data_25946 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25946 _Entry.PDB_ID 2NAT 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 25946 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.617 0.091 25946 2 1 1 . 1 1 2 2 TYR H H 2 8.901 8.901 8.107 0.794 25946 3 1 1 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.134 0.340 25946 4 1 1 . 1 1 3 3 GLU H H 3 8.555 8.555 8.281 0.274 25946 5 1 1 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.220 0.065 25946 6 1 1 . 1 1 4 4 ILE H H 4 8.495 8.495 7.784 0.711 25946 7 1 1 . 1 1 5 5 THR HA H 5 4.544 4.544 3.876 0.668 25946 8 1 1 . 1 1 5 5 THR H H 5 8.460 8.460 7.922 0.538 25946 9 1 1 . 1 1 6 6 THR HA H 6 4.461 4.461 4.416 0.045 25946 10 1 1 . 1 1 6 6 THR H H 6 8.376 8.376 7.470 0.906 25946 11 1 1 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.296 0.932 25946 12 1 1 . 1 1 7 7 ILE H H 7 8.290 8.290 7.848 0.442 25946 13 1 1 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.220 0.628 25946 14 1 1 . 1 1 8 8 HIS H H 8 8.793 8.793 7.875 0.918 25946 15 1 1 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.367 0.420 25946 16 1 1 . 1 1 9 9 ASN H H 9 8.659 8.659 8.045 0.614 25946 17 1 1 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.299 0.078 25946 18 1 1 . 1 1 10 10 LEU H H 10 8.448 8.448 7.288 1.160 25946 19 1 1 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.522 0.180 25946 20 1 1 . 1 1 11 11 PHE H H 11 8.549 8.549 8.069 0.480 25946 21 1 1 . 1 1 12 12 ARG HA H 12 4.374 4.374 3.937 0.437 25946 22 1 1 . 1 1 12 12 ARG H H 12 8.233 8.233 8.711 -0.478 25946 23 1 1 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.205 0.166 25946 24 1 1 . 1 1 13 13 LYS H H 13 8.466 8.466 7.756 0.710 25946 25 1 1 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.593 -0.049 25946 26 1 1 . 1 1 14 14 LEU H H 14 8.552 8.552 8.129 0.423 25946 27 1 1 . 1 1 15 15 THR HA H 15 4.416 4.416 3.058 1.358 25946 28 1 1 . 1 1 15 15 THR H H 15 8.307 8.307 8.025 0.282 25946 29 1 1 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.605 0.240 25946 30 1 1 . 1 1 16 16 HIS H H 16 8.698 8.698 7.485 1.213 25946 31 1 1 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.254 0.138 25946 32 1 1 . 1 1 17 17 ARG H H 17 8.659 8.659 8.691 -0.032 25946 33 1 1 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.609 -0.232 25946 34 1 1 . 1 1 18 18 LEU H H 18 8.474 8.474 7.482 0.992 25946 35 1 1 . 1 1 19 19 PHE HA H 19 4.720 4.720 3.802 0.918 25946 36 1 1 . 1 1 19 19 PHE H H 19 8.394 8.394 7.560 0.834 25946 37 1 1 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.416 -0.036 25946 38 1 1 . 1 1 20 20 ARG H H 20 8.403 8.403 7.862 0.541 25946 39 1 1 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.112 0.173 25946 40 1 1 . 1 1 21 21 ARG H H 21 8.546 8.546 7.944 0.602 25946 41 1 1 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.807 -0.063 25946 42 1 1 . 1 1 22 22 ASN H H 22 8.659 8.659 8.411 0.248 25946 43 1 1 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.995 -0.325 25946 44 1 1 . 1 1 23 23 PHE H H 23 8.412 8.412 8.034 0.378 25946 45 1 1 . 1 1 24 24 GLY H H 24 8.477 8.477 8.331 0.146 25946 46 1 1 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.848 -0.065 25946 47 1 1 . 1 1 25 25 TYR H H 25 8.182 8.182 8.299 -0.117 25946 48 1 1 . 1 1 26 26 THR HA H 26 4.416 4.416 4.428 -0.012 25946 49 1 1 . 1 1 26 26 THR H H 26 8.307 8.307 8.839 -0.532 25946 50 1 1 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.489 -0.001 25946 51 1 1 . 1 1 27 27 LEU H H 27 8.436 8.436 7.661 0.775 25946 52 1 2 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.629 0.079 25946 53 1 2 . 1 1 2 2 TYR H H 2 8.901 8.901 8.060 0.841 25946 54 1 2 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.104 0.370 25946 55 1 2 . 1 1 3 3 GLU H H 3 8.555 8.555 8.210 0.345 25946 56 1 2 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.116 0.169 25946 57 1 2 . 1 1 4 4 ILE H H 4 8.495 8.495 7.793 0.702 25946 58 1 2 . 1 1 5 5 THR HA H 5 4.544 4.544 3.872 0.672 25946 59 1 2 . 1 1 5 5 THR H H 5 8.460 8.460 8.023 0.437 25946 60 1 2 . 1 1 6 6 THR HA H 6 4.461 4.461 4.439 0.022 25946 61 1 2 . 1 1 6 6 THR H H 6 8.376 8.376 7.463 0.913 25946 62 1 2 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.296 0.932 25946 63 1 2 . 1 1 7 7 ILE H H 7 8.290 8.290 7.844 0.446 25946 64 1 2 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.212 0.636 25946 65 1 2 . 1 1 8 8 HIS H H 8 8.793 8.793 7.851 0.942 25946 66 1 2 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.362 0.425 25946 67 1 2 . 1 1 9 9 ASN H H 9 8.659 8.659 8.018 0.641 25946 68 1 2 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.310 0.067 25946 69 1 2 . 1 1 10 10 LEU H H 10 8.448 8.448 7.288 1.160 25946 70 1 2 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.548 0.154 25946 71 1 2 . 1 1 11 11 PHE H H 11 8.549 8.549 8.164 0.385 25946 72 1 2 . 1 1 12 12 ARG HA H 12 4.374 4.374 3.925 0.449 25946 73 1 2 . 1 1 12 12 ARG H H 12 8.233 8.233 8.742 -0.509 25946 74 1 2 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.221 0.150 25946 75 1 2 . 1 1 13 13 LYS H H 13 8.466 8.466 7.822 0.644 25946 76 1 2 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.581 -0.037 25946 77 1 2 . 1 1 14 14 LEU H H 14 8.552 8.552 8.101 0.451 25946 78 1 2 . 1 1 15 15 THR HA H 15 4.416 4.416 2.846 1.570 25946 79 1 2 . 1 1 15 15 THR H H 15 8.307 8.307 8.037 0.270 25946 80 1 2 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.641 0.204 25946 81 1 2 . 1 1 16 16 HIS H H 16 8.698 8.698 7.517 1.181 25946 82 1 2 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.240 0.152 25946 83 1 2 . 1 1 17 17 ARG H H 17 8.659 8.659 8.546 0.113 25946 84 1 2 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.627 -0.250 25946 85 1 2 . 1 1 18 18 LEU H H 18 8.474 8.474 7.429 1.045 25946 86 1 2 . 1 1 19 19 PHE HA H 19 4.720 4.720 3.860 0.860 25946 87 1 2 . 1 1 19 19 PHE H H 19 8.394 8.394 7.622 0.772 25946 88 1 2 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.403 -0.023 25946 89 1 2 . 1 1 20 20 ARG H H 20 8.403 8.403 7.820 0.583 25946 90 1 2 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.087 0.198 25946 91 1 2 . 1 1 21 21 ARG H H 21 8.546 8.546 7.869 0.677 25946 92 1 2 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.787 -0.043 25946 93 1 2 . 1 1 22 22 ASN H H 22 8.659 8.659 8.287 0.372 25946 94 1 2 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.927 -0.257 25946 95 1 2 . 1 1 23 23 PHE H H 23 8.412 8.412 7.989 0.423 25946 96 1 2 . 1 1 24 24 GLY H H 24 8.477 8.477 8.221 0.256 25946 97 1 2 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.865 -0.082 25946 98 1 2 . 1 1 25 25 TYR H H 25 8.182 8.182 8.316 -0.134 25946 99 1 2 . 