180 0.605 19493 974 1 9 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.404 0.218 19493 975 1 9 . 1 1 13 13 HIS H H 13 8.595 8.595 7.942 0.653 19493 976 1 9 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.720 -0.045 19493 977 1 9 . 1 1 14 14 ASP H H 14 7.284 7.284 6.914 0.370 19493 978 1 9 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.126 0.546 19493 979 1 9 . 1 1 15 15 ARG H H 15 9.017 9.017 8.819 0.198 19493 980 1 9 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.613 0.429 19493 981 1 9 . 1 1 16 16 HIS H H 16 8.529 8.529 8.163 0.366 19493 982 1 9 . 1 1 17 17 SER HA H 17 4.472 4.472 4.480 -0.008 19493 983 1 9 . 1 1 17 17 SER H H 17 7.481 7.481 7.894 -0.413 19493 984 1 9 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.436 0.616 19493 985 1 9 . 1 1 18 18 CYS H H 18 8.713 8.713 7.480 1.233 19493 986 1 9 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.558 -0.081 19493 987 1 9 . 1 1 19 19 CYS H H 19 8.935 8.935 8.342 0.593 19493 988 1 9 . 1 1 20 20 ARG HA H 20 4.162 4.162 5.229 -1.067 19493 989 1 9 . 1 1 20 20 ARG H H 20 8.186 8.186 8.564 -0.378 19493 990 1 9 . 1 1 21 21 GLY H H 21 7.686 7.686 8.145 -0.459 19493 991 1 9 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.527 -0.228 19493 992 1 9 . 1 1 22 22 ASP H H 22 8.447 8.447 8.467 -0.020 19493 993 1 9 . 1 1 23 23 MET HA H 23 4.354 4.354 4.367 -0.013 19493 994 1 9 . 1 1 23 23 MET H H 23 8.219 8.219 7.804 0.415 19493 995 1 9 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.566 0.176 19493 996 1 9 . 1 1 24 24 PHE H H 24 7.225 7.225 7.686 -0.461 19493 997 1 9 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.716 -0.625 19493 998 1 9 . 1 1 25 25 LYS H H 25 8.502 8.502 8.452 0.050 19493 999 1 9 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.769 0.288 19493 1000 1 9 . 1 1 26 26 TYR H H 26 7.625 7.625 8.548 -0.923 19493 1001 1 9 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.607 -0.150 19493 1002 1 9 . 1 1 27 27 VAL H H 27 9.082 9.082 8.821 0.261 19493 1003 1 9 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.396 -0.703 19493 1004 1 9 . 1 1 28 28 CYS H H 28 8.824 8.824 9.007 -0.183 19493 1005 1 9 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.973 -0.040 19493 1006 1 9 . 1 1 29 29 ASP H H 29 8.615 8.615 8.694 -0.079 19493 1007 1 9 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.196 0.584 19493 1008 1 9 . 1 1 30 30 CYS H H 30 8.562 8.562 8.475 0.087 19493 1009 1 9 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.996 -0.241 19493 1010 1 9 . 1 1 31 31 PHE H H 31 9.083 9.083 8.384 0.699 19493 1011 1 9 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.168 -0.230 19493 1012 1 9 . 1 1 32 32 TYR H H 32 8.682 8.682 8.594 0.088 19493 1013 1 9 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.628 -0.146 19493 1014 1 9 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.139 0.161 19493 1015 1 9 . 1 1 34 34 GLU H H 34 8.529 8.529 8.640 -0.112 19493 1016 1 9 . 1 1 35 35 GLY H H 35 8.253 8.253 7.769 0.484 19493 1017 1 9 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.312 -0.098 19493 1018 1 9 . 1 1 36 36 GLU H H 36 8.174 8.174 8.325 -0.151 19493 1019 1 9 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.846 -0.339 19493 1020 1 9 . 1 1 37 37 ASP H H 37 8.339 8.339 8.753 -0.414 19493 1021 1 9 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.434 0.016 19493 1022 1 9 . 1 1 38 38 LYS H H 38 7.963 7.963 7.755 0.208 19493 1023 1 9 . 1 1 39 39 THR HA H 39 4.311 4.311 4.376 -0.065 19493 1024 1 9 . 1 1 39 39 THR H H 39 7.944 7.944 8.078 -0.134 19493 1025 1 9 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.493 -0.606 19493 1026 1 9 . 1 1 40 40 GLU H H 40 8.409 8.409 8.371 0.038 19493 1027 1 9 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.035 0.015 19493 1028 1 9 . 1 1 41 41 VAL H H 41 8.380 8.380 8.715 -0.335 19493 1029 1 9 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.376 0.378 19493 1030 1 9 . 1 1 42 42 CYS H H 42 8.718 8.718 8.790 -0.072 19493 1031 1 9 . 1 1 43 43 SER HA H 43 5.198 5.198 5.282 -0.084 19493 1032 1 9 . 1 1 43 43 SER H H 43 8.833 8.833 8.927 -0.094 19493 1033 1 9 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.480 -0.265 19493 1034 1 9 . 1 1 44 44 CYS H H 44 7.931 7.931 8.681 -0.750 19493 1035 1 9 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.854 -0.199 19493 1036 1 9 . 1 1 45 45 GLN H H 45 9.842 9.842 9.176 0.666 19493 1037 1 9 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.576 0.151 19493 1038 1 9 . 1 1 46 46 GLN H H 46 8.887 8.887 8.660 0.227 19493 1039 1 9 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.315 0.075 19493 1040 1 9 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.130 0.112 19493 1041 1 9 . 1 1 48 48 LYS H H 48 8.376 8.376 8.041 0.335 19493 1042 1 9 . 1 1 49 49 SER HA H 49 4.343 4.343 4.851 -0.508 19493 1043 1 9 . 1 1 49 49 SER H H 49 8.187 8.187 7.921 0.266 19493 1044 1 9 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.462 0.215 19493 1045 1 9 . 1 1 50 50 HIS H H 50 8.496 8.496 8.594 -0.098 19493 1046 1 9 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.519 -0.255 19493 1047 1 9 . 1 1 51 51 LYS H H 51 8.287 8.287 8.080 0.207 19493 1048 1 9 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.424 -0.324 19493 1049 1 9 . 1 1 52 52 ILE H H 52 8.173 8.173 8.629 -0.456 19493 1050 1 9 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.370 -0.086 19493 1051 1 9 . 1 1 53 53 ALA H H 53 8.322 8.322 8.301 0.021 19493 1052 1 9 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.368 -0.096 19493 1053 1 9 . 1 1 54 54 GLU H H 54 8.206 8.206 8.542 -0.336 19493 1054 1 9 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.577 -0.307 19493 1055 1 9 . 1 1 55 55 LYS H H 55 8.287 8.287 8.244 0.043 19493 1056 1 9 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.425 -0.317 19493 1057 1 9 . 1 1 56 56 ILE H H 56 8.157 8.157 8.232 -0.075 19493 1058 1 9 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.214 -0.092 19493 1059 1 9 . 1 1 57 57 ILE H H 57 8.192 8.192 8.495 -0.303 19493 1060 1 9 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.700 -0.060 19493 1061 1 9 . 1 1 58 58 ASP H H 58 8.408 8.408 8.106 0.302 19493 1062 1 9 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.617 -0.399 19493 1063 1 9 . 1 1 59 59 LYS H H 59 8.254 8.254 8.622 -0.368 19493 1064 1 9 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.386 -0.124 19493 1065 1 9 . 1 1 60 60 ALA H H 60 8.183 8.183 8.686 -0.503 19493 1066 1 9 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.224 0.111 19493 1067 1 9 . 1 1 61 61 LYS H H 61 8.175 8.175 8.037 0.138 19493 1068 1 9 . 1 1 62 62 THR HA H 62 4.374 4.374 4.510 -0.136 19493 1069 1 9 . 1 1 62 62 THR H H 62 8.105 8.105 8.270 -0.165 19493 1070 1 9 . 1 1 63 63 THR HA H 63 4.334 4.334 4.591 -0.257 19493 1071 1 9 . 1 1 63 63 THR H H 63 8.068 8.068 8.204 -0.136 19493 1072 1 10 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.365 -0.077 19493 1073 1 10 . 1 1 2 2 LYS H H 2 8.518 8.518 8.063 0.455 19493 1074 1 10 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.560 -0.173 19493 1075 1 10 . 1 1 3 3 ALA H H 3 8.409 8.409 8.513 -0.104 19493 1076 1 10 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.952 -0.093 19493 1077 1 10 . 1 1 4 4 CYS H H 4 8.191 8.191 7.965 0.226 19493 1078 1 10 . 1 1 5 5 THR HA H 5 4.447 4.447 4.338 0.109 19493 1079 1 10 . 1 1 5 5 THR H H 5 9.026 9.026 8.296 0.730 19493 1080 1 10 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.050 0.190 19493 1081 1 10 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.406 -1.203 19493 1082 1 10 . 1 1 7 7 LEU H H 7 7.703 7.703 8.219 -0.516 19493 1083 1 10 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.207 -0.385 19493 1084 1 10 . 1 1 8 8 LEU H H 8 9.450 9.450 8.896 0.554 19493 1085 1 10 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.846 -0.127 19493 1086 1 10 . 1 1 9 9 HIS H H 9 8.125 8.125 7.847 0.278 19493 1087 1 10 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.033 -0.182 19493 1088 1 10 . 1 1 10 10 ASP H H 10 8.368 8.368 8.537 -0.169 19493 1089 1 10 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.895 0.224 19493 1090 1 10 . 1 1 11 11 CYS H H 11 8.035 8.035 8.335 -0.299 19493 1091 1 10 . 1 1 12 12 SER HA H 12 4.698 4.698 4.063 0.635 19493 1092 1 10 . 1 1 12 12 SER H H 12 8.785 8.785 8.170 0.615 19493 1093 1 10 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.317 0.305 19493 1094 1 10 . 1 1 13 13 HIS H H 13 8.595 8.595 8.396 0.199 19493 1095 1 10 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.849 -0.174 19493 1096 1 10 . 1 1 14 14 ASP H H 14 7.284 7.284 7.773 -0.489 19493 1097 1 10 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.262 0.410 19493 1098 1 10 . 1 1 15 15 ARG H H 15 9.017 9.017 8.700 0.317 19493 1099 1 10 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.734 0.308 19493 1100 1 10 . 1 1 16 16 HIS H H 16 8.529 8.529 8.481 0.048 19493 1101 1 10 . 1 1 17 17 SER HA H 17 4.472 4.472 4.630 -0.158 19493 1102 1 10 . 1 1 17 17 SER H H 17 7.481 7.481 7.716 -0.235 19493 1103 1 10 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.351 0.701 19493 1104 1 10 . 1 1 18 18 CYS H H 18 8.713 8.713 7.575 1.138 19493 1105 1 10 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.617 -0.140 19493 1106 1 10 . 1 1 19 19 CYS H H 19 8.935 8.935 8.250 0.685 19493 1107 1 10 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.611 -0.449 19493 1108 1 10 . 1 1 20 20 ARG H H 20 8.186 8.186 8.461 -0.275 19493 1109 1 10 . 1 1 21 21 GLY H H 21 7.686 7.686 7.894 -0.208 19493 1110 1 10 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.529 -0.230 19493 1111 1 10 . 1 1 22 22 ASP H H 22 8.447 8.447 8.544 -0.097 19493 1112 1 10 . 1 1 23 23 MET HA H 23 4.354 4.354 4.402 -0.048 19493 1113 1 10 . 1 1 23 23 MET H H 23 8.219 8.219 7.793 0.426 19493 1114 1 10 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.543 0.199 19493 1115 1 10 . 1 1 24 24 PHE H H 24 7.225 7.225 7.720 -0.495 19493 1116 1 10 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.766 -0.675 19493 1117 1 10 . 1 1 25 25 LYS H H 25 8.502 8.502 8.709 -0.207 19493 1118 1 10 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.790 0.267 19493 1119 1 10 . 1 1 26 26 TYR H H 26 7.625 7.625 8.657 -1.032 19493 1120 1 10 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.499 -0.042 19493 1121 1 10 . 1 1 27 27 VAL H H 27 9.082 9.082 8.771 0.311 19493 1122 1 10 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.367 -0.674 19493 1123 1 10 . 1 1 28 28 CYS H H 28 8.824 8.824 8.802 0.022 19493 1124 1 10 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.992 -0.059 19493 1125 1 10 . 1 1 29 29 ASP H H 29 8.615 8.615 8.682 -0.067 19493 1126 1 10 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.177 0.603 19493 1127 1 10 . 1 1 30 30 CYS H H 30 8.562 8.562 8.638 -0.076 19493 1128 1 10 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.919 -0.164 19493 1129 1 10 . 1 1 31 31 PHE H H 31 9.083 9.083 8.515 0.568 19493 1130 1 10 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.038 -0.100 19493 1131 1 10 . 1 1 32 32 TYR H H 32 8.682 8.682 8.610 0.072 19493 1132 1 10 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.585 -0.103 19493 1133 1 10 . 1 1 34 34 GLU HA H 34 4.300 4.300 3.944 0.356 19493 1134 1 10 . 1 1 34 34 GLU H H 34 8.529 8.529 8.803 -0.274 19493 1135 1 10 . 1 1 35 35 GLY H H 35 8.253 8.253 7.953 0.300 19493 1136 1 10 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.392 -0.178 19493 1137 1 10 . 1 1 36 36 GLU H H 36 8.174 8.174 8.186 -0.012 19493 1138 1 10 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.711 -0.204 19493 1139 1 10 . 1 1 37 37 ASP H H 37 8.339 8.339 8.738 -0.399 19493 1140 1 10 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.562 -0.112 19493 1141 1 10 . 1 1 38 38 LYS H H 38 7.963 7.963 8.139 -0.176 19493 1142 1 10 . 1 1 39 39 THR HA H 39 4.311 4.311 4.378 -0.067 19493 1143 1 10 . 1 1 39 39 THR H H 39 7.944 7.944 7.919 0.025 19493 1144 1 10 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.435 -0.548 19493 1145 1 10 . 1 1 40 40 GLU H H 40 8.409 8.409 8.414 -0.005 19493 1146 1 10 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.116 -0.066 19493 1147 1 10 . 1 1 41 41 VAL H H 41 8.380 8.380 8.718 -0.338 19493 1148 1 10 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.310 0.444 19493 1149 1 10 . 1 1 42 42 CYS H H 42 8.718 8.718 8.858 -0.140 19493 1150 1 10 . 1 1 43 43 SER HA H 43 5.198 5.198 5.353 -0.155 19493 1151 1 10 . 1 1 43 43 SER H H 43 8.833 8.833 8.973 -0.140 19493 1152 1 10 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.485 -0.270 19493 1153 1 10 . 1 1 44 44 CYS H H 44 7.931 7.931 8.739 -0.808 19493 1154 1 10 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.819 -0.164 19493 1155 1 10 . 1 1 45 45 GLN H H 45 9.842 9.842 9.292 0.550 19493 1156 1 10 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.693 0.034 19493 1157 1 10 . 1 1 46 46 GLN H H 46 8.887 8.887 8.672 0.215 19493 1158 1 10 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.317 0.073 19493 1159 1 10 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.557 -0.315 19493 1160 1 10 . 1 1 48 48 LYS H H 48 8.376 8.376 8.173 0.203 19493 1161 1 10 . 1 1 49 49 SER HA H 49 4.343 4.343 4.674 -0.331 19493 1162 1 10 . 1 1 49 49 SER H H 49 8.187 8.187 8.658 -0.471 19493 1163 1 10 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.417 0.260 19493 1164 1 10 . 1 1 50 50 HIS H H 50 8.496 8.496 8.628 -0.132 19493 1165 1 10 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.232 0.032 19493 1166 1 10 . 1 1 51 51 LYS H H 51 8.287 8.287 7.720 0.567 19493 1167 1 10 . 1 1 52 52 ILE HA H 52 4.100 4.100 3.968 0.132 19493 1168 1 10 . 1 1 52 52 ILE H H 52 8.173 8.173 8.352 -0.179 19493 1169 1 10 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.598 -0.314 19493 1170 1 10 . 1 1 53 53 ALA H H 53 8.322 8.322 8.452 -0.130 19493 1171 1 10 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.468 -0.196 19493 1172 1 10 . 1 1 54 54 GLU H H 54 8.206 8.206 8.663 -0.457 19493 1173 1 10 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.487 -0.217 19493 1174 1 10 . 1 1 55 55 LYS H H 55 8.287 8.287 8.434 -0.147 19493 1175 1 10 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.308 -0.200 19493 1176 1 10 . 1 1 56 56 ILE H H 56 8.157 8.157 8.395 -0.238 19493 1177 1 10 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.490 -0.368 19493 1178 1 10 . 1 1 57 57 ILE H H 57 8.192 8.192 8.208 -0.016 19493 1179 1 10 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.665 -0.025 19493 1180 1 10 . 1 1 58 58 ASP H H 58 8.408 8.408 8.219 0.189 19493 1181 1 10 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.294 -0.076 19493 1182 1 10 . 1 1 59 59 LYS H H 59 8.254 8.254 8.392 -0.138 19493 1183 1 10 . 1 1 60 60 ALA HA H 60 4.262 4.262 3.950 0.312 19493 1184 1 10 . 1 1 60 60 ALA H H 60 8.183 8.183 8.344 -0.161 19493 1185 1 10 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.134 0.201 19493 1186 1 10 . 1 1 61 61 LYS H H 61 8.175 8.175 8.218 -0.043 19493 1187 1 10 . 1 1 62 62 THR HA H 62 4.374 4.374 4.329 0.045 19493 1188 1 10 . 1 1 62 62 THR H H 62 8.105 8.105 8.286 -0.181 19493 1189 1 10 . 1 1 63 63 THR HA H 63 4.334 4.334 4.266 0.068 19493 1190 1 10 . 1 1 63 63 THR H H 63 8.068 8.068 8.296 -0.228 19493 1191 1 11 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.539 -0.251 19493 1192 1 11 . 1 1 2 2 LYS H H 2 8.518 8.518 8.378 0.140 19493 1193 1 11 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.281 0.106 19493 1194 1 11 . 1 1 3 3 ALA H H 3 8.409 8.409 8.750 -0.341 19493 1195 1 11 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.101 -0.242 19493 1196 1 11 . 1 1 4 4 CYS H H 4 8.191 8.191 7.505 0.686 19493 1197 1 11 . 1 1 5 5 THR HA H 5 4.447 4.447 4.384 0.063 19493 1198 1 11 . 1 1 5 5 THR H H 5 9.026 9.026 8.323 0.703 19493 1199 1 11 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.062 0.178 19493 1200 1 11 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.412 -1.209 19493 1201 1 11 . 1 1 7 7 LEU H H 7 7.703 7.703 8.229 -0.526 19493 1202 1 11 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.045 -0.223 19493 1203 1 11 . 1 1 8 8 LEU H H 8 9.450 9.450 8.942 0.508 19493 1204 1 11 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.782 -0.063 19493 1205 1 11 . 1 1 9 9 HIS H H 9 8.125 8.125 7.808 0.317 19493 1206 1 11 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.106 -0.255 19493 1207 1 11 . 1 1 10 10 ASP H H 10 8.368 8.368 8.550 -0.182 19493 1208 1 11 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.863 0.256 19493 1209 1 11 . 1 1 11 11 CYS H H 11 8.035 8.035 8.406 -0.371 19493 1210 1 11 . 1 1 12 12 SER HA H 12 4.698 4.698 4.063 0.635 19493 1211 1 11 . 1 1 12 12 SER H H 12 8.785 8.785 8.186 0.599 19493 1212 1 11 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.358 0.264 19493 1213 1 11 . 1 1 13 13 HIS H H 13 8.595 8.595 8.239 0.356 19493 1214 1 11 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.856 -0.181 19493 1215 1 11 . 1 1 14 14 ASP H H 14 7.284 7.284 7.813 -0.529 19493 1216 1 11 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.268 0.404 19493 1217 1 11 . 1 1 15 15 ARG H H 15 9.017 9.017 8.638 0.379 19493 1218 1 11 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.637 0.405 19493 1219 1 11 . 1 1 16 16 HIS H H 16 8.529 8.529 8.480 0.049 19493 1220 1 11 . 1 1 17 17 SER HA H 17 4.472 4.472 4.470 0.002 19493 1221 1 11 . 1 1 17 17 SER H H 17 7.481 7.481 7.849 -0.368 19493 1222 1 11 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.445 0.607 19493 1223 1 11 . 1 1 18 18 CYS H H 18 8.713 8.713 7.620 1.093 19493 1224 1 11 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.549 -0.072 19493 1225 1 11 . 1 1 19 19 CYS H H 19 8.935 8.935 8.362 0.573 19493 1226 1 11 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.593 -0.431 19493 1227 1 11 . 1 1 20 20 ARG H H 20 8.186 8.186 8.549 -0.363 19493 1228 1 11 . 1 1 21 21 GLY H H 21 7.686 7.686 8.181 -0.495 19493 1229 1 11 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.595 -0.296 19493 1230 1 11 . 1 1 22 22 ASP H H 22 8.447 8.447 8.386 0.061 19493 1231 1 11 . 1 1 23 23 MET HA H 23 4.354 4.354 4.377 -0.023 19493 1232 1 11 . 1 1 23 23 MET H H 23 8.219 8.219 7.729 0.490 19493 1233 1 11 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.597 0.145 19493 1234 1 11 . 1 1 24 24 PHE H H 24 7.225 7.225 7.763 -0.538 19493 1235 1 11 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.812 -0.721 19493 1236 1 11 . 1 1 25 25 LYS H H 25 8.502 8.502 8.698 -0.196 19493 1237 1 11 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.765 0.292 19493 1238 1 11 . 1 1 26 26 TYR H H 26 7.625 7.625 8.673 -1.048 19493 1239 1 11 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.565 -0.108 19493 1240 1 11 . 1 1 27 27 VAL H H 27 9.082 9.082 8.861 0.221 19493 1241 1 11 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.409 -0.716 19493 1242 1 11 . 1 1 28 28 CYS H H 28 8.824 8.824 8.960 -0.136 19493 1243 1 11 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.009 -0.076 19493 1244 1 11 . 1 1 29 29 ASP H H 29 8.615 8.615 8.549 0.066 19493 1245 1 11 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.156 0.624 19493 1246 1 11 . 1 1 30 30 CYS H H 30 8.562 8.562 8.425 0.137 19493 1247 1 11 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.963 -0.208 19493 1248 1 11 . 1 1 31 31 PHE H H 31 9.083 9.083 8.413 0.670 19493 1249 1 11 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.957 -0.019 19493 1250 1 11 . 1 1 32 32 TYR H H 32 8.682 8.682 8.555 0.127 19493 1251 1 11 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.556 -0.074 19493 1252 1 11 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.190 0.110 19493 1253 1 11 . 1 1 34 34 GLU H H 34 8.529 8.529 8.740 -0.211 19493 1254 1 11 . 1 1 35 35 GLY H H 35 8.253 8.253 8.006 0.247 19493 1255 1 11 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.475 -0.261 19493 1256 1 11 . 1 1 36 36 GLU H H 36 8.174 8.174 8.335 -0.161 19493 1257 1 11 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.721 -0.214 19493 1258 1 11 . 1 1 37 37 ASP H H 37 8.339 8.339 8.564 -0.225 19493 1259 1 11 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.356 0.094 19493 1260 1 11 . 1 1 38 38 LYS H H 38 7.963 7.963 7.922 0.041 19493 1261 1 11 . 1 1 39 39 THR HA H 39 4.311 4.311 4.429 -0.118 19493 1262 1 11 . 1 1 39 39 THR H H 39 7.944 7.944 7.827 0.117 19493 1263 1 11 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.557 -0.670 19493 1264 1 11 . 1 1 40 40 GLU H H 40 8.409 8.409 8.382 0.027 19493 1265 1 11 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.148 -0.098 19493 1266 1 11 . 1 1 41 41 VAL H H 41 8.380 8.380 8.769 -0.389 19493 1267 1 11 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.304 0.450 19493 1268 1 11 . 1 1 42 42 CYS H H 42 8.718 8.718 8.787 -0.069 19493 1269 1 11 . 1 1 43 43 SER HA H 43 5.198 5.198 5.330 -0.132 19493 1270 1 11 . 1 1 43 43 SER H H 43 8.833 8.833 8.942 -0.109 19493 1271 1 11 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.444 -0.229 19493 1272 1 11 . 1 1 44 44 CYS H H 44 7.931 7.931 8.775 -0.844 19493 1273 1 11 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.790 -0.135 19493 1274 1 11 . 1 1 45 45 GLN H H 45 9.842 9.842 9.263 0.579 19493 1275 1 11 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.658 0.069 19493 1276 1 11 . 1 1 46 46 GLN H H 46 8.887 8.887 8.628 0.259 19493 1277 1 11 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.343 0.047 19493 1278 1 11 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.442 -0.200 19493 1279 1 11 . 1 1 48 48 LYS H H 48 8.376 8.376 7.721 0.655 19493 1280 1 11 . 1 1 49 49 SER HA H 49 4.343 4.343 4.199 0.144 19493 1281 1 11 . 1 1 49 49 SER H H 49 8.187 8.187 8.646 -0.459 19493 1282 1 11 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.640 0.037 19493 1283 1 11 . 1 1 50 50 HIS H H 50 8.496 8.496 7.326 1.170 19493 1284 1 11 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.209 0.055 19493 1285 1 11 . 1 1 51 51 LYS H H 51 8.287 8.287 8.461 -0.174 19493 1286 1 11 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.052 0.048 19493 1287 1 11 . 1 1 52 52 ILE H H 52 8.173 8.173 8.183 -0.010 19493 1288 1 11 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.246 0.038 19493 1289 1 11 . 1 1 53 53 ALA H H 53 8.322 8.322 8.133 0.189 19493 1290 1 11 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.521 -0.249 19493 1291 1 11 . 1 1 54 54 GLU H H 54 8.206 8.206 8.345 -0.139 19493 1292 1 11 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.268 0.002 19493 1293 1 11 . 1 1 55 55 LYS H H 55 8.287 8.287 8.559 -0.272 19493 1294 1 11 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.021 0.087 19493 1295 1 11 . 1 1 56 56 ILE H H 56 8.157 8.157 8.200 -0.043 19493 1296 1 11 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.245 -0.123 19493 1297 1 11 . 1 1 57 57 ILE H H 57 8.192 8.192 8.378 -0.186 19493 1298 1 11 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.739 -0.099 19493 1299 1 11 . 1 1 58 58 ASP H H 58 8.408 8.408 8.446 -0.038 19493 1300 1 11 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.548 -0.330 19493 1301 1 11 . 1 1 59 59 LYS H H 59 8.254 8.254 8.354 -0.100 19493 1302 1 11 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.321 -0.059 19493 1303 1 11 . 1 1 60 60 ALA H H 60 8.183 8.183 8.364 -0.181 19493 1304 1 11 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.538 -0.203 19493 1305 1 11 . 1 1 61 61 LYS H H 61 8.175 8.175 8.172 0.003 19493 1306 1 11 . 1 1 62 62 THR HA H 62 4.374 4.374 4.515 -0.141 19493 1307 1 11 . 1 1 62 62 THR H H 62 8.105 8.105 8.270 -0.165 19493 1308 1 11 . 1 1 63 63 THR HA H 63 4.334 4.334 4.275 0.059 19493 1309 1 11 . 1 1 63 63 THR H H 63 8.068 8.068 8.351 -0.283 19493 1310 1 12 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.162 0.126 19493 1311 1 12 . 1 1 2 2 LYS H H 2 8.518 8.518 8.165 0.353 19493 1312 1 12 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.203 0.184 19493 1313 1 12 . 1 1 3 3 ALA H H 3 8.409 8.409 8.063 0.346 19493 1314 1 12 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.140 -0.281 19493 1315 1 12 . 1 1 4 4 CYS H H 4 8.191 8.191 7.489 0.702 19493 1316 1 12 . 1 1 5 5 THR HA H 5 4.447 4.447 4.339 0.108 19493 1317 1 12 . 1 1 5 5 THR H H 5 9.026 9.026 8.252 0.774 19493 1318 1 12 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.094 0.146 19493 1319 1 12 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.433 -1.230 19493 1320 1 12 . 1 1 7 7 LEU H H 7 7.703 7.703 8.242 -0.539 19493 1321 1 12 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.052 -0.230 19493 1322 1 12 . 1 1 8 8 LEU H H 8 9.450 9.450 8.942 0.508 19493 1323 1 12 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.860 -0.141 19493 1324 1 12 . 1 1 9 9 HIS H H 9 8.125 8.125 7.876 0.249 19493 1325 1 12 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.034 -0.183 19493 1326 1 12 . 1 1 10 10 ASP H H 10 8.368 8.368 8.553 -0.185 19493 1327 1 12 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.912 0.207 19493 1328 1 12 . 1 1 11 11 CYS H H 11 8.035 8.035 8.390 -0.355 19493 1329 1 12 . 1 1 12 12 SER HA H 12 4.698 4.698 4.050 0.648 19493 1330 1 12 . 1 1 12 12 SER H H 12 8.785 8.785 8.186 0.599 19493 1331 1 12 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.306 0.316 19493 1332 1 12 . 1 1 13 13 HIS H H 13 8.595 8.595 8.510 0.085 19493 1333 1 12 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.485 0.190 19493 1334 1 12 . 1 1 14 14 ASP H H 14 7.284 7.284 7.805 -0.521 19493 1335 1 12 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.109 0.563 19493 1336 1 12 . 1 1 15 15 ARG H H 15 9.017 9.017 8.421 0.596 19493 1337 1 12 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.737 0.305 19493 1338 1 12 . 1 1 16 16 HIS H H 16 8.529 8.529 7.777 0.752 19493 1339 1 12 . 1 1 17 17 SER HA H 17 4.472 4.472 4.542 -0.070 19493 1340 1 12 . 1 1 17 17 SER H H 17 7.481 7.481 7.823 -0.342 19493 1341 1 12 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.447 0.605 19493 1342 1 12 . 1 1 18 18 CYS H H 18 8.713 8.713 7.592 1.121 19493 1343 1 12 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.650 -0.173 19493 1344 1 12 . 1 1 19 19 CYS H H 19 8.935 8.935 8.359 0.576 19493 1345 1 12 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.565 -0.403 19493 1346 1 12 . 1 1 20 20 ARG H H 20 8.186 8.186 8.443 -0.257 19493 1347 1 12 . 1 1 21 21 GLY H H 21 7.686 7.686 7.809 -0.123 19493 1348 1 12 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.415 -0.116 19493 1349 1 12 . 1 1 22 22 ASP H H 22 8.447 8.447 7.997 0.450 19493 1350 1 12 . 1 1 23 23 MET HA H 23 4.354 4.354 4.584 -0.230 19493 1351 1 12 . 1 1 23 23 MET H H 23 8.219 8.219 7.588 0.631 19493 1352 1 12 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.930 -0.188 19493 1353 1 12 . 1 1 24 24 PHE H H 24 7.225 7.225 7.112 0.113 19493 1354 1 12 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.706 -0.615 19493 1355 1 12 . 1 1 25 25 LYS H H 25 8.502 8.502 8.399 0.103 19493 1356 1 12 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.795 0.262 19493 1357 1 12 . 1 1 26 26 TYR H H 26 7.625 7.625 8.601 -0.976 19493 1358 1 12 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.541 -0.084 19493 1359 1 12 . 1 1 27 27 VAL H H 27 9.082 9.082 8.789 0.293 19493 1360 1 12 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.455 -0.762 19493 1361 1 12 . 1 1 28 28 CYS H H 28 8.824 8.824 9.034 -0.210 19493 1362 1 12 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.988 -0.055 19493 1363 1 12 . 1 1 29 29 ASP H H 29 8.615 8.615 8.773 -0.158 19493 1364 1 12 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.240 0.540 19493 1365 1 12 . 1 1 30 30 CYS H H 30 8.562 8.562 8.715 -0.153 19493 1366 1 12 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.852 -0.097 19493 1367 1 12 . 1 1 31 31 PHE H H 31 9.083 9.083 8.443 0.640 19493 1368 1 12 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.875 0.063 19493 1369 1 12 . 1 1 32 32 TYR H H 32 8.682 8.682 8.429 0.253 19493 1370 1 12 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.621 -0.139 19493 1371 1 12 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.092 0.208 19493 1372 1 12 . 1 1 34 34 GLU H H 34 8.529 8.529 8.611 -0.082 19493 1373 1 12 . 1 1 35 35 GLY H H 35 8.253 8.253 8.083 0.170 19493 1374 1 12 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.523 -0.309 19493 1375 1 12 . 