1 1 26 26 THR HA H 26 4.416 4.416 4.422 -0.006 25946 100 1 2 . 1 1 26 26 THR H H 26 8.307 8.307 8.791 -0.484 25946 101 1 2 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.435 0.053 25946 102 1 2 . 1 1 27 27 LEU H H 27 8.436 8.436 7.693 0.743 25946 103 1 3 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.617 0.091 25946 104 1 3 . 1 1 2 2 TYR H H 2 8.901 8.901 7.993 0.908 25946 105 1 3 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.120 0.354 25946 106 1 3 . 1 1 3 3 GLU H H 3 8.555 8.555 8.230 0.325 25946 107 1 3 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.082 0.203 25946 108 1 3 . 1 1 4 4 ILE H H 4 8.495 8.495 7.700 0.795 25946 109 1 3 . 1 1 5 5 THR HA H 5 4.544 4.544 3.835 0.709 25946 110 1 3 . 1 1 5 5 THR H H 5 8.460 8.460 8.344 0.116 25946 111 1 3 . 1 1 6 6 THR HA H 6 4.461 4.461 4.494 -0.033 25946 112 1 3 . 1 1 6 6 THR H H 6 8.376 8.376 7.470 0.906 25946 113 1 3 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.298 0.930 25946 114 1 3 . 1 1 7 7 ILE H H 7 8.290 8.290 7.670 0.620 25946 115 1 3 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.183 0.665 25946 116 1 3 . 1 1 8 8 HIS H H 8 8.793 8.793 7.884 0.909 25946 117 1 3 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.368 0.419 25946 118 1 3 . 1 1 9 9 ASN H H 9 8.659 8.659 8.075 0.584 25946 119 1 3 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.274 0.103 25946 120 1 3 . 1 1 10 10 LEU H H 10 8.448 8.448 7.278 1.170 25946 121 1 3 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.440 0.262 25946 122 1 3 . 1 1 11 11 PHE H H 11 8.549 8.549 8.003 0.546 25946 123 1 3 . 1 1 12 12 ARG HA H 12 4.374 4.374 3.958 0.416 25946 124 1 3 . 1 1 12 12 ARG H H 12 8.233 8.233 8.725 -0.492 25946 125 1 3 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.207 0.164 25946 126 1 3 . 1 1 13 13 LYS H H 13 8.466 8.466 7.758 0.708 25946 127 1 3 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.592 -0.048 25946 128 1 3 . 1 1 14 14 LEU H H 14 8.552 8.552 8.140 0.412 25946 129 1 3 . 1 1 15 15 THR HA H 15 4.416 4.416 2.917 1.499 25946 130 1 3 . 1 1 15 15 THR H H 15 8.307 8.307 8.058 0.249 25946 131 1 3 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.600 0.245 25946 132 1 3 . 1 1 16 16 HIS H H 16 8.698 8.698 7.562 1.136 25946 133 1 3 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.307 0.085 25946 134 1 3 . 1 1 17 17 ARG H H 17 8.659 8.659 8.753 -0.094 25946 135 1 3 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.580 -0.203 25946 136 1 3 . 1 1 18 18 LEU H H 18 8.474 8.474 7.478 0.996 25946 137 1 3 . 1 1 19 19 PHE HA H 19 4.720 4.720 3.752 0.968 25946 138 1 3 . 1 1 19 19 PHE H H 19 8.394 8.394 7.543 0.851 25946 139 1 3 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.401 -0.021 25946 140 1 3 . 1 1 20 20 ARG H H 20 8.403 8.403 7.910 0.493 25946 141 1 3 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.134 0.151 25946 142 1 3 . 1 1 21 21 ARG H H 21 8.546 8.546 7.854 0.692 25946 143 1 3 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.825 -0.081 25946 144 1 3 . 1 1 22 22 ASN H H 22 8.659 8.659 8.420 0.239 25946 145 1 3 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.971 -0.301 25946 146 1 3 . 1 1 23 23 PHE H H 23 8.412 8.412 8.006 0.406 25946 147 1 3 . 1 1 24 24 GLY H H 24 8.477 8.477 8.287 0.190 25946 148 1 3 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.820 -0.037 25946 149 1 3 . 1 1 25 25 TYR H H 25 8.182 8.182 8.275 -0.093 25946 150 1 3 . 1 1 26 26 THR HA H 26 4.416 4.416 4.417 -0.001 25946 151 1 3 . 1 1 26 26 THR H H 26 8.307 8.307 8.907 -0.600 25946 152 1 3 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.517 -0.029 25946 153 1 3 . 1 1 27 27 LEU H H 27 8.436 8.436 7.664 0.772 25946 154 1 4 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.664 0.044 25946 155 1 4 . 1 1 2 2 TYR H H 2 8.901 8.901 8.073 0.828 25946 156 1 4 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.118 0.356 25946 157 1 4 . 1 1 3 3 GLU H H 3 8.555 8.555 8.315 0.240 25946 158 1 4 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.220 0.065 25946 159 1 4 . 1 1 4 4 ILE H H 4 8.495 8.495 7.792 0.703 25946 160 1 4 . 1 1 5 5 THR HA H 5 4.544 4.544 3.873 0.671 25946 161 1 4 . 1 1 5 5 THR H H 5 8.460 8.460 7.928 0.532 25946 162 1 4 . 1 1 6 6 THR HA H 6 4.461 4.461 4.441 0.020 25946 163 1 4 . 1 1 6 6 THR H H 6 8.376 8.376 7.495 0.881 25946 164 1 4 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.319 0.909 25946 165 1 4 . 1 1 7 7 ILE H H 7 8.290 8.290 7.862 0.428 25946 166 1 4 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.095 0.753 25946 167 1 4 . 1 1 8 8 HIS H H 8 8.793 8.793 7.819 0.974 25946 168 1 4 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.340 0.447 25946 169 1 4 . 1 1 9 9 ASN H H 9 8.659 8.659 8.004 0.655 25946 170 1 4 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.325 0.052 25946 171 1 4 . 1 1 10 10 LEU H H 10 8.448 8.448 7.345 1.103 25946 172 1 4 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.445 0.257 25946 173 1 4 . 1 1 11 11 PHE H H 11 8.549 8.549 7.923 0.626 25946 174 1 4 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.026 0.348 25946 175 1 4 . 1 1 12 12 ARG H H 12 8.233 8.233 8.762 -0.529 25946 176 1 4 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.216 0.155 25946 177 1 4 . 1 1 13 13 LYS H H 13 8.466 8.466 7.693 0.773 25946 178 1 4 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.571 -0.027 25946 179 1 4 . 1 1 14 14 LEU H H 14 8.552 8.552 7.773 0.779 25946 180 1 4 . 1 1 15 15 THR HA H 15 4.416 4.416 2.487 1.929 25946 181 1 4 . 1 1 15 15 THR H H 15 8.307 8.307 7.758 0.549 25946 182 1 4 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.719 0.126 25946 183 1 4 . 1 1 16 16 HIS H H 16 8.698 8.698 7.254 1.444 25946 184 1 4 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.046 0.346 25946 185 1 4 . 1 1 17 17 ARG H H 17 8.659 8.659 8.450 0.209 25946 186 1 4 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.340 0.037 25946 187 1 4 . 1 1 18 18 LEU H H 18 8.474 8.474 7.414 1.060 25946 188 1 4 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.322 0.398 25946 189 1 4 . 1 1 19 19 PHE H H 19 8.394 8.394 7.540 0.854 25946 190 1 4 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.688 -0.308 25946 191 1 4 . 1 1 20 20 ARG H H 20 8.403 8.403 7.873 0.530 25946 192 1 4 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.162 0.123 25946 193 1 4 . 1 1 21 21 ARG H H 21 8.546 8.546 8.437 0.109 25946 194 1 4 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.844 -0.100 25946 195 1 4 . 1 1 22 22 ASN H H 22 8.659 8.659 8.677 -0.018 25946 196 1 4 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.650 0.020 25946 197 1 4 . 