1 1 36 36 GLU H H 36 8.174 8.174 8.014 0.160 19493 1376 1 12 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.753 -0.246 19493 1377 1 12 . 1 1 37 37 ASP H H 37 8.339 8.339 8.780 -0.441 19493 1378 1 12 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.564 -0.114 19493 1379 1 12 . 1 1 38 38 LYS H H 38 7.963 7.963 8.043 -0.080 19493 1380 1 12 . 1 1 39 39 THR HA H 39 4.311 4.311 4.544 -0.233 19493 1381 1 12 . 1 1 39 39 THR H H 39 7.944 7.944 7.472 0.472 19493 1382 1 12 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.549 -0.662 19493 1383 1 12 . 1 1 40 40 GLU H H 40 8.409 8.409 8.534 -0.125 19493 1384 1 12 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.007 0.043 19493 1385 1 12 . 1 1 41 41 VAL H H 41 8.380 8.380 8.630 -0.250 19493 1386 1 12 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.354 0.400 19493 1387 1 12 . 1 1 42 42 CYS H H 42 8.718 8.718 8.907 -0.189 19493 1388 1 12 . 1 1 43 43 SER HA H 43 5.198 5.198 5.349 -0.151 19493 1389 1 12 . 1 1 43 43 SER H H 43 8.833 8.833 8.968 -0.135 19493 1390 1 12 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.431 -0.216 19493 1391 1 12 . 1 1 44 44 CYS H H 44 7.931 7.931 8.745 -0.814 19493 1392 1 12 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.828 -0.173 19493 1393 1 12 . 1 1 45 45 GLN H H 45 9.842 9.842 9.319 0.523 19493 1394 1 12 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.636 0.091 19493 1395 1 12 . 1 1 46 46 GLN H H 46 8.887 8.887 8.742 0.145 19493 1396 1 12 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.287 0.103 19493 1397 1 12 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.556 -0.314 19493 1398 1 12 . 1 1 48 48 LYS H H 48 8.376 8.376 8.085 0.291 19493 1399 1 12 . 1 1 49 49 SER HA H 49 4.343 4.343 4.846 -0.503 19493 1400 1 12 . 1 1 49 49 SER H H 49 8.187 8.187 8.723 -0.536 19493 1401 1 12 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.527 0.150 19493 1402 1 12 . 1 1 50 50 HIS H H 50 8.496 8.496 8.279 0.217 19493 1403 1 12 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.407 -0.143 19493 1404 1 12 . 1 1 51 51 LYS H H 51 8.287 8.287 8.251 0.036 19493 1405 1 12 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.155 -0.056 19493 1406 1 12 . 1 1 52 52 ILE H H 52 8.173 8.173 8.510 -0.337 19493 1407 1 12 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.244 0.040 19493 1408 1 12 . 1 1 53 53 ALA H H 53 8.322 8.322 8.641 -0.319 19493 1409 1 12 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.498 -0.226 19493 1410 1 12 . 1 1 54 54 GLU H H 54 8.206 8.206 8.283 -0.077 19493 1411 1 12 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.462 -0.192 19493 1412 1 12 . 1 1 55 55 LYS H H 55 8.287 8.287 8.409 -0.122 19493 1413 1 12 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.183 -0.075 19493 1414 1 12 . 1 1 56 56 ILE H H 56 8.157 8.157 8.365 -0.208 19493 1415 1 12 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.217 -0.095 19493 1416 1 12 . 1 1 57 57 ILE H H 57 8.192 8.192 8.091 0.101 19493 1417 1 12 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.513 0.127 19493 1418 1 12 . 1 1 58 58 ASP H H 58 8.408 8.408 8.339 0.069 19493 1419 1 12 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.133 0.085 19493 1420 1 12 . 1 1 59 59 LYS H H 59 8.254 8.254 8.422 -0.168 19493 1421 1 12 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.391 -0.129 19493 1422 1 12 . 1 1 60 60 ALA H H 60 8.183 8.183 8.401 -0.218 19493 1423 1 12 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.328 0.007 19493 1424 1 12 . 1 1 61 61 LYS H H 61 8.175 8.175 7.756 0.419 19493 1425 1 12 . 1 1 62 62 THR HA H 62 4.374 4.374 4.731 -0.357 19493 1426 1 12 . 1 1 62 62 THR H H 62 8.105 8.105 8.278 -0.173 19493 1427 1 12 . 1 1 63 63 THR HA H 63 4.334 4.334 4.005 0.329 19493 1428 1 12 . 1 1 63 63 THR H H 63 8.068 8.068 8.638 -0.570 19493 1429 1 13 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.484 -0.196 19493 1430 1 13 . 1 1 2 2 LYS H H 2 8.518 8.518 8.459 0.059 19493 1431 1 13 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.695 -0.308 19493 1432 1 13 . 1 1 3 3 ALA H H 3 8.409 8.409 8.433 -0.024 19493 1433 1 13 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.989 -0.130 19493 1434 1 13 . 1 1 4 4 CYS H H 4 8.191 8.191 7.967 0.224 19493 1435 1 13 . 1 1 5 5 THR HA H 5 4.447 4.447 4.342 0.105 19493 1436 1 13 . 1 1 5 5 THR H H 5 9.026 9.026 8.345 0.681 19493 1437 1 13 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.077 0.163 19493 1438 1 13 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.360 -1.157 19493 1439 1 13 . 1 1 7 7 LEU H H 7 7.703 7.703 8.232 -0.529 19493 1440 1 13 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.213 -0.391 19493 1441 1 13 . 1 1 8 8 LEU H H 8 9.450 9.450 8.878 0.572 19493 1442 1 13 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.870 -0.151 19493 1443 1 13 . 1 1 9 9 HIS H H 9 8.125 8.125 7.847 0.278 19493 1444 1 13 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.152 -0.301 19493 1445 1 13 . 1 1 10 10 ASP H H 10 8.368 8.368 8.503 -0.135 19493 1446 1 13 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.913 0.206 19493 1447 1 13 . 1 1 11 11 CYS H H 11 8.035 8.035 8.331 -0.296 19493 1448 1 13 . 1 1 12 12 SER HA H 12 4.698 4.698 4.030 0.668 19493 1449 1 13 . 1 1 12 12 SER H H 12 8.785 8.785 8.248 0.537 19493 1450 1 13 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.452 0.170 19493 1451 1 13 . 1 1 13 13 HIS H H 13 8.595 8.595 8.209 0.386 19493 1452 1 13 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.809 -0.134 19493 1453 1 13 . 1 1 14 14 ASP H H 14 7.284 7.284 7.729 -0.445 19493 1454 1 13 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.212 0.460 19493 1455 1 13 . 1 1 15 15 ARG H H 15 9.017 9.017 8.757 0.260 19493 1456 1 13 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.636 0.406 19493 1457 1 13 . 1 1 16 16 HIS H H 16 8.529 8.529 8.508 0.021 19493 1458 1 13 . 1 1 17 17 SER HA H 17 4.472 4.472 4.466 0.006 19493 1459 1 13 . 1 1 17 17 SER H H 17 7.481 7.481 7.910 -0.429 19493 1460 1 13 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.368 0.684 19493 1461 1 13 . 1 1 18 18 CYS H H 18 8.713 8.713 7.484 1.229 19493 1462 1 13 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.547 -0.070 19493 1463 1 13 . 1 1 19 19 CYS H H 19 8.935 8.935 8.261 0.674 19493 1464 1 13 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.590 -0.428 19493 1465 1 13 . 1 1 20 20 ARG H H 20 8.186 8.186 8.422 -0.236 19493 1466 1 13 . 1 1 21 21 GLY H H 21 7.686 7.686 7.966 -0.280 19493 1467 1 13 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.595 -0.296 19493 1468 1 13 . 1 1 22 22 ASP H H 22 8.447 8.447 8.518 -0.071 19493 1469 1 13 . 1 1 23 23 MET HA H 23 4.354 4.354 4.334 0.020 19493 1470 1 13 . 1 1 23 23 MET H H 23 8.219 8.219 7.724 0.495 19493 1471 1 13 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.613 0.129 19493 1472 1 13 . 1 1 24 24 PHE H H 24 7.225 7.225 7.763 -0.538 19493 1473 1 13 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.644 -0.553 19493 1474 1 13 . 1 1 25 25 LYS H H 25 8.502 8.502 8.289 0.213 19493 1475 1 13 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.553 0.504 19493 1476 1 13 . 1 1 26 26 TYR H H 26 7.625 7.625 8.691 -1.066 19493 1477 1 13 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.589 -0.132 19493 1478 1 13 . 1 1 27 27 VAL H H 27 9.082 9.082 8.764 0.318 19493 1479 1 13 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.442 -0.749 19493 1480 1 13 . 1 1 28 28 CYS H H 28 8.824 8.824 8.964 -0.140 19493 1481 1 13 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.944 -0.011 19493 1482 1 13 . 1 1 29 29 ASP H H 29 8.615 8.615 8.941 -0.326 19493 1483 1 13 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.324 0.456 19493 1484 1 13 . 1 1 30 30 CYS H H 30 8.562 8.562 8.744 -0.182 19493 1485 1 13 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.999 -0.244 19493 1486 1 13 . 1 1 31 31 PHE H H 31 9.083 9.083 8.491 0.592 19493 1487 1 13 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.205 -0.267 19493 1488 1 13 . 1 1 32 32 TYR H H 32 8.682 8.682 8.583 0.099 19493 1489 1 13 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.546 -0.064 19493 1490 1 13 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.334 -0.034 19493 1491 1 13 . 1 1 34 34 GLU H H 34 8.529 8.529 8.646 -0.117 19493 1492 1 13 . 1 1 35 35 GLY H H 35 8.253 8.253 7.910 0.343 19493 1493 1 13 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.250 -0.036 19493 1494 1 13 . 1 1 36 36 GLU H H 36 8.174 8.174 8.355 -0.181 19493 1495 1 13 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.681 -0.174 19493 1496 1 13 . 1 1 37 37 ASP H H 37 8.339 8.339 8.579 -0.240 19493 1497 1 13 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.595 -0.145 19493 1498 1 13 . 1 1 38 38 LYS H H 38 7.963 7.963 8.008 -0.045 19493 1499 1 13 . 1 1 39 39 THR HA H 39 4.311 4.311 4.495 -0.184 19493 1500 1 13 . 1 1 39 39 THR H H 39 7.944 7.944 7.641 0.303 19493 1501 1 13 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.415 -0.528 19493 1502 1 13 . 1 1 40 40 GLU H H 40 8.409 8.409 8.338 0.071 19493 1503 1 13 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.025 0.025 19493 1504 1 13 . 1 1 41 41 VAL H H 41 8.380 8.380 8.543 -0.163 19493 1505 1 13 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.425 0.329 19493 1506 1 13 . 1 1 42 42 CYS H H 42 8.718 8.718 8.814 -0.096 19493 1507 1 13 . 1 1 43 43 SER HA H 43 5.198 5.198 5.324 -0.126 19493 1508 1 13 . 1 1 43 43 SER H H 43 8.833 8.833 9.004 -0.171 19493 1509 1 13 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.424 -0.209 19493 1510 1 13 . 1 1 44 44 CYS H H 44 7.931 7.931 8.733 -0.802 19493 1511 1 13 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.821 -0.166 19493 1512 1 13 . 1 1 45 45 GLN H H 45 9.842 9.842 9.173 0.669 19493 1513 1 13 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.560 0.167 19493 1514 1 13 . 1 1 46 46 GLN H H 46 8.887 8.887 8.573 0.314 19493 1515 1 13 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.304 0.086 19493 1516 1 13 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.130 0.112 19493 1517 1 13 . 1 1 48 48 LYS H H 48 8.376 8.376 7.918 0.458 19493 1518 1 13 . 1 1 49 49 SER HA H 49 4.343 4.343 4.644 -0.301 19493 1519 1 13 . 1 1 49 49 SER H H 49 8.187 8.187 8.282 -0.095 19493 1520 1 13 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.727 -0.050 19493 1521 1 13 . 1 1 50 50 HIS H H 50 8.496 8.496 8.631 -0.135 19493 1522 1 13 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.538 -0.274 19493 1523 1 13 . 1 1 51 51 LYS H H 51 8.287 8.287 8.371 -0.084 19493 1524 1 13 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.052 0.048 19493 1525 1 13 . 1 1 52 52 ILE H H 52 8.173 8.173 8.282 -0.109 19493 1526 1 13 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.269 0.015 19493 1527 1 13 . 1 1 53 53 ALA H H 53 8.322 8.322 8.519 -0.197 19493 1528 1 13 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.409 -0.137 19493 1529 1 13 . 1 1 54 54 GLU H H 54 8.206 8.206 8.325 -0.119 19493 1530 1 13 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.216 0.054 19493 1531 1 13 . 1 1 55 55 LYS H H 55 8.287 8.287 8.264 0.023 19493 1532 1 13 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.270 -0.162 19493 1533 1 13 . 1 1 56 56 ILE H H 56 8.157 8.157 8.168 -0.011 19493 1534 1 13 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.308 -0.186 19493 1535 1 13 . 1 1 57 57 ILE H H 57 8.192 8.192 8.171 0.021 19493 1536 1 13 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.703 -0.063 19493 1537 1 13 . 1 1 58 58 ASP H H 58 8.408 8.408 8.232 0.176 19493 1538 1 13 . 1 1 59 59 LYS HA H 59 4.218 4.218 5.006 -0.788 19493 1539 1 13 . 1 1 59 59 LYS H H 59 8.254 8.254 8.306 -0.052 19493 1540 1 13 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.373 -0.111 19493 1541 1 13 . 1 1 60 60 ALA H H 60 8.183 8.183 8.325 -0.142 19493 1542 1 13 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.485 -0.150 19493 1543 1 13 . 1 1 61 61 LYS H H 61 8.175 8.175 7.818 0.357 19493 1544 1 13 . 1 1 62 62 THR HA H 62 4.374 4.374 4.477 -0.103 19493 1545 1 13 . 1 1 62 62 THR H H 62 8.105 8.105 8.264 -0.159 19493 1546 1 13 . 1 1 63 63 THR HA H 63 4.334 4.334 4.433 -0.099 19493 1547 1 13 . 1 1 63 63 THR H H 63 8.068 8.068 8.130 -0.062 19493 1548 1 14 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.360 -0.072 19493 1549 1 14 . 1 1 2 2 LYS H H 2 8.518 8.518 8.086 0.432 19493 1550 1 14 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.643 -0.256 19493 1551 1 14 . 1 1 3 3 ALA H H 3 8.409 8.409 8.058 0.351 19493 1552 1 14 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.144 -0.285 19493 1553 1 14 . 1 1 4 4 CYS H H 4 8.191 8.191 8.043 0.148 19493 1554 1 14 . 1 1 5 5 THR HA H 5 4.447 4.447 4.612 -0.165 19493 1555 1 14 . 1 1 5 5 THR H H 5 9.026 9.026 8.520 0.506 19493 1556 1 14 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.438 -0.198 19493 1557 1 14 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.061 -0.858 19493 1558 1 14 . 1 1 7 7 LEU H H 7 7.703 7.703 7.846 -0.143 19493 1559 1 14 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.116 -0.294 19493 1560 1 14 . 1 1 8 8 LEU H H 8 9.450 9.450 8.890 0.560 19493 1561 1 14 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.855 -0.136 19493 1562 1 14 . 1 1 9 9 HIS H H 9 8.125 8.125 7.937 0.188 19493 1563 1 14 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.104 -0.253 19493 1564 1 14 . 1 1 10 10 ASP H H 10 8.368 8.368 8.544 -0.176 19493 1565 1 14 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.978 0.141 19493 1566 1 14 . 1 1 11 11 CYS H H 11 8.035 8.035 8.253 -0.218 19493 1567 1 14 . 1 1 12 12 SER HA H 12 4.698 4.698 4.034 0.664 19493 1568 1 14 . 1 1 12 12 SER H H 12 8.785 8.785 8.282 0.503 19493 1569 1 14 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.335 0.287 19493 1570 1 14 . 1 1 13 13 HIS H H 13 8.595 8.595 8.032 0.563 19493 1571 1 14 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.947 -0.272 19493 1572 1 14 . 1 1 14 14 ASP H H 14 7.284 7.284 8.310 -1.026 19493 1573 1 14 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.191 0.481 19493 1574 1 14 . 1 1 15 15 ARG H H 15 9.017 9.017 8.599 0.418 19493 1575 1 14 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.652 0.390 19493 1576 1 14 . 