1 1 23 23 PHE H H 23 8.412 8.412 8.134 0.278 25946 198 1 4 . 1 1 24 24 GLY H H 24 8.477 8.477 8.799 -0.322 25946 199 1 4 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.270 0.513 25946 200 1 4 . 1 1 25 25 TYR H H 25 8.182 8.182 8.387 -0.205 25946 201 1 4 . 1 1 26 26 THR HA H 26 4.416 4.416 4.264 0.152 25946 202 1 4 . 1 1 26 26 THR H H 26 8.307 8.307 8.622 -0.315 25946 203 1 4 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.823 -0.335 25946 204 1 4 . 1 1 27 27 LEU H H 27 8.436 8.436 7.788 0.648 25946 205 1 5 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.347 0.361 25946 206 1 5 . 1 1 2 2 TYR H H 2 8.901 8.901 8.567 0.334 25946 207 1 5 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.286 0.188 25946 208 1 5 . 1 1 3 3 GLU H H 3 8.555 8.555 8.386 0.169 25946 209 1 5 . 1 1 4 4 ILE HA H 4 4.285 4.285 3.849 0.436 25946 210 1 5 . 1 1 4 4 ILE H H 4 8.495 8.495 8.031 0.464 25946 211 1 5 . 1 1 5 5 THR HA H 5 4.544 4.544 3.701 0.843 25946 212 1 5 . 1 1 5 5 THR H H 5 8.460 8.460 8.292 0.168 25946 213 1 5 . 1 1 6 6 THR HA H 6 4.461 4.461 4.561 -0.100 25946 214 1 5 . 1 1 6 6 THR H H 6 8.376 8.376 8.056 0.320 25946 215 1 5 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.261 0.967 25946 216 1 5 . 1 1 7 7 ILE H H 7 8.290 8.290 7.875 0.415 25946 217 1 5 . 1 1 8 8 HIS HA H 8 4.848 4.848 3.767 1.081 25946 218 1 5 . 1 1 8 8 HIS H H 8 8.793 8.793 7.695 1.098 25946 219 1 5 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.329 0.458 25946 220 1 5 . 1 1 9 9 ASN H H 9 8.659 8.659 7.981 0.678 25946 221 1 5 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.363 0.014 25946 222 1 5 . 1 1 10 10 LEU H H 10 8.448 8.448 7.340 1.108 25946 223 1 5 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.539 0.163 25946 224 1 5 . 1 1 11 11 PHE H H 11 8.549 8.549 7.730 0.819 25946 225 1 5 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.059 0.315 25946 226 1 5 . 1 1 12 12 ARG H H 12 8.233 8.233 8.913 -0.680 25946 227 1 5 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.298 0.073 25946 228 1 5 . 1 1 13 13 LYS H H 13 8.466 8.466 7.858 0.608 25946 229 1 5 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.677 -0.133 25946 230 1 5 . 1 1 14 14 LEU H H 14 8.552 8.552 7.862 0.690 25946 231 1 5 . 1 1 15 15 THR HA H 15 4.416 4.416 2.657 1.759 25946 232 1 5 . 1 1 15 15 THR H H 15 8.307 8.307 8.028 0.279 25946 233 1 5 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.883 -0.038 25946 234 1 5 . 1 1 16 16 HIS H H 16 8.698 8.698 8.075 0.623 25946 235 1 5 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.276 0.116 25946 236 1 5 . 1 1 17 17 ARG H H 17 8.659 8.659 8.508 0.151 25946 237 1 5 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.222 0.155 25946 238 1 5 . 1 1 18 18 LEU H H 18 8.474 8.474 7.635 0.839 25946 239 1 5 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.027 0.693 25946 240 1 5 . 1 1 19 19 PHE H H 19 8.394 8.394 7.659 0.735 25946 241 1 5 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.578 -0.198 25946 242 1 5 . 1 1 20 20 ARG H H 20 8.403 8.403 7.449 0.955 25946 243 1 5 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.326 -0.041 25946 244 1 5 . 1 1 21 21 ARG H H 21 8.546 8.546 7.893 0.653 25946 245 1 5 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.823 -0.079 25946 246 1 5 . 1 1 22 22 ASN H H 22 8.659 8.659 8.150 0.509 25946 247 1 5 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.926 -0.256 25946 248 1 5 . 1 1 23 23 PHE H H 23 8.412 8.412 8.250 0.162 25946 249 1 5 . 1 1 24 24 GLY H H 24 8.477 8.477 8.100 0.377 25946 250 1 5 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.835 -0.052 25946 251 1 5 . 1 1 25 25 TYR H H 25 8.182 8.182 8.323 -0.141 25946 252 1 5 . 1 1 26 26 THR HA H 26 4.416 4.416 4.428 -0.012 25946 253 1 5 . 1 1 26 26 THR H H 26 8.307 8.307 8.731 -0.424 25946 254 1 5 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.286 0.202 25946 255 1 5 . 1 1 27 27 LEU H H 27 8.436 8.436 7.629 0.807 25946 256 1 6 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.611 0.097 25946 257 1 6 . 1 1 2 2 TYR H H 2 8.901 8.901 8.105 0.796 25946 258 1 6 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.157 0.317 25946 259 1 6 . 1 1 3 3 GLU H H 3 8.555 8.555 8.296 0.259 25946 260 1 6 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.236 0.049 25946 261 1 6 . 1 1 4 4 ILE H H 4 8.495 8.495 7.836 0.659 25946 262 1 6 . 1 1 5 5 THR HA H 5 4.544 4.544 3.869 0.675 25946 263 1 6 . 1 1 5 5 THR H H 5 8.460 8.460 7.921 0.539 25946 264 1 6 . 1 1 6 6 THR HA H 6 4.461 4.461 4.407 0.054 25946 265 1 6 . 1 1 6 6 THR H H 6 8.376 8.376 7.461 0.915 25946 266 1 6 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.281 0.947 25946 267 1 6 . 1 1 7 7 ILE H H 7 8.290 8.290 7.833 0.457 25946 268 1 6 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.082 0.766 25946 269 1 6 . 1 1 8 8 HIS H H 8 8.793 8.793 7.764 1.029 25946 270 1 6 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.339 0.448 25946 271 1 6 . 1 1 9 9 ASN H H 9 8.659 8.659 8.092 0.567 25946 272 1 6 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.297 0.080 25946 273 1 6 . 1 1 10 10 LEU H H 10 8.448 8.448 7.344 1.104 25946 274 1 6 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.571 0.131 25946 275 1 6 . 1 1 11 11 PHE H H 11 8.549 8.549 8.139 0.410 25946 276 1 6 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.046 0.328 25946 277 1 6 . 1 1 12 12 ARG H H 12 8.233 8.233 8.955 -0.722 25946 278 1 6 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.335 0.036 25946 279 1 6 . 1 1 13 13 LYS H H 13 8.466 8.466 7.961 0.505 25946 280 1 6 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.623 -0.079 25946 281 1 6 . 1 1 14 14 LEU H H 14 8.552 8.552 7.889 0.663 25946 282 1 6 . 1 1 15 15 THR HA H 15 4.416 4.416 2.517 1.899 25946 283 1 6 . 1 1 15 15 THR H H 15 8.307 8.307 7.941 0.366 25946 284 1 6 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.800 0.045 25946 285 1 6 . 1 1 16 16 HIS H H 16 8.698 8.698 7.376 1.322 25946 286 1 6 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.238 0.154 25946 287 1 6 . 1 1 17 17 ARG H H 17 8.659 8.659 8.634 0.025 25946 288 1 6 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.535 -0.158 25946 289 1 6 . 1 1 18 18 LEU H H 18 8.474 8.474 7.322 1.152 25946 290 1 6 . 1 1 19 19 PHE HA H 19 4.720 4.720 3.798 0.922 25946 291 1 6 . 1 1 19 19 PHE H H 19 8.394 8.394 8.278 0.116 25946 292 1 6 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.419 -0.039 25946 293 1 6 . 1 1 20 20 ARG H H 20 8.403 8.403 7.782 0.621 25946 294 1 6 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.235 0.050 25946 295 1 6 . 