1 1 16 16 HIS H H 16 8.529 8.529 8.075 0.454 19493 1577 1 14 . 1 1 17 17 SER HA H 17 4.472 4.472 4.592 -0.120 19493 1578 1 14 . 1 1 17 17 SER H H 17 7.481 7.481 8.084 -0.603 19493 1579 1 14 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.507 0.545 19493 1580 1 14 . 1 1 18 18 CYS H H 18 8.713 8.713 7.748 0.965 19493 1581 1 14 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.688 -0.211 19493 1582 1 14 . 1 1 19 19 CYS H H 19 8.935 8.935 8.660 0.275 19493 1583 1 14 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.776 -0.614 19493 1584 1 14 . 1 1 20 20 ARG H H 20 8.186 8.186 8.443 -0.257 19493 1585 1 14 . 1 1 21 21 GLY H H 21 7.686 7.686 8.002 -0.316 19493 1586 1 14 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.520 -0.221 19493 1587 1 14 . 1 1 22 22 ASP H H 22 8.447 8.447 8.049 0.398 19493 1588 1 14 . 1 1 23 23 MET HA H 23 4.354 4.354 4.449 -0.095 19493 1589 1 14 . 1 1 23 23 MET H H 23 8.219 8.219 7.732 0.487 19493 1590 1 14 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.770 -0.028 19493 1591 1 14 . 1 1 24 24 PHE H H 24 7.225 7.225 7.425 -0.200 19493 1592 1 14 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.141 -0.050 19493 1593 1 14 . 1 1 25 25 LYS H H 25 8.502 8.502 8.122 0.380 19493 1594 1 14 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.997 0.060 19493 1595 1 14 . 1 1 26 26 TYR H H 26 7.625 7.625 7.955 -0.330 19493 1596 1 14 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.558 -0.101 19493 1597 1 14 . 1 1 27 27 VAL H H 27 9.082 9.082 8.818 0.264 19493 1598 1 14 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.403 -0.710 19493 1599 1 14 . 1 1 28 28 CYS H H 28 8.824 8.824 8.736 0.088 19493 1600 1 14 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.943 -0.010 19493 1601 1 14 . 1 1 29 29 ASP H H 29 8.615 8.615 8.951 -0.336 19493 1602 1 14 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.259 0.521 19493 1603 1 14 . 1 1 30 30 CYS H H 30 8.562 8.562 8.769 -0.207 19493 1604 1 14 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.930 -0.175 19493 1605 1 14 . 1 1 31 31 PHE H H 31 9.083 9.083 8.508 0.575 19493 1606 1 14 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.050 -0.112 19493 1607 1 14 . 1 1 32 32 TYR H H 32 8.682 8.682 8.491 0.191 19493 1608 1 14 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.589 -0.107 19493 1609 1 14 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.490 -0.190 19493 1610 1 14 . 1 1 34 34 GLU H H 34 8.529 8.529 8.760 -0.231 19493 1611 1 14 . 1 1 35 35 GLY H H 35 8.253 8.253 7.986 0.267 19493 1612 1 14 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.487 -0.273 19493 1613 1 14 . 1 1 36 36 GLU H H 36 8.174 8.174 8.330 -0.156 19493 1614 1 14 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.710 -0.203 19493 1615 1 14 . 1 1 37 37 ASP H H 37 8.339 8.339 8.624 -0.285 19493 1616 1 14 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.530 -0.080 19493 1617 1 14 . 1 1 38 38 LYS H H 38 7.963 7.963 7.788 0.175 19493 1618 1 14 . 1 1 39 39 THR HA H 39 4.311 4.311 4.484 -0.173 19493 1619 1 14 . 1 1 39 39 THR H H 39 7.944 7.944 7.867 0.077 19493 1620 1 14 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.441 -0.554 19493 1621 1 14 . 1 1 40 40 GLU H H 40 8.409 8.409 8.432 -0.023 19493 1622 1 14 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.060 -0.010 19493 1623 1 14 . 1 1 41 41 VAL H H 41 8.380 8.380 8.578 -0.198 19493 1624 1 14 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.383 0.371 19493 1625 1 14 . 1 1 42 42 CYS H H 42 8.718 8.718 8.810 -0.092 19493 1626 1 14 . 1 1 43 43 SER HA H 43 5.198 5.198 5.407 -0.209 19493 1627 1 14 . 1 1 43 43 SER H H 43 8.833 8.833 9.058 -0.225 19493 1628 1 14 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.435 -0.220 19493 1629 1 14 . 1 1 44 44 CYS H H 44 7.931 7.931 8.655 -0.724 19493 1630 1 14 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.704 -0.049 19493 1631 1 14 . 1 1 45 45 GLN H H 45 9.842 9.842 9.327 0.515 19493 1632 1 14 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.904 -0.177 19493 1633 1 14 . 1 1 46 46 GLN H H 46 8.887 8.887 8.653 0.234 19493 1634 1 14 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.340 0.050 19493 1635 1 14 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.391 -0.149 19493 1636 1 14 . 1 1 48 48 LYS H H 48 8.376 8.376 7.992 0.384 19493 1637 1 14 . 1 1 49 49 SER HA H 49 4.343 4.343 4.836 -0.493 19493 1638 1 14 . 1 1 49 49 SER H H 49 8.187 8.187 8.324 -0.137 19493 1639 1 14 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.727 -0.050 19493 1640 1 14 . 1 1 50 50 HIS H H 50 8.496 8.496 8.506 -0.010 19493 1641 1 14 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.103 0.161 19493 1642 1 14 . 1 1 51 51 LYS H H 51 8.287 8.287 7.975 0.312 19493 1643 1 14 . 1 1 52 52 ILE HA H 52 4.100 4.100 3.877 0.223 19493 1644 1 14 . 1 1 52 52 ILE H H 52 8.173 8.173 7.456 0.717 19493 1645 1 14 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.422 -0.138 19493 1646 1 14 . 1 1 53 53 ALA H H 53 8.322 8.322 8.036 0.286 19493 1647 1 14 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.424 -0.152 19493 1648 1 14 . 1 1 54 54 GLU H H 54 8.206 8.206 8.404 -0.198 19493 1649 1 14 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.014 0.256 19493 1650 1 14 . 1 1 55 55 LYS H H 55 8.287 8.287 8.579 -0.292 19493 1651 1 14 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.014 0.094 19493 1652 1 14 . 1 1 56 56 ILE H H 56 8.157 8.157 7.994 0.163 19493 1653 1 14 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.402 -0.280 19493 1654 1 14 . 1 1 57 57 ILE H H 57 8.192 8.192 8.261 -0.069 19493 1655 1 14 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.606 0.034 19493 1656 1 14 . 1 1 58 58 ASP H H 58 8.408 8.408 8.508 -0.100 19493 1657 1 14 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.411 -0.193 19493 1658 1 14 . 1 1 59 59 LYS H H 59 8.254 8.254 8.598 -0.344 19493 1659 1 14 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.216 0.046 19493 1660 1 14 . 1 1 60 60 ALA H H 60 8.183 8.183 7.807 0.376 19493 1661 1 14 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.431 -0.096 19493 1662 1 14 . 1 1 61 61 LYS H H 61 8.175 8.175 8.233 -0.058 19493 1663 1 14 . 1 1 62 62 THR HA H 62 4.374 4.374 4.459 -0.085 19493 1664 1 14 . 1 1 62 62 THR H H 62 8.105 8.105 8.405 -0.300 19493 1665 1 14 . 1 1 63 63 THR HA H 63 4.334 4.334 4.228 0.106 19493 1666 1 14 . 1 1 63 63 THR H H 63 8.068 8.068 8.386 -0.318 19493 1667 1 15 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.332 -0.044 19493 1668 1 15 . 1 1 2 2 LYS H H 2 8.518 8.518 8.184 0.334 19493 1669 1 15 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.298 0.089 19493 1670 1 15 . 1 1 3 3 ALA H H 3 8.409 8.409 8.840 -0.431 19493 1671 1 15 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.003 -0.144 19493 1672 1 15 . 1 1 4 4 CYS H H 4 8.191 8.191 7.561 0.630 19493 1673 1 15 . 1 1 5 5 THR HA H 5 4.447 4.447 4.331 0.116 19493 1674 1 15 . 1 1 5 5 THR H H 5 9.026 9.026 8.409 0.617 19493 1675 1 15 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.093 0.147 19493 1676 1 15 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.341 -1.138 19493 1677 1 15 . 1 1 7 7 LEU H H 7 7.703 7.703 7.920 -0.217 19493 1678 1 15 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.157 -0.335 19493 1679 1 15 . 1 1 8 8 LEU H H 8 9.450 9.450 8.424 1.026 19493 1680 1 15 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.767 -0.048 19493 1681 1 15 . 1 1 9 9 HIS H H 9 8.125 8.125 7.877 0.248 19493 1682 1 15 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.257 -0.406 19493 1683 1 15 . 1 1 10 10 ASP H H 10 8.368 8.368 8.596 -0.228 19493 1684 1 15 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.908 0.211 19493 1685 1 15 . 1 1 11 11 CYS H H 11 8.035 8.035 8.407 -0.372 19493 1686 1 15 . 1 1 12 12 SER HA H 12 4.698 4.698 4.056 0.642 19493 1687 1 15 . 1 1 12 12 SER H H 12 8.785 8.785 8.389 0.396 19493 1688 1 15 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.402 0.220 19493 1689 1 15 . 1 1 13 13 HIS H H 13 8.595 8.595 8.415 0.180 19493 1690 1 15 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.760 -0.085 19493 1691 1 15 . 1 1 14 14 ASP H H 14 7.284 7.284 7.839 -0.555 19493 1692 1 15 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.360 0.312 19493 1693 1 15 . 1 1 15 15 ARG H H 15 9.017 9.017 8.703 0.314 19493 1694 1 15 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.686 0.356 19493 1695 1 15 . 1 1 16 16 HIS H H 16 8.529 8.529 8.143 0.386 19493 1696 1 15 . 1 1 17 17 SER HA H 17 4.472 4.472 4.586 -0.114 19493 1697 1 15 . 1 1 17 17 SER H H 17 7.481 7.481 7.806 -0.325 19493 1698 1 15 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.428 0.624 19493 1699 1 15 . 1 1 18 18 CYS H H 18 8.713 8.713 7.489 1.224 19493 1700 1 15 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.670 -0.193 19493 1701 1 15 . 1 1 19 19 CYS H H 19 8.935 8.935 8.498 0.437 19493 1702 1 15 . 1 1 20 20 ARG HA H 20 4.162 4.162 5.331 -1.169 19493 1703 1 15 . 1 1 20 20 ARG H H 20 8.186 8.186 8.519 -0.333 19493 1704 1 15 . 1 1 21 21 GLY H H 21 7.686 7.686 8.082 -0.396 19493 1705 1 15 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.597 -0.298 19493 1706 1 15 . 1 1 22 22 ASP H H 22 8.447 8.447 8.451 -0.004 19493 1707 1 15 . 1 1 23 23 MET HA H 23 4.354 4.354 4.517 -0.163 19493 1708 1 15 . 1 1 23 23 MET H H 23 8.219 8.219 7.920 0.299 19493 1709 1 15 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.536 0.206 19493 1710 1 15 . 1 1 24 24 PHE H H 24 7.225 7.225 7.931 -0.706 19493 1711 1 15 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.655 -0.564 19493 1712 1 15 . 1 1 25 25 LYS H H 25 8.502 8.502 8.460 0.042 19493 1713 1 15 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.695 0.362 19493 1714 1 15 . 1 1 26 26 TYR H H 26 7.625 7.625 8.470 -0.845 19493 1715 1 15 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.519 -0.062 19493 1716 1 15 . 1 1 27 27 VAL H H 27 9.082 9.082 8.726 0.356 19493 1717 1 15 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.523 -0.830 19493 1718 1 15 . 1 1 28 28 CYS H H 28 8.824 8.824 8.701 0.123 19493 1719 1 15 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.010 -0.077 19493 1720 1 15 . 1 1 29 29 ASP H H 29 8.615 8.615 8.710 -0.095 19493 1721 1 15 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.362 0.418 19493 1722 1 15 . 1 1 30 30 CYS H H 30 8.562 8.562 8.712 -0.150 19493 1723 1 15 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.878 -0.123 19493 1724 1 15 . 1 1 31 31 PHE H H 31 9.083 9.083 8.515 0.568 19493 1725 1 15 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.924 0.014 19493 1726 1 15 . 1 1 32 32 TYR H H 32 8.682 8.682 8.465 0.217 19493 1727 1 15 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.580 -0.098 19493 1728 1 15 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.098 0.202 19493 1729 1 15 . 1 1 34 34 GLU H H 34 8.529 8.529 8.536 -0.007 19493 1730 1 15 . 1 1 35 35 GLY H H 35 8.253 8.253 8.018 0.235 19493 1731 1 15 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.226 -0.012 19493 1732 1 15 . 1 1 36 36 GLU H H 36 8.174 8.174 8.311 -0.137 19493 1733 1 15 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.860 -0.353 19493 1734 1 15 . 1 1 37 37 ASP H H 37 8.339 8.339 8.339 -0.000 19493 1735 1 15 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.277 0.173 19493 1736 1 15 . 1 1 38 38 LYS H H 38 7.963 7.963 7.890 0.073 19493 1737 1 15 . 1 1 39 39 THR HA H 39 4.311 4.311 4.433 -0.122 19493 1738 1 15 . 1 1 39 39 THR H H 39 7.944 7.944 7.355 0.589 19493 1739 1 15 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.282 -0.395 19493 1740 1 15 . 1 1 40 40 GLU H H 40 8.409 8.409 8.394 0.015 19493 1741 1 15 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.018 0.032 19493 1742 1 15 . 1 1 41 41 VAL H H 41 8.380 8.380 8.228 0.152 19493 1743 1 15 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.445 0.309 19493 1744 1 15 . 1 1 42 42 CYS H H 42 8.718 8.718 8.904 -0.186 19493 1745 1 15 . 1 1 43 43 SER HA H 43 5.198 5.198 5.468 -0.270 19493 1746 1 15 . 1 1 43 43 SER H H 43 8.833 8.833 9.178 -0.345 19493 1747 1 15 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.537 -0.322 19493 1748 1 15 . 1 1 44 44 CYS H H 44 7.931 7.931 8.676 -0.745 19493 1749 1 15 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.789 -0.134 19493 1750 1 15 . 1 1 45 45 GLN H H 45 9.842 9.842 9.218 0.624 19493 1751 1 15 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.615 0.112 19493 1752 1 15 . 1 1 46 46 GLN H H 46 8.887 8.887 8.607 0.280 19493 1753 1 15 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.312 0.078 19493 1754 1 15 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.557 -0.315 19493 1755 1 15 . 1 1 48 48 LYS H H 48 8.376 8.376 7.966 0.410 19493 1756 1 15 . 1 1 49 49 SER HA H 49 4.343 4.343 4.589 -0.246 19493 1757 1 15 . 1 1 49 49 SER H H 49 8.187 8.187 8.416 -0.229 19493 1758 1 15 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.361 0.316 19493 1759 1 15 . 1 1 50 50 HIS H H 50 8.496 8.496 8.573 -0.077 19493 1760 1 15 . 1 1 51 51 LYS HA H 51 4.264 4.264 3.980 0.284 19493 1761 1 15 . 1 1 51 51 LYS H H 51 8.287 8.287 8.252 0.035 19493 1762 1 15 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.028 0.072 19493 1763 1 15 . 1 1 52 52 ILE H H 52 8.173 8.173 7.436 0.737 19493 1764 1 15 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.222 0.062 19493 1765 1 15 . 1 1 53 53 ALA H H 53 8.322 8.322 8.532 -0.210 19493 1766 1 15 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.412 -0.140 19493 1767 1 15 . 1 1 54 54 GLU H H 54 8.206 8.206 8.149 0.057 19493 1768 1 15 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.398 -0.128 19493 1769 1 15 . 1 1 55 55 LYS H H 55 8.287 8.287 8.404 -0.117 19493 1770 1 15 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.294 -0.186 19493 1771 1 15 . 1 1 56 56 ILE H H 56 8.157 8.157 8.256 -0.099 19493 1772 1 15 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.448 -0.326 19493 1773 1 15 . 1 1 57 57 ILE H H 57 8.192 8.192 8.414 -0.222 19493 1774 1 15 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.770 -0.130 19493 1775 1 15 . 1 1 58 58 ASP H H 58 8.408 8.408 8.340 0.068 19493 1776 1 15 . 1 1 59 59 LYS HA H 59 4.218 4.218 5.181 -0.963 19493 1777 1 15 . 1 1 59 59 LYS H H 59 8.254 8.254 8.507 -0.253 19493 1778 1 15 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.448 -0.186 19493 1779 1 15 . 1 1 60 60 ALA H H 60 8.183 8.183 8.424 -0.241 19493 1780 1 15 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.546 -0.211 19493 1781 1 15 . 1 1 61 61 LYS H H 61 8.175 8.175 8.626 -0.451 19493 1782 1 15 . 1 1 62 62 THR HA H 62 4.374 4.374 4.113 0.261 19493 1783 1 15 . 1 1 62 62 THR H H 62 8.105 8.105 8.591 -0.486 19493 1784 1 15 . 1 1 63 63 THR HA H 63 4.334 4.334 4.191 0.143 19493 1785 1 15 . 1 1 63 63 THR H H 63 8.068 8.068 8.171 -0.103 19493 1786 1 16 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.581 -0.293 19493 1787 1 16 . 1 1 2 2 LYS H H 2 8.518 8.518 8.367 0.151 19493 1788 1 16 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.592 -0.205 19493 1789 1 16 . 1 1 3 3 ALA H H 3 8.409 8.409 8.494 -0.085 19493 1790 1 16 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.948 -0.089 19493 1791 1 16 . 1 1 4 4 CYS H H 4 8.191 8.191 7.768 0.423 19493 1792 1 16 . 1 1 5 5 THR HA H 5 4.447 4.447 4.310 0.137 19493 1793 1 16 . 1 1 5 5 THR H H 5 9.026 9.026 8.241 0.785 19493 1794 1 16 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.056 0.184 19493 1795 1 16 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.460 -1.257 19493 1796 1 16 . 1 1 7 7 LEU H H 7 7.703 7.703 8.173 -0.470 19493 1797 1 16 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.008 -0.186 19493 1798 1 16 . 1 1 8 8 LEU H H 8 9.450 9.450 8.945 0.505 19493 1799 1 16 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.872 -0.153 19493 1800 1 16 . 1 1 9 9 HIS H H 9 8.125 8.125 7.890 0.235 19493 1801 1 16 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.084 -0.233 19493 1802 1 16 . 1 1 10 10 ASP H H 10 8.368 8.368 8.521 -0.153 19493 1803 1 16 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.847 0.272 19493 1804 1 16 . 1 1 11 11 CYS H H 11 8.035 8.035 8.392 -0.357 19493 1805 1 16 . 1 1 12 12 SER HA H 12 4.698 4.698 4.144 0.554 19493 1806 1 16 . 1 1 12 12 SER H H 12 8.785 8.785 8.183 0.602 19493 1807 1 16 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.324 0.298 19493 1808 1 16 . 1 1 13 13 HIS H H 13 8.595 8.595 8.525 0.070 19493 1809 1 16 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.515 0.160 19493 1810 1 16 . 1 1 14 14 ASP H H 14 7.284 7.284 7.779 -0.495 19493 1811 1 16 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.162 0.510 19493 1812 1 16 . 1 1 15 15 ARG H H 15 9.017 9.017 8.702 0.315 19493 1813 1 16 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.774 0.268 19493 1814 1 16 . 1 1 16 16 HIS H H 16 8.529 8.529 7.902 0.627 19493 1815 1 16 . 1 1 17 17 SER HA H 17 4.472 4.472 4.596 -0.124 19493 1816 1 16 . 1 1 17 17 SER H H 17 7.481 7.481 7.804 -0.323 19493 1817 1 16 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.399 0.653 19493 1818 1 16 . 1 1 18 18 CYS H H 18 8.713 8.713 7.739 0.974 19493 1819 1 16 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.658 -0.181 19493 1820 1 16 . 1 1 19 19 CYS H H 19 8.935 8.935 8.382 0.553 19493 1821 1 16 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.565 -0.403 19493 1822 1 16 . 1 1 20 20 ARG H H 20 8.186 8.186 8.452 -0.266 19493 1823 1 16 . 1 1 21 21 GLY H H 21 7.686 7.686 8.229 -0.543 19493 1824 1 16 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.568 -0.269 19493 1825 1 16 . 1 1 22 22 ASP H H 22 8.447 8.447 8.563 -0.116 19493 1826 1 16 . 1 1 23 23 MET HA H 23 4.354 4.354 4.361 -0.007 19493 1827 1 16 . 1 1 23 23 MET H H 23 8.219 8.219 7.835 0.384 19493 1828 1 16 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.581 0.161 19493 1829 1 16 . 1 1 24 24 PHE H H 24 7.225 7.225 7.883 -0.658 19493 1830 1 16 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.808 -0.717 19493 1831 1 16 . 1 1 25 25 LYS H H 25 8.502 8.502 8.646 -0.144 19493 1832 1 16 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.798 0.259 19493 1833 1 16 . 1 1 26 26 TYR H H 26 7.625 7.625 8.622 -0.997 19493 1834 1 16 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.573 -0.116 19493 1835 1 16 . 1 1 27 27 VAL H H 27 9.082 9.082 8.935 0.147 19493 1836 1 16 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.402 -0.709 19493 1837 1 16 . 1 1 28 28 CYS H H 28 8.824 8.824 8.885 -0.061 19493 1838 1 16 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.074 -0.141 19493 1839 1 16 . 1 1 29 29 ASP H H 29 8.615 8.615 8.857 -0.242 19493 1840 1 16 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.472 0.308 19493 1841 1 16 . 1 1 30 30 CYS H H 30 8.562 8.562 8.714 -0.152 19493 1842 1 16 . 1 1 31 31 PHE HA H 31 4.755 4.755 5.090 -0.335 19493 1843 1 16 . 1 1 31 31 PHE H H 31 9.083 9.083 8.649 0.434 19493 1844 1 16 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.017 -0.079 19493 1845 1 16 . 1 1 32 32 TYR H H 32 8.682 8.682 8.599 0.083 19493 1846 1 16 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.385 0.097 19493 1847 1 16 . 1 1 34 34 GLU HA H 34 4.300 4.300 3.898 0.402 19493 1848 1 16 . 1 1 34 34 GLU H H 34 8.529 8.529 8.507 0.022 19493 1849 1 16 . 1 1 35 35 GLY H H 35 8.253 8.253 7.665 0.588 19493 1850 1 16 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.315 -0.101 19493 1851 1 16 . 1 1 36 36 GLU H H 36 8.174 8.174 8.351 -0.177 19493 1852 1 16 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.934 -0.427 19493 1853 1 16 . 1 1 37 37 ASP H H 37 8.339 8.339 8.641 -0.302 19493 1854 1 16 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.570 -0.120 19493 1855 1 16 . 1 1 38 38 LYS H H 38 7.963 7.963 7.885 0.078 19493 1856 1 16 . 1 1 39 39 THR HA H 39 4.311 4.311 4.516 -0.205 19493 1857 1 16 . 1 1 39 39 THR H H 39 7.944 7.944 7.584 0.360 19493 1858 1 16 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.784 -0.897 19493 1859 1 16 . 1 1 40 40 GLU H H 40 8.409 8.409 8.534 -0.125 19493 1860 1 16 . 1 1 41 41 VAL HA H 41 4.050 4.050 3.972 0.078 19493 1861 1 16 . 1 1 41 41 VAL H H 41 8.380 8.380 8.376 0.004 19493 1862 1 16 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.470 0.284 19493 1863 1 16 . 1 1 42 42 CYS H H 42 8.718 8.718 8.939 -0.221 19493 1864 1 16 . 1 1 43 43 SER HA H 43 5.198 5.198 5.380 -0.182 19493 1865 1 16 . 1 1 43 43 SER H H 43 8.833 8.833 9.242 -0.409 19493 1866 1 16 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.537 -0.322 19493 1867 1 16 . 1 1 44 44 CYS H H 44 7.931 7.931 8.722 -0.791 19493 1868 1 16 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.817 -0.162 19493 1869 1 16 . 1 1 45 45 GLN H H 45 9.842 9.842 9.248 0.594 19493 1870 1 16 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.668 0.059 19493 1871 1 16 . 1 1 46 46 GLN H H 46 8.887 8.887 8.644 0.243 19493 1872 1 16 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.280 0.110 19493 1873 1 16 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.113 0.129 19493 1874 1 16 . 1 1 48 48 LYS H H 48 8.376 8.376 8.105 0.271 19493 1875 1 16 . 1 1 49 49 SER HA H 49 4.343 4.343 4.289 0.054 19493 1876 1 16 . 1 1 49 49 SER H H 49 8.187 8.187 8.422 -0.235 19493 1877 1 16 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.624 0.053 19493 1878 1 16 . 1 1 50 50 HIS H H 50 8.496 8.496 7.840 0.655 19493 1879 1 16 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.573 -0.309 19493 1880 1 16 . 1 1 51 51 LYS H H 51 8.287 8.287 8.330 -0.043 19493 1881 1 16 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.133 -0.033 19493 1882 1 16 . 1 1 52 52 ILE H H 52 8.173 8.173 8.181 -0.008 19493 1883 1 16 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.237 0.047 19493 1884 1 16 . 1 1 53 53 ALA H H 53 8.322 8.322 8.174 0.148 19493 1885 1 16 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.420 -0.148 19493 1886 1 16 . 1 1 54 54 GLU H H 54 8.206 8.206 8.649 -0.443 19493 1887 1 16 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.173 0.097 19493 1888 1 16 . 1 1 55 55 LYS H H 55 8.287 8.287 7.967 0.320 19493 1889 1 16 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.175 -0.067 19493 1890 1 16 . 1 1 56 56 ILE H H 56 8.157 8.157 7.526 0.631 19493 1891 1 16 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.003 0.119 19493 1892 1 16 . 1 1 57 57 ILE H H 57 8.192 8.192 8.431 -0.239 19493 1893 1 16 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.743 -0.103 19493 1894 1 16 . 1 1 58 58 ASP H H 58 8.408 8.408 8.401 0.007 19493 1895 1 16 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.142 0.076 19493 1896 1 16 . 1 1 59 59 LYS H H 59 8.254 8.254 8.284 -0.030 19493 1897 1 16 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.100 0.162 19493 1898 1 16 . 1 1 60 60 ALA H H 60 8.183 8.183 8.097 0.086 19493 1899 1 16 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.339 -0.004 19493 1900 1 16 . 1 1 61 61 LYS H H 61 8.175 8.175 7.722 0.453 19493 1901 1 16 . 1 1 62 62 THR HA H 62 4.374 4.374 4.457 -0.083 19493 1902 1 16 . 1 1 62 62 THR H H 62 8.105 8.105 7.999 0.106 19493 1903 1 16 . 1 1 63 63 THR HA H 63 4.334 4.334 4.893 -0.559 19493 1904 1 16 . 1 1 63 63 THR H H 63 8.068 8.068 8.202 -0.134 19493 1905 1 17 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.227 0.061 19493 1906 1 17 . 1 1 2 2 LYS H H 2 8.518 8.518 8.282 0.236 19493 1907 1 17 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.549 -0.162 19493 1908 1 17 . 1 1 3 3 ALA H H 3 8.409 8.409 8.343 0.066 19493 1909 1 17 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.161 -0.302 19493 1910 1 17 . 1 1 4 4 CYS H H 4 8.191 8.191 7.982 0.209 19493 1911 1 17 . 1 1 5 5 THR HA H 5 4.447 4.447 4.375 0.072 19493 1912 1 17 . 1 1 5 5 THR H H 5 9.026 9.026 8.395 0.631 19493 1913 1 17 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.087 0.153 19493 1914 1 17 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.423 -1.220 19493 1915 1 17 . 1 1 7 7 LEU H H 7 7.703 7.703 8.212 -0.509 19493 1916 1 17 . 1 1 8 8 LEU HA H 8 3.822 3.822 3.998 -0.176 19493 1917 1 17 . 1 1 8 8 LEU H H 8 9.450 9.450 8.921 0.529 19493 1918 1 17 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.819 -0.100 19493 1919 1 17 . 1 1 9 9 HIS H H 9 8.125 8.125 7.837 0.288 19493 1920 1 17 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.245 -0.394 19493 1921 1 17 . 1 1 10 10 ASP H H 10 8.368 8.368 8.612 -0.244 19493 1922 1 17 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.960 0.159 19493 1923 1 17 . 1 1 11 11 CYS H H 11 8.035 8.035 8.517 -0.482 19493 1924 1 17 . 1 1 12 12 SER HA H 12 4.698 4.698 4.062 0.636 19493 1925 1 17 . 1 1 12 12 SER H H 12 8.785 8.785 8.186 0.599 19493 1926 1 17 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.351 0.271 19493 1927 1 17 . 1 1 13 13 HIS H H 13 8.595 8.595 8.361 0.234 19493 1928 1 17 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.560 0.115 19493 1929 1 17 . 1 1 14 14 ASP H H 14 7.284 7.284 7.644 -0.360 19493 1930 1 17 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.156 0.516 19493 1931 1 17 . 1 1 15 15 ARG H H 15 9.017 9.017 8.697 0.320 19493 1932 1 17 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.758 0.284 19493 1933 1 17 . 1 1 16 16 HIS H H 16 8.529 8.529 8.136 0.393 19493 1934 1 17 . 1 1 17 17 SER HA H 17 4.472 4.472 4.439 0.033 19493 1935 1 17 . 1 1 17 17 SER H H 17 7.481 7.481 7.909 -0.428 19493 1936 1 17 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.399 0.653 19493 1937 1 17 . 1 1 18 18 CYS H H 18 8.713 8.713 7.571 1.142 19493 1938 1 17 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.575 -0.098 19493 1939 1 17 . 1 1 19 19 CYS H H 19 8.935 8.935 8.285 0.650 19493 1940 1 17 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.560 -0.398 19493 1941 1 17 . 1 1 20 20 ARG H H 20 8.186 8.186 8.433 -0.247 19493 1942 1 17 . 1 1 21 21 GLY H H 21 7.686 7.686 8.088 -0.402 19493 1943 1 17 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.555 -0.256 19493 1944 1 17 . 1 1 22 22 ASP H H 22 8.447 8.447 8.610 -0.163 19493 1945 1 17 . 1 1 23 23 MET HA H 23 4.354 4.354 4.383 -0.029 19493 1946 1 17 . 1 1 23 23 MET H H 23 8.219 8.219 7.863 0.356 19493 1947 1 17 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.654 0.088 19493 1948 1 17 . 1 1 24 24 PHE H H 24 7.225 7.225 7.655 -0.430 19493 1949 1 17 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.685 -0.594 19493 1950 1 17 . 1 1 25 25 LYS H H 25 8.502 8.502 8.538 -0.036 19493 1951 1 17 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.795 0.262 19493 1952 1 17 . 1 1 26 26 TYR H H 26 7.625 7.625 8.530 -0.905 19493 1953 1 17 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.530 -0.073 19493 1954 1 17 . 1 1 27 27 VAL H H 27 9.082 9.082 8.857 0.225 19493 1955 1 17 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.383 -0.690 19493 1956 1 17 . 1 1 28 28 CYS H H 28 8.824 8.824 8.868 -0.044 19493 1957 1 17 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.991 -0.058 19493 1958 1 17 . 1 1 29 29 ASP H H 29 8.615 8.615 8.690 -0.075 19493 1959 1 17 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.164 0.616 19493 1960 1 17 . 1 1 30 30 CYS H H 30 8.562 8.562 8.574 -0.012 19493 1961 1 17 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.870 -0.115 19493 1962 1 17 . 1 1 31 31 PHE H H 31 9.083 9.083 8.403 0.680 19493 1963 1 17 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.898 0.040 19493 1964 1 17 . 1 1 32 32 TYR H H 32 8.682 8.682 8.583 0.099 19493 1965 1 17 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.510 -0.028 19493 1966 1 17 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.000 0.300 19493 1967 1 17 . 1 1 34 34 GLU H H 34 8.529 8.529 8.839 -0.310 19493 1968 1 17 . 1 1 35 35 GLY H H 35 8.253 8.253 8.185 0.068 19493 1969 1 17 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.567 -0.353 19493 1970 1 17 . 1 1 36 36 GLU H H 36 8.174 8.174 7.615 0.559 19493 1971 1 17 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.712 -0.205 19493 1972 1 17 . 1 1 37 37 ASP H H 37 8.339 8.339 8.741 -0.402 19493 1973 1 17 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.494 -0.044 19493 1974 1 17 . 1 1 38 38 LYS H H 38 7.963 7.963 8.167 -0.204 19493 1975 1 17 . 1 1 39 39 THR HA H 39 4.311 4.311 4.526 -0.215 19493 1976 1 17 . 1 1 39 39 THR H H 39 7.944 7.944 7.587 0.357 19493 1977 1 17 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.347 -0.460 19493 1978 1 17 . 