1 1 21 21 ARG H H 21 8.546 8.546 7.597 0.949 25946 296 1 6 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.788 -0.044 25946 297 1 6 . 1 1 22 22 ASN H H 22 8.659 8.659 8.028 0.631 25946 298 1 6 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.913 -0.243 25946 299 1 6 . 1 1 23 23 PHE H H 23 8.412 8.412 7.844 0.568 25946 300 1 6 . 1 1 24 24 GLY H H 24 8.477 8.477 8.133 0.344 25946 301 1 6 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.843 -0.060 25946 302 1 6 . 1 1 25 25 TYR H H 25 8.182 8.182 8.299 -0.117 25946 303 1 6 . 1 1 26 26 THR HA H 26 4.416 4.416 4.366 0.050 25946 304 1 6 . 1 1 26 26 THR H H 26 8.307 8.307 8.851 -0.544 25946 305 1 6 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.467 0.021 25946 306 1 6 . 1 1 27 27 LEU H H 27 8.436 8.436 7.676 0.760 25946 307 1 7 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.427 0.281 25946 308 1 7 . 1 1 2 2 TYR H H 2 8.901 8.901 8.181 0.720 25946 309 1 7 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.068 0.406 25946 310 1 7 . 1 1 3 3 GLU H H 3 8.555 8.555 8.236 0.319 25946 311 1 7 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.221 0.064 25946 312 1 7 . 1 1 4 4 ILE H H 4 8.495 8.495 7.737 0.758 25946 313 1 7 . 1 1 5 5 THR HA H 5 4.544 4.544 3.863 0.681 25946 314 1 7 . 1 1 5 5 THR H H 5 8.460 8.460 7.962 0.498 25946 315 1 7 . 1 1 6 6 THR HA H 6 4.461 4.461 4.494 -0.033 25946 316 1 7 . 1 1 6 6 THR H H 6 8.376 8.376 7.475 0.901 25946 317 1 7 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.294 0.934 25946 318 1 7 . 1 1 7 7 ILE H H 7 8.290 8.290 7.842 0.448 25946 319 1 7 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.211 0.637 25946 320 1 7 . 1 1 8 8 HIS H H 8 8.793 8.793 7.920 0.873 25946 321 1 7 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.388 0.399 25946 322 1 7 . 1 1 9 9 ASN H H 9 8.659 8.659 8.160 0.499 25946 323 1 7 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.298 0.079 25946 324 1 7 . 1 1 10 10 LEU H H 10 8.448 8.448 6.982 1.466 25946 325 1 7 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.636 0.066 25946 326 1 7 . 1 1 11 11 PHE H H 11 8.549 8.549 8.196 0.353 25946 327 1 7 . 1 1 12 12 ARG HA H 12 4.374 4.374 3.903 0.471 25946 328 1 7 . 1 1 12 12 ARG H H 12 8.233 8.233 8.730 -0.497 25946 329 1 7 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.206 0.165 25946 330 1 7 . 1 1 13 13 LYS H H 13 8.466 8.466 7.510 0.956 25946 331 1 7 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.486 0.058 25946 332 1 7 . 1 1 14 14 LEU H H 14 8.552 8.552 8.192 0.360 25946 333 1 7 . 1 1 15 15 THR HA H 15 4.416 4.416 2.669 1.747 25946 334 1 7 . 1 1 15 15 THR H H 15 8.307 8.307 7.893 0.414 25946 335 1 7 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.790 0.055 25946 336 1 7 . 1 1 16 16 HIS H H 16 8.698 8.698 7.590 1.108 25946 337 1 7 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.253 0.139 25946 338 1 7 . 1 1 17 17 ARG H H 17 8.659 8.659 8.625 0.034 25946 339 1 7 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.705 -0.328 25946 340 1 7 . 1 1 18 18 LEU H H 18 8.474 8.474 7.581 0.893 25946 341 1 7 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.932 -0.212 25946 342 1 7 . 1 1 19 19 PHE H H 19 8.394 8.394 7.820 0.574 25946 343 1 7 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.966 -0.586 25946 344 1 7 . 1 1 20 20 ARG H H 20 8.403 8.403 8.005 0.398 25946 345 1 7 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.052 0.233 25946 346 1 7 . 1 1 21 21 ARG H H 21 8.546 8.546 7.972 0.574 25946 347 1 7 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.689 0.055 25946 348 1 7 . 1 1 22 22 ASN H H 22 8.659 8.659 7.955 0.704 25946 349 1 7 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.937 -0.267 25946 350 1 7 . 1 1 23 23 PHE H H 23 8.412 8.412 6.684 1.728 25946 351 1 7 . 1 1 24 24 GLY H H 24 8.477 8.477 8.418 0.059 25946 352 1 7 . 1 1 25 25 TYR HA H 25 4.783 4.783 5.062 -0.279 25946 353 1 7 . 1 1 25 25 TYR H H 25 8.182 8.182 8.070 0.112 25946 354 1 7 . 1 1 26 26 THR HA H 26 4.416 4.416 4.043 0.373 25946 355 1 7 . 1 1 26 26 THR H H 26 8.307 8.307 8.447 -0.140 25946 356 1 7 . 1 1 27 27 LEU HA H 27 4.488 4.488 3.947 0.541 25946 357 1 7 . 1 1 27 27 LEU H H 27 8.436 8.436 8.053 0.383 25946 358 1 8 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.472 0.236 25946 359 1 8 . 1 1 2 2 TYR H H 2 8.901 8.901 8.217 0.684 25946 360 1 8 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.057 0.417 25946 361 1 8 . 1 1 3 3 GLU H H 3 8.555 8.555 8.235 0.320 25946 362 1 8 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.121 0.164 25946 363 1 8 . 1 1 4 4 ILE H H 4 8.495 8.495 7.615 0.880 25946 364 1 8 . 1 1 5 5 THR HA H 5 4.544 4.544 3.794 0.750 25946 365 1 8 . 1 1 5 5 THR H H 5 8.460 8.460 8.178 0.282 25946 366 1 8 . 1 1 6 6 THR HA H 6 4.461 4.461 4.455 0.006 25946 367 1 8 . 1 1 6 6 THR H H 6 8.376 8.376 7.468 0.908 25946 368 1 8 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.328 0.900 25946 369 1 8 . 1 1 7 7 ILE H H 7 8.290 8.290 7.890 0.400 25946 370 1 8 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.173 0.675 25946 371 1 8 . 1 1 8 8 HIS H H 8 8.793 8.793 7.857 0.936 25946 372 1 8 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.357 0.430 25946 373 1 8 . 1 1 9 9 ASN H H 9 8.659 8.659 8.127 0.532 25946 374 1 8 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.318 0.059 25946 375 1 8 . 1 1 10 10 LEU H H 10 8.448 8.448 7.316 1.132 25946 376 1 8 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.511 0.191 25946 377 1 8 . 1 1 11 11 PHE H H 11 8.549 8.549 8.122 0.427 25946 378 1 8 . 1 1 12 12 ARG HA H 12 4.374 4.374 3.925 0.449 25946 379 1 8 . 1 1 12 12 ARG H H 12 8.233 8.233 8.682 -0.449 25946 380 1 8 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.180 0.191 25946 381 1 8 . 1 1 13 13 LYS H H 13 8.466 8.466 7.455 1.011 25946 382 1 8 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.528 0.016 25946 383 1 8 . 1 1 14 14 LEU H H 14 8.552 8.552 8.190 0.362 25946 384 1 8 . 1 1 15 15 THR HA H 15 4.416 4.416 2.653 1.763 25946 385 1 8 . 1 1 15 15 THR H H 15 8.307 8.307 7.995 0.312 25946 386 1 8 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.779 0.066 25946 387 1 8 . 1 1 16 16 HIS H H 16 8.698 8.698 7.586 1.112 25946 388 1 8 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.314 0.078 25946 389 1 8 . 1 1 17 17 ARG H H 17 8.659 8.659 8.701 -0.042 25946 390 1 8 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.609 -0.232 25946 391 1 8 . 1 1 18 18 LEU H H 18 8.474 8.474 7.531 0.943 25946 392 1 8 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.944 -0.224 25946 393 1 8 . 1 1 19 19 PHE H H 19 8.394 8.394 7.911 0.483 25946 394 1 8 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.910 -0.530 25946 395 1 8 . 