1 1 40 40 GLU H H 40 8.409 8.409 8.394 0.015 19493 1979 1 17 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.167 -0.117 19493 1980 1 17 . 1 1 41 41 VAL H H 41 8.380 8.380 8.369 0.011 19493 1981 1 17 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.348 0.406 19493 1982 1 17 . 1 1 42 42 CYS H H 42 8.718 8.718 8.715 0.003 19493 1983 1 17 . 1 1 43 43 SER HA H 43 5.198 5.198 5.300 -0.102 19493 1984 1 17 . 1 1 43 43 SER H H 43 8.833 8.833 8.992 -0.159 19493 1985 1 17 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.461 -0.246 19493 1986 1 17 . 1 1 44 44 CYS H H 44 7.931 7.931 8.779 -0.848 19493 1987 1 17 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.813 -0.158 19493 1988 1 17 . 1 1 45 45 GLN H H 45 9.842 9.842 9.158 0.684 19493 1989 1 17 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.676 0.051 19493 1990 1 17 . 1 1 46 46 GLN H H 46 8.887 8.887 8.626 0.261 19493 1991 1 17 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.349 0.041 19493 1992 1 17 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.282 -0.040 19493 1993 1 17 . 1 1 48 48 LYS H H 48 8.376 8.376 7.645 0.731 19493 1994 1 17 . 1 1 49 49 SER HA H 49 4.343 4.343 4.213 0.130 19493 1995 1 17 . 1 1 49 49 SER H H 49 8.187 8.187 8.592 -0.405 19493 1996 1 17 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.349 0.328 19493 1997 1 17 . 1 1 50 50 HIS H H 50 8.496 8.496 8.671 -0.175 19493 1998 1 17 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.173 0.091 19493 1999 1 17 . 1 1 51 51 LYS H H 51 8.287 8.287 7.849 0.438 19493 2000 1 17 . 1 1 52 52 ILE HA H 52 4.100 4.100 3.955 0.145 19493 2001 1 17 . 1 1 52 52 ILE H H 52 8.173 8.173 8.082 0.091 19493 2002 1 17 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.361 -0.077 19493 2003 1 17 . 1 1 53 53 ALA H H 53 8.322 8.322 8.142 0.180 19493 2004 1 17 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.182 0.090 19493 2005 1 17 . 1 1 54 54 GLU H H 54 8.206 8.206 8.272 -0.066 19493 2006 1 17 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.106 0.164 19493 2007 1 17 . 1 1 55 55 LYS H H 55 8.287 8.287 8.401 -0.114 19493 2008 1 17 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.290 -0.182 19493 2009 1 17 . 1 1 56 56 ILE H H 56 8.157 8.157 8.290 -0.133 19493 2010 1 17 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.065 0.057 19493 2011 1 17 . 1 1 57 57 ILE H H 57 8.192 8.192 8.416 -0.224 19493 2012 1 17 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.789 -0.149 19493 2013 1 17 . 1 1 58 58 ASP H H 58 8.408 8.408 8.320 0.088 19493 2014 1 17 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.350 -0.132 19493 2015 1 17 . 1 1 59 59 LYS H H 59 8.254 8.254 8.619 -0.365 19493 2016 1 17 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.564 -0.302 19493 2017 1 17 . 1 1 60 60 ALA H H 60 8.183 8.183 8.179 0.004 19493 2018 1 17 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.218 0.117 19493 2019 1 17 . 1 1 61 61 LYS H H 61 8.175 8.175 8.192 -0.017 19493 2020 1 17 . 1 1 62 62 THR HA H 62 4.374 4.374 4.343 0.031 19493 2021 1 17 . 1 1 62 62 THR H H 62 8.105 8.105 8.402 -0.297 19493 2022 1 17 . 1 1 63 63 THR HA H 63 4.334 4.334 4.362 -0.028 19493 2023 1 17 . 1 1 63 63 THR H H 63 8.068 8.068 7.644 0.424 19493 2024 1 18 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.521 -0.233 19493 2025 1 18 . 1 1 2 2 LYS H H 2 8.518 8.518 7.873 0.645 19493 2026 1 18 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.350 0.037 19493 2027 1 18 . 1 1 3 3 ALA H H 3 8.409 8.409 8.635 -0.226 19493 2028 1 18 . 1 1 4 4 CYS HA H 4 4.859 4.859 4.918 -0.059 19493 2029 1 18 . 1 1 4 4 CYS H H 4 8.191 8.191 7.619 0.572 19493 2030 1 18 . 1 1 5 5 THR HA H 5 4.447 4.447 4.321 0.126 19493 2031 1 18 . 1 1 5 5 THR H H 5 9.026 9.026 8.179 0.847 19493 2032 1 18 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.053 0.187 19493 2033 1 18 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.428 -1.225 19493 2034 1 18 . 1 1 7 7 LEU H H 7 7.703 7.703 8.248 -0.545 19493 2035 1 18 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.057 -0.235 19493 2036 1 18 . 1 1 8 8 LEU H H 8 9.450 9.450 8.947 0.503 19493 2037 1 18 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.813 -0.094 19493 2038 1 18 . 1 1 9 9 HIS H H 9 8.125 8.125 7.851 0.274 19493 2039 1 18 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.237 -0.386 19493 2040 1 18 . 1 1 10 10 ASP H H 10 8.368 8.368 8.603 -0.235 19493 2041 1 18 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.986 0.133 19493 2042 1 18 . 1 1 11 11 CYS H H 11 8.035 8.035 8.484 -0.449 19493 2043 1 18 . 1 1 12 12 SER HA H 12 4.698 4.698 4.104 0.594 19493 2044 1 18 . 1 1 12 12 SER H H 12 8.785 8.785 8.345 0.440 19493 2045 1 18 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.401 0.221 19493 2046 1 18 . 1 1 13 13 HIS H H 13 8.595 8.595 8.439 0.156 19493 2047 1 18 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.791 -0.116 19493 2048 1 18 . 1 1 14 14 ASP H H 14 7.284 7.284 7.791 -0.507 19493 2049 1 18 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.349 0.323 19493 2050 1 18 . 1 1 15 15 ARG H H 15 9.017 9.017 8.509 0.508 19493 2051 1 18 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.668 0.374 19493 2052 1 18 . 1 1 16 16 HIS H H 16 8.529 8.529 8.367 0.162 19493 2053 1 18 . 1 1 17 17 SER HA H 17 4.472 4.472 4.423 0.049 19493 2054 1 18 . 1 1 17 17 SER H H 17 7.481 7.481 7.906 -0.425 19493 2055 1 18 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.414 0.638 19493 2056 1 18 . 1 1 18 18 CYS H H 18 8.713 8.713 7.525 1.188 19493 2057 1 18 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.593 -0.116 19493 2058 1 18 . 1 1 19 19 CYS H H 19 8.935 8.935 8.326 0.609 19493 2059 1 18 . 1 1 20 20 ARG HA H 20 4.162 4.162 5.263 -1.101 19493 2060 1 18 . 1 1 20 20 ARG H H 20 8.186 8.186 8.592 -0.406 19493 2061 1 18 . 1 1 21 21 GLY H H 21 7.686 7.686 8.146 -0.460 19493 2062 1 18 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.523 -0.224 19493 2063 1 18 . 1 1 22 22 ASP H H 22 8.447 8.447 8.635 -0.188 19493 2064 1 18 . 1 1 23 23 MET HA H 23 4.354 4.354 4.486 -0.132 19493 2065 1 18 . 1 1 23 23 MET H H 23 8.219 8.219 7.899 0.320 19493 2066 1 18 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.569 0.173 19493 2067 1 18 . 1 1 24 24 PHE H H 24 7.225 7.225 7.826 -0.601 19493 2068 1 18 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.764 -0.673 19493 2069 1 18 . 1 1 25 25 LYS H H 25 8.502 8.502 8.365 0.137 19493 2070 1 18 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.828 0.229 19493 2071 1 18 . 1 1 26 26 TYR H H 26 7.625 7.625 8.573 -0.948 19493 2072 1 18 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.551 -0.094 19493 2073 1 18 . 1 1 27 27 VAL H H 27 9.082 9.082 8.806 0.276 19493 2074 1 18 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.416 -0.723 19493 2075 1 18 . 1 1 28 28 CYS H H 28 8.824 8.824 8.840 -0.016 19493 2076 1 18 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.062 -0.129 19493 2077 1 18 . 1 1 29 29 ASP H H 29 8.615 8.615 8.798 -0.183 19493 2078 1 18 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.459 0.321 19493 2079 1 18 . 1 1 30 30 CYS H H 30 8.562 8.562 8.690 -0.128 19493 2080 1 18 . 1 1 31 31 PHE HA H 31 4.755 4.755 5.075 -0.320 19493 2081 1 18 . 1 1 31 31 PHE H H 31 9.083 9.083 8.598 0.485 19493 2082 1 18 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.011 -0.073 19493 2083 1 18 . 1 1 32 32 TYR H H 32 8.682 8.682 8.598 0.084 19493 2084 1 18 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.355 0.127 19493 2085 1 18 . 1 1 34 34 GLU HA H 34 4.300 4.300 3.960 0.340 19493 2086 1 18 . 1 1 34 34 GLU H H 34 8.529 8.529 8.559 -0.030 19493 2087 1 18 . 1 1 35 35 GLY H H 35 8.253 8.253 7.623 0.630 19493 2088 1 18 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.213 0.001 19493 2089 1 18 . 1 1 36 36 GLU H H 36 8.174 8.174 8.340 -0.166 19493 2090 1 18 . 1 1 37 37 ASP HA H 37 4.507 4.507 5.027 -0.520 19493 2091 1 18 . 1 1 37 37 ASP H H 37 8.339 8.339 8.910 -0.571 19493 2092 1 18 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.456 -0.006 19493 2093 1 18 . 1 1 38 38 LYS H H 38 7.963 7.963 7.990 -0.027 19493 2094 1 18 . 1 1 39 39 THR HA H 39 4.311 4.311 4.489 -0.178 19493 2095 1 18 . 1 1 39 39 THR H H 39 7.944 7.944 7.717 0.227 19493 2096 1 18 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.654 -0.767 19493 2097 1 18 . 1 1 40 40 GLU H H 40 8.409 8.409 8.608 -0.199 19493 2098 1 18 . 1 1 41 41 VAL HA H 41 4.050 4.050 3.988 0.062 19493 2099 1 18 . 1 1 41 41 VAL H H 41 8.380 8.380 8.434 -0.054 19493 2100 1 18 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.465 0.289 19493 2101 1 18 . 1 1 42 42 CYS H H 42 8.718 8.718 8.952 -0.234 19493 2102 1 18 . 1 1 43 43 SER HA H 43 5.198 5.198 5.419 -0.221 19493 2103 1 18 . 1 1 43 43 SER H H 43 8.833 8.833 9.221 -0.388 19493 2104 1 18 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.530 -0.315 19493 2105 1 18 . 1 1 44 44 CYS H H 44 7.931 7.931 8.817 -0.886 19493 2106 1 18 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.818 -0.163 19493 2107 1 18 . 1 1 45 45 GLN H H 45 9.842 9.842 9.260 0.582 19493 2108 1 18 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.688 0.039 19493 2109 1 18 . 1 1 46 46 GLN H H 46 8.887 8.887 8.643 0.244 19493 2110 1 18 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.322 0.068 19493 2111 1 18 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.140 0.102 19493 2112 1 18 . 1 1 48 48 LYS H H 48 8.376 8.376 7.986 0.390 19493 2113 1 18 . 1 1 49 49 SER HA H 49 4.343 4.343 4.611 -0.268 19493 2114 1 18 . 1 1 49 49 SER H H 49 8.187 8.187 8.184 0.003 19493 2115 1 18 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.993 -0.316 19493 2116 1 18 . 1 1 50 50 HIS H H 50 8.496 8.496 8.003 0.493 19493 2117 1 18 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.582 -0.318 19493 2118 1 18 . 1 1 51 51 LYS H H 51 8.287 8.287 8.264 0.023 19493 2119 1 18 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.052 0.048 19493 2120 1 18 . 1 1 52 52 ILE H H 52 8.173 8.173 8.321 -0.148 19493 2121 1 18 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.351 -0.067 19493 2122 1 18 . 1 1 53 53 ALA H H 53 8.322 8.322 8.390 -0.068 19493 2123 1 18 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.470 -0.198 19493 2124 1 18 . 1 1 54 54 GLU H H 54 8.206 8.206 8.617 -0.411 19493 2125 1 18 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.225 0.045 19493 2126 1 18 . 1 1 55 55 LYS H H 55 8.287 8.287 8.135 0.152 19493 2127 1 18 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.300 -0.192 19493 2128 1 18 . 1 1 56 56 ILE H H 56 8.157 8.157 8.122 0.035 19493 2129 1 18 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.524 -0.402 19493 2130 1 18 . 1 1 57 57 ILE H H 57 8.192 8.192 8.164 0.028 19493 2131 1 18 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.504 0.136 19493 2132 1 18 . 1 1 58 58 ASP H H 58 8.408 8.408 8.521 -0.113 19493 2133 1 18 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.390 -0.172 19493 2134 1 18 . 1 1 59 59 LYS H H 59 8.254 8.254 8.500 -0.246 19493 2135 1 18 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.454 -0.192 19493 2136 1 18 . 1 1 60 60 ALA H H 60 8.183 8.183 7.790 0.393 19493 2137 1 18 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.305 0.030 19493 2138 1 18 . 1 1 61 61 LYS H H 61 8.175 8.175 8.512 -0.337 19493 2139 1 18 . 1 1 62 62 THR HA H 62 4.374 4.374 4.288 0.086 19493 2140 1 18 . 1 1 62 62 THR H H 62 8.105 8.105 8.029 0.076 19493 2141 1 18 . 1 1 63 63 THR HA H 63 4.334 4.334 4.383 -0.049 19493 2142 1 18 . 1 1 63 63 THR H H 63 8.068 8.068 8.317 -0.249 19493 2143 1 19 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.419 -0.131 19493 2144 1 19 . 1 1 2 2 LYS H H 2 8.518 8.518 8.059 0.459 19493 2145 1 19 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.558 -0.171 19493 2146 1 19 . 1 1 3 3 ALA H H 3 8.409 8.409 8.457 -0.048 19493 2147 1 19 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.197 -0.338 19493 2148 1 19 . 1 1 4 4 CYS H H 4 8.191 8.191 7.915 0.276 19493 2149 1 19 . 1 1 5 5 THR HA H 5 4.447 4.447 4.401 0.046 19493 2150 1 19 . 1 1 5 5 THR H H 5 9.026 9.026 8.335 0.691 19493 2151 1 19 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.094 0.146 19493 2152 1 19 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.435 -1.232 19493 2153 1 19 . 1 1 7 7 LEU H H 7 7.703 7.703 8.249 -0.546 19493 2154 1 19 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.092 -0.270 19493 2155 1 19 . 1 1 8 8 LEU H H 8 9.450 9.450 8.633 0.817 19493 2156 1 19 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.872 -0.153 19493 2157 1 19 . 1 1 9 9 HIS H H 9 8.125 8.125 7.621 0.504 19493 2158 1 19 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.041 -0.190 19493 2159 1 19 . 1 1 10 10 ASP H H 10 8.368 8.368 8.387 -0.019 19493 2160 1 19 . 1 1 11 11 CYS HA H 11 5.119 5.119 5.011 0.108 19493 2161 1 19 . 1 1 11 11 CYS H H 11 8.035 8.035 8.396 -0.361 19493 2162 1 19 . 1 1 12 12 SER HA H 12 4.698 4.698 4.076 0.622 19493 2163 1 19 . 1 1 12 12 SER H H 12 8.785 8.785 8.304 0.481 19493 2164 1 19 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.337 0.285 19493 2165 1 19 . 1 1 13 13 HIS H H 13 8.595 8.595 8.515 0.080 19493 2166 1 19 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.876 -0.201 19493 2167 1 19 . 1 1 14 14 ASP H H 14 7.284 7.284 7.867 -0.583 19493 2168 1 19 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.125 0.547 19493 2169 1 19 . 1 1 15 15 ARG H H 15 9.017 9.017 8.473 0.544 19493 2170 1 19 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.769 0.273 19493 2171 1 19 . 1 1 16 16 HIS H H 16 8.529 8.529 8.164 0.365 19493 2172 1 19 . 1 1 17 17 SER HA H 17 4.472 4.472 4.588 -0.116 19493 2173 1 19 . 1 1 17 17 SER H H 17 7.481 7.481 7.855 -0.374 19493 2174 1 19 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.440 0.612 19493 2175 1 19 . 1 1 18 18 CYS H H 18 8.713 8.713 7.558 1.155 19493 2176 1 19 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.643 -0.166 19493 2177 1 19 . 1 1 19 19 CYS H H 19 8.935 8.935 8.281 0.654 19493 2178 1 19 . 1 1 20 20 ARG HA H 20 4.162 4.162 5.355 -1.193 19493 2179 1 19 . 1 1 20 20 ARG H H 20 8.186 8.186 8.500 -0.314 19493 2180 1 19 . 1 1 21 21 GLY H H 21 7.686 7.686 8.100 -0.414 19493 2181 1 19 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.596 -0.297 19493 2182 1 19 . 1 1 22 22 ASP H H 22 8.447 8.447 8.504 -0.057 19493 2183 1 19 . 1 1 23 23 MET HA H 23 4.354 4.354 4.512 -0.158 19493 2184 1 19 . 1 1 23 23 MET H H 23 8.219 8.219 7.930 0.289 19493 2185 1 19 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.665 0.077 19493 2186 1 19 . 1 1 24 24 PHE H H 24 7.225 7.225 7.890 -0.665 19493 2187 1 19 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.691 -0.600 19493 2188 1 19 . 1 1 25 25 LYS H H 25 8.502 8.502 8.462 0.040 19493 2189 1 19 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.795 0.262 19493 2190 1 19 . 1 1 26 26 TYR H H 26 7.625 7.625 8.513 -0.888 19493 2191 1 19 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.569 -0.112 19493 2192 1 19 . 1 1 27 27 VAL H H 27 9.082 9.082 8.891 0.191 19493 2193 1 19 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.444 -0.751 19493 2194 1 19 . 1 1 28 28 CYS H H 28 8.824 8.824 8.920 -0.096 19493 2195 1 19 . 1 1 29 29 ASP HA H 29 4.933 4.933 5.058 -0.125 19493 2196 1 19 . 1 1 29 29 ASP H H 29 8.615 8.615 8.734 -0.119 19493 2197 1 19 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.467 0.313 19493 2198 1 19 . 1 1 30 30 CYS H H 30 8.562 8.562 8.724 -0.162 19493 2199 1 19 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.925 -0.170 19493 2200 1 19 . 1 1 31 31 PHE H H 31 9.083 9.083 8.602 0.481 19493 2201 1 19 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.897 0.041 19493 2202 1 19 . 1 1 32 32 TYR H H 32 8.682 8.682 8.585 0.097 19493 2203 1 19 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.327 0.155 19493 2204 1 19 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.100 0.200 19493 2205 1 19 . 1 1 34 34 GLU H H 34 8.529 8.529 8.400 0.129 19493 2206 1 19 . 1 1 35 35 GLY H H 35 8.253 8.253 7.988 0.265 19493 2207 1 19 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.619 -0.405 19493 2208 1 19 . 1 1 36 36 GLU H H 36 8.174 8.174 8.132 0.042 19493 2209 1 19 . 1 1 37 37 ASP HA H 37 4.507 4.507 5.015 -0.508 19493 2210 1 19 . 1 1 37 37 ASP H H 37 8.339 8.339 8.811 -0.472 19493 2211 1 19 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.479 -0.029 19493 2212 1 19 . 1 1 38 38 LYS H H 38 7.963 7.963 8.050 -0.087 19493 2213 1 19 . 1 1 39 39 THR HA H 39 4.311 4.311 4.456 -0.145 19493 2214 1 19 . 1 1 39 39 THR H H 39 7.944 7.944 7.497 0.447 19493 2215 1 19 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.625 -0.738 19493 2216 1 19 . 1 1 40 40 GLU H H 40 8.409 8.409 8.239 0.170 19493 2217 1 19 . 1 1 41 41 VAL HA H 41 4.050 4.050 3.985 0.065 19493 2218 1 19 . 1 1 41 41 VAL H H 41 8.380 8.380 8.009 0.371 19493 2219 1 19 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.472 0.282 19493 2220 1 19 . 1 1 42 42 CYS H H 42 8.718 8.718 8.863 -0.145 19493 2221 1 19 . 1 1 43 43 SER HA H 43 5.198 5.198 5.408 -0.210 19493 2222 1 19 . 1 1 43 43 SER H H 43 8.833 8.833 9.218 -0.385 19493 2223 1 19 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.491 -0.276 19493 2224 1 19 . 1 1 44 44 CYS H H 44 7.931 7.931 8.855 -0.924 19493 2225 1 19 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.808 -0.153 19493 2226 1 19 . 1 1 45 45 GLN H H 45 9.842 9.842 9.248 0.594 19493 2227 1 19 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.618 0.109 19493 2228 1 19 . 1 1 46 46 GLN H H 46 8.887 8.887 8.655 0.232 19493 2229 1 19 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.293 0.097 19493 2230 1 19 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.457 -0.215 19493 2231 1 19 . 1 1 48 48 LYS H H 48 8.376 8.376 7.985 0.391 19493 2232 1 19 . 1 1 49 49 SER HA H 49 4.343 4.343 4.304 0.039 19493 2233 1 19 . 1 1 49 49 SER H H 49 8.187 8.187 8.863 -0.676 19493 2234 1 19 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.778 -0.101 19493 2235 1 19 . 1 1 50 50 HIS H H 50 8.496 8.496 7.854 0.642 19493 2236 1 19 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.530 -0.266 19493 2237 1 19 . 1 1 51 51 LYS H H 51 8.287 8.287 8.409 -0.122 19493 2238 1 19 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.119 -0.019 19493 2239 1 19 . 1 1 52 52 ILE H H 52 8.173 8.173 8.152 0.021 19493 2240 1 19 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.358 -0.074 19493 2241 1 19 . 1 1 53 53 ALA H H 53 8.322 8.322 8.342 -0.020 19493 2242 1 19 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.466 -0.194 19493 2243 1 19 . 1 1 54 54 GLU H H 54 8.206 8.206 8.510 -0.304 19493 2244 1 19 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.463 -0.193 19493 2245 1 19 . 1 1 55 55 LYS H H 55 8.287 8.287 8.383 -0.096 19493 2246 1 19 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.097 0.011 19493 2247 1 19 . 1 1 56 56 ILE H H 56 8.157 8.157 8.441 -0.284 19493 2248 1 19 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.129 -0.007 19493 2249 1 19 . 1 1 57 57 ILE H H 57 8.192 8.192 8.264 -0.072 19493 2250 1 19 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.514 0.126 19493 2251 1 19 . 1 1 58 58 ASP H H 58 8.408 8.408 8.360 0.048 19493 2252 1 19 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.459 -0.241 19493 2253 1 19 . 1 1 59 59 LYS H H 59 8.254 8.254 8.343 -0.089 19493 2254 1 19 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.519 -0.257 19493 2255 1 19 . 1 1 60 60 ALA H H 60 8.183 8.183 8.083 0.100 19493 2256 1 19 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.028 0.307 19493 2257 1 19 . 1 1 61 61 LYS H H 61 8.175 8.175 8.498 -0.323 19493 2258 1 19 . 1 1 62 62 THR HA H 62 4.374 4.374 4.107 0.267 19493 2259 1 19 . 1 1 62 62 THR H H 62 8.105 8.105 8.127 -0.022 19493 2260 1 19 . 1 1 63 63 THR HA H 63 4.334 4.334 4.410 -0.076 19493 2261 1 19 . 1 1 63 63 THR H H 63 8.068 8.068 7.584 0.484 19493 2262 1 20 . 1 1 2 2 LYS HA H 2 4.288 4.288 4.454 -0.166 19493 2263 1 20 . 1 1 2 2 LYS H H 2 8.518 8.518 8.503 0.015 19493 2264 1 20 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.610 -0.223 19493 2265 1 20 . 1 1 3 3 ALA H H 3 8.409 8.409 8.575 -0.166 19493 2266 1 20 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.214 -0.355 19493 2267 1 20 . 1 1 4 4 CYS H H 4 8.191 8.191 7.746 0.445 19493 2268 1 20 . 1 1 5 5 THR HA H 5 4.447 4.447 4.398 0.049 19493 2269 1 20 . 1 1 5 5 THR H H 5 9.026 9.026 8.322 0.704 19493 2270 1 20 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.352 -0.112 19493 2271 1 20 . 1 1 7 7 LEU HA H 7 3.203 3.203 3.798 -0.595 19493 2272 1 20 . 1 1 7 7 LEU H H 7 7.703 7.703 7.366 0.337 19493 2273 1 20 . 1 1 8 8 LEU HA H 8 3.822 3.822 3.991 -0.169 19493 2274 1 20 . 1 1 8 8 LEU H H 8 9.450 9.450 8.711 0.739 19493 2275 1 20 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.757 -0.038 19493 2276 1 20 . 1 1 9 9 HIS H H 9 8.125 8.125 7.755 0.370 19493 2277 1 20 . 1 1 10 10 ASP HA H 10 4.851 4.851 4.963 -0.112 19493 2278 1 20 . 1 1 10 10 ASP H H 10 8.368 8.368 8.516 -0.148 19493 2279 1 20 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.949 0.170 19493 2280 1 20 . 1 1 11 11 CYS H H 11 8.035 8.035 8.373 -0.338 19493 2281 1 20 . 1 1 12 12 SER HA H 12 4.698 4.698 4.156 0.542 19493 2282 1 20 . 1 1 12 12 SER H H 12 8.785 8.785 8.276 0.509 19493 2283 1 20 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.388 0.234 19493 2284 1 20 . 1 1 13 13 HIS H H 13 8.595 8.595 8.503 0.092 19493 2285 1 20 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.887 -0.212 19493 2286 1 20 . 1 1 14 14 ASP H H 14 7.284 7.284 8.007 -0.723 19493 2287 1 20 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.345 0.327 19493 2288 1 20 . 1 1 15 15 ARG H H 15 9.017 9.017 8.664 0.353 19493 2289 1 20 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.699 0.343 19493 2290 1 20 . 1 1 16 16 HIS H H 16 8.529 8.529 8.296 0.233 19493 2291 1 20 . 1 1 17 17 SER HA H 17 4.472 4.472 4.487 -0.015 19493 2292 1 20 . 1 1 17 17 SER H H 17 7.481 7.481 7.906 -0.425 19493 2293 1 20 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.642 0.410 19493 2294 1 20 . 1 1 18 18 CYS H H 18 8.713 8.713 7.667 1.046 19493 2295 1 20 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.618 -0.141 19493 2296 1 20 . 1 1 19 19 CYS H H 19 8.935 8.935 8.675 0.260 19493 2297 1 20 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.642 -0.480 19493 2298 1 20 . 1 1 20 20 ARG H H 20 8.186 8.186 8.531 -0.345 19493 2299 1 20 . 1 1 21 21 GLY H H 21 7.686 7.686 8.355 -0.669 19493 2300 1 20 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.558 -0.259 19493 2301 1 20 . 1 1 22 22 ASP H H 22 8.447 8.447 8.345 0.102 19493 2302 1 20 . 1 1 23 23 MET HA H 23 4.354 4.354 4.421 -0.067 19493 2303 1 20 . 1 1 23 23 MET H H 23 8.219 8.219 7.916 0.303 19493 2304 1 20 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.588 0.154 19493 2305 1 20 . 1 1 24 24 PHE H H 24 7.225 7.225 8.070 -0.845 19493 2306 1 20 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.477 -0.386 19493 2307 1 20 . 1 1 25 25 LYS H H 25 8.502 8.502 8.309 0.193 19493 2308 1 20 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.889 0.168 19493 2309 1 20 . 1 1 26 26 TYR H H 26 7.625 7.625 7.893 -0.268 19493 2310 1 20 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.587 -0.130 19493 2311 1 20 . 1 1 27 27 VAL H H 27 9.082 9.082 8.833 0.249 19493 2312 1 20 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.281 -0.588 19493 2313 1 20 . 1 1 28 28 CYS H H 28 8.824 8.824 8.972 -0.148 19493 2314 1 20 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.887 0.046 19493 2315 1 20 . 1 1 29 29 ASP H H 29 8.615 8.615 8.916 -0.301 19493 2316 1 20 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.283 0.497 19493 2317 1 20 . 1 1 30 30 CYS H H 30 8.562 8.562 8.549 0.013 19493 2318 1 20 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.949 -0.194 19493 2319 1 20 . 1 1 31 31 PHE H H 31 9.083 9.083 8.383 0.700 19493 2320 1 20 . 1 1 32 32 TYR HA H 32 4.938 4.938 5.111 -0.173 19493 2321 1 20 . 1 1 32 32 TYR H H 32 8.682 8.682 8.711 -0.029 19493 2322 1 20 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.589 -0.107 19493 2323 1 20 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.238 0.062 19493 2324 1 20 . 1 1 34 34 GLU H H 34 8.529 8.529 8.749 -0.220 19493 2325 1 20 . 1 1 35 35 GLY H H 35 8.253 8.253 7.807 0.446 19493 2326 1 20 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.214 -0.000 19493 2327 1 20 . 1 1 36 36 GLU H H 36 8.174 8.174 8.287 -0.113 19493 2328 1 20 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.739 -0.232 19493 2329 1 20 . 1 1 37 37 ASP H H 37 8.339 8.339 8.669 -0.330 19493 2330 1 20 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.399 0.051 19493 2331 1 20 . 1 1 38 38 LYS H H 38 7.963 7.963 7.959 0.004 19493 2332 1 20 . 1 1 39 39 THR HA H 39 4.311 4.311 4.395 -0.084 19493 2333 1 20 . 1 1 39 39 THR H H 39 7.944 7.944 8.078 -0.134 19493 2334 1 20 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.467 -0.580 19493 2335 1 20 . 1 1 40 40 GLU H H 40 8.409 8.409 8.484 -0.075 19493 2336 1 20 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.062 -0.012 19493 2337 1 20 . 1 1 41 41 VAL H H 41 8.380 8.380 8.707 -0.327 19493 2338 1 20 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.334 0.420 19493 2339 1 20 . 1 1 42 42 CYS H H 42 8.718 8.718 8.851 -0.133 19493 2340 1 20 . 1 1 43 43 SER HA H 43 5.198 5.198 5.287 -0.089 19493 2341 1 20 . 1 1 43 43 SER H H 43 8.833 8.833 9.208 -0.375 19493 2342 1 20 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.576 -0.361 19493 2343 1 20 . 1 1 44 44 CYS H H 44 7.931 7.931 8.893 -0.962 19493 2344 1 20 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.798 -0.143 19493 2345 1 20 . 1 1 45 45 GLN H H 45 9.842 9.842 9.134 0.708 19493 2346 1 20 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.777 -0.050 19493 2347 1 20 . 1 1 46 46 GLN H H 46 8.887 8.887 8.677 0.210 19493 2348 1 20 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.403 -0.013 19493 2349 1 20 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.161 0.081 19493 2350 1 20 . 1 1 48 48 LYS H H 48 8.376 8.376 8.248 0.128 19493 2351 1 20 . 1 1 49 49 SER HA H 49 4.343 4.343 4.355 -0.012 19493 2352 1 20 . 1 1 49 49 SER H H 49 8.187 8.187 8.348 -0.161 19493 2353 1 20 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.775 -0.098 19493 2354 1 20 . 1 1 50 50 HIS H H 50 8.496 8.496 8.611 -0.115 19493 2355 1 20 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.737 -0.473 19493 2356 1 20 . 1 1 51 51 LYS H H 51 8.287 8.287 8.351 -0.064 19493 2357 1 20 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.034 0.066 19493 2358 1 20 . 1 1 52 52 ILE H H 52 8.173 8.173 8.308 -0.135 19493 2359 1 20 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.446 -0.162 19493 2360 1 20 . 1 1 53 53 ALA H H 53 8.322 8.322 8.264 0.058 19493 2361 1 20 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.400 -0.128 19493 2362 1 20 . 1 1 54 54 GLU H H 54 8.206 8.206 8.396 -0.190 19493 2363 1 20 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.167 0.103 19493 2364 1 20 . 1 1 55 55 LYS H H 55 8.287 8.287 8.293 -0.006 19493 2365 1 20 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.086 0.022 19493 2366 1 20 . 1 1 56 56 ILE H H 56 8.157 8.157 8.177 -0.020 19493 2367 1 20 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.273 -0.151 19493 2368 1 20 . 1 1 57 57 ILE H H 57 8.192 8.192 8.036 0.156 19493 2369 1 20 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.528 0.112 19493 2370 1 20 . 1 1 58 58 ASP H H 58 8.408 8.408 8.453 -0.045 19493 2371 1 20 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.357 -0.139 19493 2372 1 20 . 1 1 59 59 LYS H H 59 8.254 8.254 8.409 -0.155 19493 2373 1 20 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.123 0.139 19493 2374 1 20 . 1 1 60 60 ALA H H 60 8.183 8.183 8.398 -0.215 19493 2375 1 20 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.396 -0.061 19493 2376 1 20 . 1 1 61 61 LYS H H 61 8.175 8.175 7.880 0.295 19493 2377 1 20 . 1 1 62 62 THR HA H 62 4.374 4.374 4.466 -0.092 19493 2378 1 20 . 1 1 62 62 THR H H 62 8.105 8.105 8.421 -0.316 19493 2379 1 20 . 1 1 63 63 THR HA H 63 4.334 4.334 4.305 0.029 19493 2380 1 20 . 