1 1 20 20 ARG H H 20 8.403 8.403 7.708 0.695 25946 396 1 8 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.010 0.275 25946 397 1 8 . 1 1 21 21 ARG H H 21 8.546 8.546 8.170 0.376 25946 398 1 8 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.611 0.133 25946 399 1 8 . 1 1 22 22 ASN H H 22 8.659 8.659 7.881 0.778 25946 400 1 8 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.833 -0.163 25946 401 1 8 . 1 1 23 23 PHE H H 23 8.412 8.412 6.612 1.800 25946 402 1 8 . 1 1 24 24 GLY H H 24 8.477 8.477 8.209 0.268 25946 403 1 8 . 1 1 25 25 TYR HA H 25 4.783 4.783 5.122 -0.339 25946 404 1 8 . 1 1 25 25 TYR H H 25 8.182 8.182 8.262 -0.080 25946 405 1 8 . 1 1 26 26 THR HA H 26 4.416 4.416 4.208 0.208 25946 406 1 8 . 1 1 26 26 THR H H 26 8.307 8.307 8.675 -0.368 25946 407 1 8 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.343 0.145 25946 408 1 8 . 1 1 27 27 LEU H H 27 8.436 8.436 8.217 0.219 25946 409 1 9 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.644 0.064 25946 410 1 9 . 1 1 2 2 TYR H H 2 8.901 8.901 8.080 0.821 25946 411 1 9 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.022 0.452 25946 412 1 9 . 1 1 3 3 GLU H H 3 8.555 8.555 8.264 0.291 25946 413 1 9 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.160 0.125 25946 414 1 9 . 1 1 4 4 ILE H H 4 8.495 8.495 7.711 0.784 25946 415 1 9 . 1 1 5 5 THR HA H 5 4.544 4.544 3.859 0.685 25946 416 1 9 . 1 1 5 5 THR H H 5 8.460 8.460 8.256 0.204 25946 417 1 9 . 1 1 6 6 THR HA H 6 4.461 4.461 4.520 -0.059 25946 418 1 9 . 1 1 6 6 THR H H 6 8.376 8.376 7.389 0.987 25946 419 1 9 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.307 0.921 25946 420 1 9 . 1 1 7 7 ILE H H 7 8.290 8.290 7.963 0.327 25946 421 1 9 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.308 0.540 25946 422 1 9 . 1 1 8 8 HIS H H 8 8.793 8.793 7.905 0.888 25946 423 1 9 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.439 0.348 25946 424 1 9 . 1 1 9 9 ASN H H 9 8.659 8.659 8.122 0.537 25946 425 1 9 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.260 0.117 25946 426 1 9 . 1 1 10 10 LEU H H 10 8.448 8.448 7.402 1.046 25946 427 1 9 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.508 0.194 25946 428 1 9 . 1 1 11 11 PHE H H 11 8.549 8.549 8.216 0.333 25946 429 1 9 . 1 1 12 12 ARG HA H 12 4.374 4.374 3.981 0.393 25946 430 1 9 . 1 1 12 12 ARG H H 12 8.233 8.233 8.965 -0.732 25946 431 1 9 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.301 0.070 25946 432 1 9 . 1 1 13 13 LYS H H 13 8.466 8.466 7.681 0.785 25946 433 1 9 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.610 -0.066 25946 434 1 9 . 1 1 14 14 LEU H H 14 8.552 8.552 7.908 0.644 25946 435 1 9 . 1 1 15 15 THR HA H 15 4.416 4.416 2.124 2.292 25946 436 1 9 . 1 1 15 15 THR H H 15 8.307 8.307 7.943 0.364 25946 437 1 9 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.649 0.196 25946 438 1 9 . 1 1 16 16 HIS H H 16 8.698 8.698 7.566 1.132 25946 439 1 9 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.228 0.164 25946 440 1 9 . 1 1 17 17 ARG H H 17 8.659 8.659 8.745 -0.086 25946 441 1 9 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.684 -0.307 25946 442 1 9 . 1 1 18 18 LEU H H 18 8.474 8.474 7.717 0.757 25946 443 1 9 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.838 -0.118 25946 444 1 9 . 1 1 19 19 PHE H H 19 8.394 8.394 8.050 0.344 25946 445 1 9 . 1 1 20 20 ARG HA H 20 4.380 4.380 5.119 -0.739 25946 446 1 9 . 1 1 20 20 ARG H H 20 8.403 8.403 7.787 0.616 25946 447 1 9 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.062 0.223 25946 448 1 9 . 1 1 21 21 ARG H H 21 8.546 8.546 7.434 1.112 25946 449 1 9 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.669 0.075 25946 450 1 9 . 1 1 22 22 ASN H H 22 8.659 8.659 7.983 0.676 25946 451 1 9 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.913 -0.243 25946 452 1 9 . 1 1 23 23 PHE H H 23 8.412 8.412 6.845 1.567 25946 453 1 9 . 1 1 24 24 GLY H H 24 8.477 8.477 8.513 -0.036 25946 454 1 9 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.975 -0.192 25946 455 1 9 . 1 1 25 25 TYR H H 25 8.182 8.182 8.077 0.105 25946 456 1 9 . 1 1 26 26 THR HA H 26 4.416 4.416 4.188 0.228 25946 457 1 9 . 1 1 26 26 THR H H 26 8.307 8.307 8.730 -0.423 25946 458 1 9 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.370 0.118 25946 459 1 9 . 1 1 27 27 LEU H H 27 8.436 8.436 8.365 0.071 25946 460 1 10 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.555 0.153 25946 461 1 10 . 1 1 2 2 TYR H H 2 8.901 8.901 8.028 0.873 25946 462 1 10 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.069 0.405 25946 463 1 10 . 1 1 3 3 GLU H H 3 8.555 8.555 8.216 0.339 25946 464 1 10 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.197 0.088 25946 465 1 10 . 1 1 4 4 ILE H H 4 8.495 8.495 7.770 0.725 25946 466 1 10 . 1 1 5 5 THR HA H 5 4.544 4.544 3.844 0.700 25946 467 1 10 . 1 1 5 5 THR H H 5 8.460 8.460 8.000 0.460 25946 468 1 10 . 1 1 6 6 THR HA H 6 4.461 4.461 4.433 0.028 25946 469 1 10 . 1 1 6 6 THR H H 6 8.376 8.376 7.440 0.936 25946 470 1 10 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.311 0.917 25946 471 1 10 . 1 1 7 7 ILE H H 7 8.290 8.290 7.907 0.383 25946 472 1 10 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.288 0.560 25946 473 1 10 . 1 1 8 8 HIS H H 8 8.793 8.793 7.813 0.980 25946 474 1 10 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.438 0.349 25946 475 1 10 . 1 1 9 9 ASN H H 9 8.659 8.659 8.205 0.454 25946 476 1 10 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.275 0.102 25946 477 1 10 . 1 1 10 10 LEU H H 10 8.448 8.448 7.359 1.089 25946 478 1 10 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.473 0.229 25946 479 1 10 . 1 1 11 11 PHE H H 11 8.549 8.549 8.117 0.432 25946 480 1 10 . 1 1 12 12 ARG HA H 12 4.374 4.374 3.979 0.395 25946 481 1 10 . 1 1 12 12 ARG H H 12 8.233 8.233 9.033 -0.800 25946 482 1 10 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.303 0.068 25946 483 1 10 . 1 1 13 13 LYS H H 13 8.466 8.466 7.411 1.055 25946 484 1 10 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.595 -0.051 25946 485 1 10 . 1 1 14 14 LEU H H 14 8.552 8.552 7.931 0.621 25946 486 1 10 . 1 1 15 15 THR HA H 15 4.416 4.416 2.215 2.201 25946 487 1 10 . 1 1 15 15 THR H H 15 8.307 8.307 7.941 0.366 25946 488 1 10 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.727 0.118 25946 489 1 10 . 1 1 16 16 HIS H H 16 8.698 8.698 7.640 1.058 25946 490 1 10 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.260 0.132 25946 491 1 10 . 1 1 17 17 ARG H H 17 8.659 8.659 8.672 -0.013 25946 492 1 10 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.670 -0.293 25946 493 1 10 . 