1 1 63 63 THR H H 63 8.068 8.068 7.676 0.392 19493 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 19493 2 1 1 "Average Difference" HA 64 0.308 0.040 0.308 19493 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19493 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19493 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19493 6 1 1 "Average Difference" HN 59 0.395 -0.085 0.389 19493 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19493 8 1 2 "Average Difference" HA 64 0.337 0.088 0.328 19493 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19493 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19493 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19493 12 1 2 "Average Difference" HN 59 0.404 -0.023 0.407 19493 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19493 14 1 3 "Average Difference" HA 64 0.362 0.063 0.360 19493 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19493 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19493 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19493 18 1 3 "Average Difference" HN 59 0.406 -0.027 0.408 19493 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19493 20 1 4 "Average Difference" HA 64 0.294 0.039 0.294 19493 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19493 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19493 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19493 24 1 4 "Average Difference" HN 59 0.385 -0.038 0.386 19493 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19493 26 1 5 "Average Difference" HA 64 0.347 0.059 0.344 19493 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19493 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19493 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19493 30 1 5 "Average Difference" HN 59 0.419 -0.037 0.421 19493 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19493 32 1 6 "Average Difference" HA 64 0.326 0.056 0.324 19493 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19493 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19493 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19493 36 1 6 "Average Difference" HN 59 0.399 -0.041 0.400 19493 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19493 38 1 7 "Average Difference" HA 64 0.335 0.040 0.335 19493 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19493 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19493 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19493 42 1 7 "Average Difference" HN 59 0.417 -0.058 0.416 19493 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19493 44 1 8 "Average Difference" HA 64 0.328 0.060 0.325 19493 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19493 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19493 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19493 48 1 8 "Average Difference" HN 59 0.382 -0.038 0.383 19493 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19493 50 1 9 "Average Difference" HA 64 0.365 0.079 0.359 19493 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19493 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19493 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19493 54 1 9 "Average Difference" HN 59 0.404 -0.043 0.405 19493 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19493 56 1 10 "Average Difference" HA 64 0.336 0.055 0.334 19493 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19493 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19493 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19493 60 1 10 "Average Difference" HN 59 0.388 0.007 0.391 19493 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19493 62 1 11 "Average Difference" HA 64 0.331 0.061 0.328 19493 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19493 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19493 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19493 66 1 11 "Average Difference" HN 59 0.430 -0.022 0.433 19493 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19493 68 1 12 "Average Difference" HA 64 0.331 0.051 0.330 19493 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19493 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19493 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19493 72 1 12 "Average Difference" HN 59 0.423 -0.052 0.424 19493 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19493 74 1 13 "Average Difference" HA 64 0.332 0.080 0.324 19493 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19493 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19493 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19493 78 1 13 "Average Difference" HN 59 0.385 -0.029 0.387 19493 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19493 80 1 14 "Average Difference" HA 64 0.294 0.075 0.286 19493 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19493 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19493 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19493 84 1 14 "Average Difference" HN 59 0.381 -0.062 0.379 19493 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19493 86 1 15 "Average Difference" HA 64 0.370 0.085 0.362 19493 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19493 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19493 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19493 90 1 15 "Average Difference" HN 59 0.415 -0.036 0.417 19493 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19493 92 1 16 "Average Difference" HA 64 0.343 0.065 0.340 19493 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19493 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19493 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19493 96 1 16 "Average Difference" HN 59 0.405 -0.045 0.406 19493 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19493 98 1 17 "Average Difference" HA 64 0.326 0.035 0.327 19493 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19493 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19493 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19493 102 1 17 "Average Difference" HN 59 0.402 -0.043 0.403 19493 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19493 104 1 18 "Average Difference" HA 64 0.356 0.091 0.347 19493 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19493 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19493 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19493 108 1 18 "Average Difference" HN 59 0.423 -0.018 0.426 19493 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19493 110 1 19 "Average Difference" HA 64 0.360 0.088 0.352 19493 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19493 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19493 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19493 114 1 19 "Average Difference" HN 59 0.425 -0.041 0.426 19493 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19493 116 1 20 "Average Difference" HA 64 0.255 0.057 0.250 19493 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19493 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19493 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19493 120 1 20 "Average Difference" HN 59 0.386 -0.010 0.390 19493 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 19493 _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 LYS HA H 2 4.288 4.288 4.336 -0.048 19493 2 1 . 1 1 2 2 LYS H H 2 8.518 8.518 8.274 0.244 19493 3 1 . 1 1 3 3 ALA HA H 3 4.387 4.387 4.399 -0.012 19493 4 1 . 1 1 3 3 ALA H H 3 8.409 8.409 8.371 0.038 19493 5 1 . 1 1 4 4 CYS HA H 4 4.859 4.859 5.025 -0.166 19493 6 1 . 1 1 4 4 CYS H H 4 8.191 8.191 7.686 0.505 19493 7 1 . 1 1 5 5 THR HA H 5 4.447 4.447 4.371 0.076 19493 8 1 . 1 1 5 5 THR H H 5 9.026 9.026 8.327 0.699 19493 9 1 . 1 1 6 6 PRO HA H 6 4.240 4.240 4.125 0.115 19493 10 1 . 1 1 7 7 LEU HA H 7 3.203 3.203 4.342 -1.139 19493 11 1 . 1 1 7 7 LEU H H 7 7.703 7.703 8.116 -0.413 19493 12 1 . 1 1 8 8 LEU HA H 8 3.822 3.822 4.067 -0.245 19493 13 1 . 1 1 8 8 LEU H H 8 9.450 9.450 8.872 0.578 19493 14 1 . 1 1 9 9 HIS HA H 9 4.719 4.719 4.824 -0.105 19493 15 1 . 1 1 9 9 HIS H H 9 8.125 8.125 7.840 0.285 19493 16 1 . 1 1 10 10 ASP HA H 10 4.851 4.851 5.124 -0.273 19493 17 1 . 1 1 10 10 ASP H H 10 8.368 8.368 8.541 -0.173 19493 18 1 . 1 1 11 11 CYS HA H 11 5.119 5.119 4.913 0.206 19493 19 1 . 1 1 11 11 CYS H H 11 8.035 8.035 8.367 -0.332 19493 20 1 . 1 1 12 12 SER HA H 12 4.698 4.698 4.062 0.636 19493 21 1 . 1 1 12 12 SER H H 12 8.785 8.785 8.256 0.529 19493 22 1 . 1 1 13 13 HIS HA H 13 4.622 4.622 4.364 0.258 19493 23 1 . 1 1 13 13 HIS H H 13 8.595 8.595 8.381 0.214 19493 24 1 . 1 1 14 14 ASP HA H 14 4.675 4.675 4.752 -0.077 19493 25 1 . 1 1 14 14 ASP H H 14 7.284 7.284 7.746 -0.462 19493 26 1 . 1 1 15 15 ARG HA H 15 4.672 4.672 4.211 0.461 19493 27 1 . 1 1 15 15 ARG H H 15 9.017 9.017 8.618 0.399 19493 28 1 . 1 1 16 16 HIS HA H 16 5.042 5.042 4.708 0.334 19493 29 1 . 1 1 16 16 HIS H H 16 8.529 8.529 8.213 0.316 19493 30 1 . 1 1 17 17 SER HA H 17 4.472 4.472 4.509 -0.037 19493 31 1 . 1 1 17 17 SER H H 17 7.481 7.481 7.866 -0.385 19493 32 1 . 1 1 18 18 CYS HA H 18 5.052 5.052 4.432 0.620 19493 33 1 . 1 1 18 18 CYS H H 18 8.713 8.713 7.603 1.110 19493 34 1 . 1 1 19 19 CYS HA H 19 4.477 4.477 4.612 -0.135 19493 35 1 . 1 1 19 19 CYS H H 19 8.935 8.935 8.377 0.558 19493 36 1 . 1 1 20 20 ARG HA H 20 4.162 4.162 4.785 -0.623 19493 37 1 . 1 1 20 20 ARG H H 20 8.186 8.186 8.495 -0.309 19493 38 1 . 1 1 21 21 GLY H H 21 7.686 7.686 8.074 -0.388 19493 39 1 . 1 1 22 22 ASP HA H 22 4.299 4.299 4.537 -0.238 19493 40 1 . 1 1 22 22 ASP H H 22 8.447 8.447 8.378 0.069 19493 41 1 . 1 1 23 23 MET HA H 23 4.354 4.354 4.452 -0.098 19493 42 1 . 1 1 23 23 MET H H 23 8.219 8.219 7.809 0.410 19493 43 1 . 1 1 24 24 PHE HA H 24 4.742 4.742 4.634 0.108 19493 44 1 . 1 1 24 24 PHE H H 24 7.225 7.225 7.695 -0.470 19493 45 1 . 1 1 25 25 LYS HA H 25 4.091 4.091 4.663 -0.572 19493 46 1 . 1 1 25 25 LYS H H 25 8.502 8.502 8.432 0.070 19493 47 1 . 1 1 26 26 TYR HA H 26 5.057 5.057 4.783 0.274 19493 48 1 . 1 1 26 26 TYR H H 26 7.625 7.625 8.488 -0.863 19493 49 1 . 1 1 27 27 VAL HA H 27 4.457 4.457 4.558 -0.101 19493 50 1 . 1 1 27 27 VAL H H 27 9.082 9.082 8.831 0.251 19493 51 1 . 1 1 28 28 CYS HA H 28 4.693 4.693 5.409 -0.716 19493 52 1 . 1 1 28 28 CYS H H 28 8.824 8.824 8.856 -0.032 19493 53 1 . 1 1 29 29 ASP HA H 29 4.933 4.933 4.995 -0.062 19493 54 1 . 1 1 29 29 ASP H H 29 8.615 8.615 8.766 -0.151 19493 55 1 . 1 1 30 30 CYS HA H 30 5.780 5.780 5.287 0.493 19493 56 1 . 1 1 30 30 CYS H H 30 8.562 8.562 8.635 -0.074 19493 57 1 . 1 1 31 31 PHE HA H 31 4.755 4.755 4.918 -0.163 19493 58 1 . 1 1 31 31 PHE H H 31 9.083 9.083 8.482 0.601 19493 59 1 . 1 1 32 32 TYR HA H 32 4.938 4.938 4.985 -0.047 19493 60 1 . 1 1 32 32 TYR H H 32 8.682 8.682 8.524 0.158 19493 61 1 . 1 1 33 33 PRO HA H 33 4.482 4.482 4.548 -0.066 19493 62 1 . 1 1 34 34 GLU HA H 34 4.300 4.300 4.134 0.166 19493 63 1 . 1 1 34 34 GLU H H 34 8.529 8.529 8.644 -0.115 19493 64 1 . 1 1 35 35 GLY H H 35 8.253 8.253 7.945 0.308 19493 65 1 . 1 1 36 36 GLU HA H 36 4.214 4.214 4.400 -0.186 19493 66 1 . 1 1 36 36 GLU H H 36 8.174 8.174 8.191 -0.017 19493 67 1 . 1 1 37 37 ASP HA H 37 4.507 4.507 4.768 -0.261 19493 68 1 . 1 1 37 37 ASP H H 37 8.339 8.339 8.669 -0.330 19493 69 1 . 1 1 38 38 LYS HA H 38 4.450 4.450 4.482 -0.032 19493 70 1 . 1 1 38 38 LYS H H 38 7.963 7.963 7.956 0.007 19493 71 1 . 1 1 39 39 THR HA H 39 4.311 4.311 4.472 -0.161 19493 72 1 . 1 1 39 39 THR H H 39 7.944 7.944 7.733 0.211 19493 73 1 . 1 1 40 40 GLU HA H 40 3.887 3.887 4.493 -0.606 19493 74 1 . 1 1 40 40 GLU H H 40 8.409 8.409 8.430 -0.021 19493 75 1 . 1 1 41 41 VAL HA H 41 4.050 4.050 4.051 -0.001 19493 76 1 . 1 1 41 41 VAL H H 41 8.380 8.380 8.498 -0.118 19493 77 1 . 1 1 42 42 CYS HA H 42 5.754 5.754 5.385 0.369 19493 78 1 . 1 1 42 42 CYS H H 42 8.718 8.718 8.855 -0.137 19493 79 1 . 1 1 43 43 SER HA H 43 5.198 5.198 5.361 -0.163 19493 80 1 . 1 1 43 43 SER H H 43 8.833 8.833 9.086 -0.253 19493 81 1 . 1 1 44 44 CYS HA H 44 5.215 5.215 5.484 -0.269 19493 82 1 . 1 1 44 44 CYS H H 44 7.931 7.931 8.773 -0.842 19493 83 1 . 1 1 45 45 GLN HA H 45 4.655 4.655 4.805 -0.150 19493 84 1 . 1 1 45 45 GLN H H 45 9.842 9.842 9.234 0.608 19493 85 1 . 1 1 46 46 GLN HA H 46 4.727 4.727 4.669 0.058 19493 86 1 . 1 1 46 46 GLN H H 46 8.887 8.887 8.646 0.241 19493 87 1 . 1 1 47 47 PRO HA H 47 4.390 4.390 4.313 0.077 19493 88 1 . 1 1 48 48 LYS HA H 48 4.242 4.242 4.316 -0.074 19493 89 1 . 1 1 48 48 LYS H H 48 8.376 8.376 7.983 0.393 19493 90 1 . 1 1 49 49 SER HA H 49 4.343 4.343 4.548 -0.205 19493 91 1 . 1 1 49 49 SER H H 49 8.187 8.187 8.477 -0.290 19493 92 1 . 1 1 50 50 HIS HA H 50 4.677 4.677 4.555 0.122 19493 93 1 . 1 1 50 50 HIS H H 50 8.496 8.496 8.309 0.187 19493 94 1 . 1 1 51 51 LYS HA H 51 4.264 4.264 4.353 -0.089 19493 95 1 . 1 1 51 51 LYS H H 51 8.287 8.287 8.093 0.194 19493 96 1 . 1 1 52 52 ILE HA H 52 4.100 4.100 4.095 0.005 19493 97 1 . 1 1 52 52 ILE H H 52 8.173 8.173 8.154 0.019 19493 98 1 . 1 1 53 53 ALA HA H 53 4.284 4.284 4.372 -0.088 19493 99 1 . 1 1 53 53 ALA H H 53 8.322 8.322 8.321 0.001 19493 100 1 . 1 1 54 54 GLU HA H 54 4.272 4.272 4.391 -0.119 19493 101 1 . 1 1 54 54 GLU H H 54 8.206 8.206 8.408 -0.202 19493 102 1 . 1 1 55 55 LYS HA H 55 4.270 4.270 4.341 -0.071 19493 103 1 . 1 1 55 55 LYS H H 55 8.287 8.287 8.338 -0.051 19493 104 1 . 1 1 56 56 ILE HA H 56 4.108 4.108 4.251 -0.143 19493 105 1 . 1 1 56 56 ILE H H 56 8.157 8.157 8.205 -0.048 19493 106 1 . 1 1 57 57 ILE HA H 57 4.122 4.122 4.243 -0.121 19493 107 1 . 1 1 57 57 ILE H H 57 8.192 8.192 8.280 -0.088 19493 108 1 . 1 1 58 58 ASP HA H 58 4.640 4.640 4.646 -0.006 19493 109 1 . 1 1 58 58 ASP H H 58 8.408 8.408 8.413 -0.005 19493 110 1 . 1 1 59 59 LYS HA H 59 4.218 4.218 4.381 -0.163 19493 111 1 . 1 1 59 59 LYS H H 59 8.254 8.254 8.327 -0.073 19493 112 1 . 1 1 60 60 ALA HA H 60 4.262 4.262 4.364 -0.102 19493 113 1 . 1 1 60 60 ALA H H 60 8.183 8.183 8.278 -0.095 19493 114 1 . 1 1 61 61 LYS HA H 61 4.335 4.335 4.359 -0.024 19493 115 1 . 1 1 61 61 LYS H H 61 8.175 8.175 8.207 -0.032 19493 116 1 . 1 1 62 62 THR HA H 62 4.374 4.374 4.395 -0.021 19493 117 1 . 1 1 62 62 THR H H 62 8.105 8.105 8.269 -0.164 19493 118 1 . 1 1 63 63 THR HA H 63 4.334 4.334 4.371 -0.037 19493 119 1 . 1 1 63 63 THR H H 63 8.068 8.068 8.156 -0.088 19493 stop_ save_