1 1 18 18 LEU H H 18 8.474 8.474 7.608 0.866 25946 494 1 10 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.856 -0.136 25946 495 1 10 . 1 1 19 19 PHE H H 19 8.394 8.394 8.162 0.232 25946 496 1 10 . 1 1 20 20 ARG HA H 20 4.380 4.380 5.082 -0.702 25946 497 1 10 . 1 1 20 20 ARG H H 20 8.403 8.403 7.914 0.489 25946 498 1 10 . 1 1 21 21 ARG HA H 21 4.285 4.285 3.981 0.304 25946 499 1 10 . 1 1 21 21 ARG H H 21 8.546 8.546 7.480 1.066 25946 500 1 10 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.655 0.089 25946 501 1 10 . 1 1 22 22 ASN H H 22 8.659 8.659 7.959 0.700 25946 502 1 10 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.904 -0.234 25946 503 1 10 . 1 1 23 23 PHE H H 23 8.412 8.412 6.707 1.705 25946 504 1 10 . 1 1 24 24 GLY H H 24 8.477 8.477 8.386 0.091 25946 505 1 10 . 1 1 25 25 TYR HA H 25 4.783 4.783 5.090 -0.307 25946 506 1 10 . 1 1 25 25 TYR H H 25 8.182 8.182 8.072 0.110 25946 507 1 10 . 1 1 26 26 THR HA H 26 4.416 4.416 4.106 0.310 25946 508 1 10 . 1 1 26 26 THR H H 26 8.307 8.307 8.590 -0.283 25946 509 1 10 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.210 0.278 25946 510 1 10 . 1 1 27 27 LEU H H 27 8.436 8.436 8.336 0.100 25946 511 1 11 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.797 -0.089 25946 512 1 11 . 1 1 2 2 TYR H H 2 8.901 8.901 8.414 0.487 25946 513 1 11 . 1 1 3 3 GLU HA H 3 4.474 4.474 3.995 0.479 25946 514 1 11 . 1 1 3 3 GLU H H 3 8.555 8.555 8.271 0.284 25946 515 1 11 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.139 0.146 25946 516 1 11 . 1 1 4 4 ILE H H 4 8.495 8.495 7.825 0.670 25946 517 1 11 . 1 1 5 5 THR HA H 5 4.544 4.544 3.825 0.719 25946 518 1 11 . 1 1 5 5 THR H H 5 8.460 8.460 7.906 0.554 25946 519 1 11 . 1 1 6 6 THR HA H 6 4.461 4.461 4.564 -0.103 25946 520 1 11 . 1 1 6 6 THR H H 6 8.376 8.376 7.742 0.634 25946 521 1 11 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.252 0.976 25946 522 1 11 . 1 1 7 7 ILE H H 7 8.290 8.290 7.925 0.365 25946 523 1 11 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.143 0.705 25946 524 1 11 . 1 1 8 8 HIS H H 8 8.793 8.793 7.659 1.134 25946 525 1 11 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.371 0.416 25946 526 1 11 . 1 1 9 9 ASN H H 9 8.659 8.659 8.003 0.656 25946 527 1 11 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.439 -0.062 25946 528 1 11 . 1 1 10 10 LEU H H 10 8.448 8.448 7.352 1.096 25946 529 1 11 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.655 0.047 25946 530 1 11 . 1 1 11 11 PHE H H 11 8.549 8.549 8.009 0.540 25946 531 1 11 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.065 0.309 25946 532 1 11 . 1 1 12 12 ARG H H 12 8.233 8.233 8.809 -0.576 25946 533 1 11 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.187 0.184 25946 534 1 11 . 1 1 13 13 LYS H H 13 8.466 8.466 7.853 0.613 25946 535 1 11 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.537 0.007 25946 536 1 11 . 1 1 14 14 LEU H H 14 8.552 8.552 8.203 0.349 25946 537 1 11 . 1 1 15 15 THR HA H 15 4.416 4.416 2.614 1.802 25946 538 1 11 . 1 1 15 15 THR H H 15 8.307 8.307 7.983 0.324 25946 539 1 11 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.922 -0.077 25946 540 1 11 . 1 1 16 16 HIS H H 16 8.698 8.698 7.580 1.118 25946 541 1 11 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.232 0.160 25946 542 1 11 . 1 1 17 17 ARG H H 17 8.659 8.659 8.527 0.132 25946 543 1 11 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.609 -0.232 25946 544 1 11 . 1 1 18 18 LEU H H 18 8.474 8.474 7.567 0.907 25946 545 1 11 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.727 -0.007 25946 546 1 11 . 1 1 19 19 PHE H H 19 8.394 8.394 7.815 0.579 25946 547 1 11 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.887 -0.507 25946 548 1 11 . 1 1 20 20 ARG H H 20 8.403 8.403 8.051 0.352 25946 549 1 11 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.285 0.000 25946 550 1 11 . 1 1 21 21 ARG H H 21 8.546 8.546 7.776 0.770 25946 551 1 11 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.745 -0.001 25946 552 1 11 . 1 1 22 22 ASN H H 22 8.659 8.659 7.856 0.803 25946 553 1 11 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.866 -0.196 25946 554 1 11 . 1 1 23 23 PHE H H 23 8.412 8.412 6.723 1.689 25946 555 1 11 . 1 1 24 24 GLY H H 24 8.477 8.477 8.874 -0.397 25946 556 1 11 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.445 0.338 25946 557 1 11 . 1 1 25 25 TYR H H 25 8.182 8.182 8.226 -0.044 25946 558 1 11 . 1 1 26 26 THR HA H 26 4.416 4.416 4.160 0.256 25946 559 1 11 . 1 1 26 26 THR H H 26 8.307 8.307 8.943 -0.636 25946 560 1 11 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.181 0.307 25946 561 1 11 . 1 1 27 27 LEU H H 27 8.436 8.436 7.677 0.759 25946 562 1 12 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.460 0.248 25946 563 1 12 . 1 1 2 2 TYR H H 2 8.901 8.901 7.838 1.063 25946 564 1 12 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.044 0.430 25946 565 1 12 . 1 1 3 3 GLU H H 3 8.555 8.555 8.285 0.270 25946 566 1 12 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.199 0.086 25946 567 1 12 . 1 1 4 4 ILE H H 4 8.495 8.495 7.700 0.795 25946 568 1 12 . 1 1 5 5 THR HA H 5 4.544 4.544 3.872 0.672 25946 569 1 12 . 1 1 5 5 THR H H 5 8.460 8.460 7.975 0.485 25946 570 1 12 . 1 1 6 6 THR HA H 6 4.461 4.461 4.498 -0.037 25946 571 1 12 . 1 1 6 6 THR H H 6 8.376 8.376 7.484 0.892 25946 572 1 12 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.310 0.918 25946 573 1 12 . 1 1 7 7 ILE H H 7 8.290 8.290 7.868 0.422 25946 574 1 12 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.134 0.714 25946 575 1 12 . 1 1 8 8 HIS H H 8 8.793 8.793 7.867 0.926 25946 576 1 12 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.380 0.407 25946 577 1 12 . 1 1 9 9 ASN H H 9 8.659 8.659 8.128 0.531 25946 578 1 12 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.317 0.060 25946 579 1 12 . 1 1 10 10 LEU H H 10 8.448 8.448 7.164 1.284 25946 580 1 12 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.653 0.049 25946 581 1 12 . 1 1 11 11 PHE H H 11 8.549 8.549 8.194 0.355 25946 582 1 12 . 1 1 12 12 ARG HA H 12 4.374 4.374 3.996 0.378 25946 583 1 12 . 1 1 12 12 ARG H H 12 8.233 8.233 8.959 -0.726 25946 584 1 12 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.291 0.080 25946 585 1 12 . 1 1 13 13 LYS H H 13 8.466 8.466 7.810 0.656 25946 586 1 12 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.616 -0.072 25946 587 1 12 . 1 1 14 14 LEU H H 14 8.552 8.552 7.889 0.663 25946 588 1 12 . 1 1 15 15 THR HA H 15 4.416 4.416 2.365 2.051 25946 589 1 12 . 1 1 15 15 THR H H 15 8.307 8.307 7.859 0.448 25946 590 1 12 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.740 0.105 25946 591 1 12 . 1 1 16 16 HIS H H 16 8.698 8.698 7.564 1.134 25946 592 1 12 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.021 0.371 25946 593 1 12 . 1 1 17 17 ARG H H 17 8.659 8.659 8.357 0.302 25946 594 1 12 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.352 0.025 25946 595 1 12 . 1 1 18 18 LEU H H 18 8.474 8.474 7.679 0.795 25946 596 1 12 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.544 0.176 25946 597 1 12 . 1 1 19 19 PHE H H 19 8.394 8.394 7.608 0.786 25946 598 1 12 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.928 -0.548 25946 599 1 12 . 1 1 20 20 ARG H H 20 8.403 8.403 7.942 0.461 25946 600 1 12 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.326 -0.041 25946 601 1 12 . 1 1 21 21 ARG H H 21 8.546 8.546 7.908 0.638 25946 602 1 12 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.741 0.003 25946 603 1 12 . 1 1 22 22 ASN H H 22 8.659 8.659 8.257 0.402 25946 604 1 12 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.934 -0.264 25946 605 1 12 . 1 1 23 23 PHE H H 23 8.412 8.412 6.805 1.607 25946 606 1 12 . 1 1 24 24 GLY H H 24 8.477 8.477 8.850 -0.373 25946 607 1 12 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.945 -0.162 25946 608 1 12 . 1 1 25 25 TYR H H 25 8.182 8.182 8.326 -0.144 25946 609 1 12 . 1 1 26 26 THR HA H 26 4.416 4.416 4.153 0.263 25946 610 1 12 . 1 1 26 26 THR H H 26 8.307 8.307 8.733 -0.426 25946 611 1 12 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.204 0.284 25946 612 1 12 . 1 1 27 27 LEU H H 27 8.436 8.436 7.998 0.438 25946 613 1 13 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.600 0.108 25946 614 1 13 . 1 1 2 2 TYR H H 2 8.901 8.901 8.097 0.804 25946 615 1 13 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.054 0.420 25946 616 1 13 . 1 1 3 3 GLU H H 3 8.555 8.555 8.277 0.278 25946 617 1 13 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.128 0.157 25946 618 1 13 . 1 1 4 4 ILE H H 4 8.495 8.495 7.728 0.767 25946 619 1 13 . 1 1 5 5 THR HA H 5 4.544 4.544 3.849 0.695 25946 620 1 13 . 1 1 5 5 THR H H 5 8.460 8.460 7.997 0.463 25946 621 1 13 . 1 1 6 6 THR HA H 6 4.461 4.461 4.420 0.041 25946 622 1 13 . 1 1 6 6 THR H H 6 8.376 8.376 7.439 0.937 25946 623 1 13 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.281 0.947 25946 624 1 13 . 1 1 7 7 ILE H H 7 8.290 8.290 7.812 0.478 25946 625 1 13 . 1 1 8 8 HIS HA H 8 4.848 4.848 4.000 0.848 25946 626 1 13 . 1 1 8 8 HIS H H 8 8.793 8.793 7.811 0.982 25946 627 1 13 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.348 0.439 25946 628 1 13 . 1 1 9 9 ASN H H 9 8.659 8.659 8.101 0.558 25946 629 1 13 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.331 0.046 25946 630 1 13 . 1 1 10 10 LEU H H 10 8.448 8.448 7.283 1.165 25946 631 1 13 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.631 0.071 25946 632 1 13 . 1 1 11 11 PHE H H 11 8.549 8.549 7.967 0.582 25946 633 1 13 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.163 0.211 25946 634 1 13 . 1 1 12 12 ARG H H 12 8.233 8.233 8.877 -0.644 25946 635 1 13 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.258 0.113 25946 636 1 13 . 1 1 13 13 LYS H H 13 8.466 8.466 7.901 0.565 25946 637 1 13 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.638 -0.094 25946 638 1 13 . 1 1 14 14 LEU H H 14 8.552 8.552 7.917 0.635 25946 639 1 13 . 1 1 15 15 THR HA H 15 4.416 4.416 2.683 1.733 25946 640 1 13 . 1 1 15 15 THR H H 15 8.307 8.307 7.996 0.311 25946 641 1 13 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.947 -0.102 25946 642 1 13 . 1 1 16 16 HIS H H 16 8.698 8.698 7.673 1.025 25946 643 1 13 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.250 0.142 25946 644 1 13 . 1 1 17 17 ARG H H 17 8.659 8.659 8.651 0.008 25946 645 1 13 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.639 -0.262 25946 646 1 13 . 1 1 18 18 LEU H H 18 8.474 8.474 7.509 0.965 25946 647 1 13 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.649 0.071 25946 648 1 13 . 1 1 19 19 PHE H H 19 8.394 8.394 8.015 0.379 25946 649 1 13 . 1 1 20 20 ARG HA H 20 4.380 4.380 5.110 -0.730 25946 650 1 13 . 1 1 20 20 ARG H H 20 8.403 8.403 8.125 0.278 25946 651 1 13 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.310 -0.025 25946 652 1 13 . 1 1 21 21 ARG H H 21 8.546 8.546 7.405 1.141 25946 653 1 13 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.772 -0.028 25946 654 1 13 . 1 1 22 22 ASN H H 22 8.659 8.659 7.710 0.949 25946 655 1 13 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.856 -0.186 25946 656 1 13 . 1 1 23 23 PHE H H 23 8.412 8.412 6.896 1.516 25946 657 1 13 . 1 1 24 24 GLY H H 24 8.477 8.477 8.823 -0.346 25946 658 1 13 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.405 0.378 25946 659 1 13 . 1 1 25 25 TYR H H 25 8.182 8.182 8.101 0.081 25946 660 1 13 . 1 1 26 26 THR HA H 26 4.416 4.416 4.258 0.158 25946 661 1 13 . 1 1 26 26 THR H H 26 8.307 8.307 8.834 -0.527 25946 662 1 13 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.067 0.421 25946 663 1 13 . 1 1 27 27 LEU H H 27 8.436 8.436 7.788 0.648 25946 664 1 14 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.680 0.028 25946 665 1 14 . 1 1 2 2 TYR H H 2 8.901 8.901 8.645 0.256 25946 666 1 14 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.245 0.229 25946 667 1 14 . 1 1 3 3 GLU H H 3 8.555 8.555 7.998 0.557 25946 668 1 14 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.151 0.134 25946 669 1 14 . 1 1 4 4 ILE H H 4 8.495 8.495 7.675 0.820 25946 670 1 14 . 1 1 5 5 THR HA H 5 4.544 4.544 3.775 0.769 25946 671 1 14 . 1 1 5 5 THR H H 5 8.460 8.460 7.941 0.519 25946 672 1 14 . 1 1 6 6 THR HA H 6 4.461 4.461 4.333 0.128 25946 673 1 14 . 1 1 6 6 THR H H 6 8.376 8.376 7.475 0.901 25946 674 1 14 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.306 0.922 25946 675 1 14 . 1 1 7 7 ILE H H 7 8.290 8.290 7.886 0.404 25946 676 1 14 . 1 1 8 8 HIS HA H 8 4.848 4.848 3.408 1.440 25946 677 1 14 . 1 1 8 8 HIS H H 8 8.793 8.793 7.598 1.195 25946 678 1 14 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.184 0.603 25946 679 1 14 . 1 1 9 9 ASN H H 9 8.659 8.659 8.004 0.655 25946 680 1 14 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.431 -0.054 25946 681 1 14 . 1 1 10 10 LEU H H 10 8.448 8.448 7.548 0.899 25946 682 1 14 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.643 0.059 25946 683 1 14 . 1 1 11 11 PHE H H 11 8.549 8.549 8.058 0.491 25946 684 1 14 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.017 0.357 25946 685 1 14 . 1 1 12 12 ARG H H 12 8.233 8.233 8.546 -0.313 25946 686 1 14 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.190 0.181 25946 687 1 14 . 1 1 13 13 LYS H H 13 8.466 8.466 7.563 0.903 25946 688 1 14 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.550 -0.006 25946 689 1 14 . 1 1 14 14 LEU H H 14 8.552 8.552 8.310 0.242 25946 690 1 14 . 1 1 15 15 THR HA H 15 4.416 4.416 3.387 1.029 25946 691 1 14 . 1 1 15 15 THR H H 15 8.307 8.307 7.990 0.317 25946 692 1 14 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.709 0.136 25946 693 1 14 . 1 1 16 16 HIS H H 16 8.698 8.698 7.586 1.112 25946 694 1 14 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.325 0.067 25946 695 1 14 . 1 1 17 17 ARG H H 17 8.659 8.659 8.798 -0.139 25946 696 1 14 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.632 -0.255 25946 697 1 14 . 1 1 18 18 LEU H H 18 8.474 8.474 7.550 0.924 25946 698 1 14 . 1 1 19 19 PHE HA H 19 4.720 4.720 5.004 -0.284 25946 699 1 14 . 1 1 19 19 PHE H H 19 8.394 8.394 7.907 0.487 25946 700 1 14 . 1 1 20 20 ARG HA H 20 4.380 4.380 5.162 -0.782 25946 701 1 14 . 1 1 20 20 ARG H H 20 8.403 8.403 7.907 0.496 25946 702 1 14 . 1 1 21 21 ARG HA H 21 4.285 4.285 3.982 0.303 25946 703 1 14 . 1 1 21 21 ARG H H 21 8.546 8.546 7.938 0.608 25946 704 1 14 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.597 0.147 25946 705 1 14 . 1 1 22 22 ASN H H 22 8.659 8.659 7.916 0.743 25946 706 1 14 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.853 -0.183 25946 707 1 14 . 1 1 23 23 PHE H H 23 8.412 8.412 6.779 1.633 25946 708 1 14 . 1 1 24 24 GLY H H 24 8.477 8.477 8.322 0.155 25946 709 1 14 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.990 -0.207 25946 710 1 14 . 1 1 25 25 TYR H H 25 8.182 8.182 8.095 0.087 25946 711 1 14 . 1 1 26 26 THR HA H 26 4.416 4.416 4.039 0.377 25946 712 1 14 . 1 1 26 26 THR H H 26 8.307 8.307 8.432 -0.125 25946 713 1 14 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.155 0.333 25946 714 1 14 . 1 1 27 27 LEU H H 27 8.436 8.436 8.050 0.386 25946 715 1 15 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.620 0.088 25946 716 1 15 . 1 1 2 2 TYR H H 2 8.901 8.901 8.017 0.884 25946 717 1 15 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.144 0.330 25946 718 1 15 . 1 1 3 3 GLU H H 3 8.555 8.555 8.314 0.241 25946 719 1 15 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.155 0.130 25946 720 1 15 . 1 1 4 4 ILE H H 4 8.495 8.495 7.692 0.803 25946 721 1 15 . 1 1 5 5 THR HA H 5 4.544 4.544 3.850 0.694 25946 722 1 15 . 1 1 5 5 THR H H 5 8.460 8.460 7.905 0.555 25946 723 1 15 . 1 1 6 6 THR HA H 6 4.461 4.461 4.396 0.065 25946 724 1 15 . 1 1 6 6 THR H H 6 8.376 8.376 7.457 0.919 25946 725 1 15 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.328 0.900 25946 726 1 15 . 1 1 7 7 ILE H H 7 8.290 8.290 7.845 0.445 25946 727 1 15 . 1 1 8 8 HIS HA H 8 4.848 4.848 3.755 1.093 25946 728 1 15 . 1 1 8 8 HIS H H 8 8.793 8.793 7.713 1.080 25946 729 1 15 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.295 0.492 25946 730 1 15 . 1 1 9 9 ASN H H 9 8.659 8.659 8.081 0.578 25946 731 1 15 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.330 0.047 25946 732 1 15 . 1 1 10 10 LEU H H 10 8.448 8.448 7.397 1.051 25946 733 1 15 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.649 0.053 25946 734 1 15 . 1 1 11 11 PHE H H 11 8.549 8.549 7.869 0.680 25946 735 1 15 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.115 0.259 25946 736 1 15 . 1 1 12 12 ARG H H 12 8.233 8.233 8.776 -0.543 25946 737 1 15 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.140 0.231 25946 738 1 15 . 1 1 13 13 LYS H H 13 8.466 8.466 7.730 0.736 25946 739 1 15 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.578 -0.034 25946 740 1 15 . 1 1 14 14 LEU H H 14 8.552 8.552 8.172 0.380 25946 741 1 15 . 1 1 15 15 THR HA H 15 4.416 4.416 3.345 1.071 25946 742 1 15 . 1 1 15 15 THR H H 15 8.307 8.307 8.042 0.265 25946 743 1 15 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.974 -0.129 25946 744 1 15 . 1 1 16 16 HIS H H 16 8.698 8.698 7.721 0.977 25946 745 1 15 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.253 0.139 25946 746 1 15 . 1 1 17 17 ARG H H 17 8.659 8.659 8.719 -0.060 25946 747 1 15 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.635 -0.258 25946 748 1 15 . 1 1 18 18 LEU H H 18 8.474 8.474 7.501 0.973 25946 749 1 15 . 1 1 19 19 PHE HA H 19 4.720 4.720 3.674 1.046 25946 750 1 15 . 1 1 19 19 PHE H H 19 8.394 8.394 7.947 0.447 25946 751 1 15 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.812 -0.432 25946 752 1 15 . 1 1 20 20 ARG H H 20 8.403 8.403 7.920 0.483 25946 753 1 15 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.421 -0.136 25946 754 1 15 . 1 1 21 21 ARG H H 21 8.546 8.546 7.653 0.893 25946 755 1 15 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.812 -0.068 25946 756 1 15 . 1 1 22 22 ASN H H 22 8.659 8.659 8.034 0.625 25946 757 1 15 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.884 -0.214 25946 758 1 15 . 1 1 23 23 PHE H H 23 8.412 8.412 7.087 1.325 25946 759 1 15 . 1 1 24 24 GLY H H 24 8.477 8.477 8.657 -0.180 25946 760 1 15 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.326 0.457 25946 761 1 15 . 1 1 25 25 TYR H H 25 8.182 8.182 8.078 0.104 25946 762 1 15 . 1 1 26 26 THR HA H 26 4.416 4.416 4.498 -0.082 25946 763 1 15 . 1 1 26 26 THR H H 26 8.307 8.307 8.726 -0.419 25946 764 1 15 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.090 0.398 25946 765 1 15 . 1 1 27 27 LEU H H 27 8.436 8.436 7.923 0.513 25946 766 1 16 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.464 0.244 25946 767 1 16 . 1 1 2 2 TYR H H 2 8.901 8.901 8.158 0.743 25946 768 1 16 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.108 0.366 25946 769 1 16 . 1 1 3 3 GLU H H 3 8.555 8.555 8.326 0.229 25946 770 1 16 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.253 0.032 25946 771 1 16 . 1 1 4 4 ILE H H 4 8.495 8.495 7.838 0.657 25946 772 1 16 . 1 1 5 5 THR HA H 5 4.544 4.544 3.810 0.734 25946 773 1 16 . 1 1 5 5 THR H H 5 8.460 8.460 7.967 0.493 25946 774 1 16 . 1 1 6 6 THR HA H 6 4.461 4.461 4.447 0.014 25946 775 1 16 . 1 1 6 6 THR H H 6 8.376 8.376 7.450 0.926 25946 776 1 16 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.543 0.685 25946 777 1 16 . 1 1 7 7 ILE H H 7 8.290 8.290 7.952 0.338 25946 778 1 16 . 1 1 8 8 HIS HA H 8 4.848 4.848 2.891 1.957 25946 779 1 16 . 1 1 8 8 HIS H H 8 8.793 8.793 7.824 0.969 25946 780 1 16 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.278 0.509 25946 781 1 16 . 1 1 9 9 ASN H H 9 8.659 8.659 8.233 0.426 25946 782 1 16 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.335 0.042 25946 783 1 16 . 1 1 10 10 LEU H H 10 8.448 8.448 7.490 0.958 25946 784 1 16 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.459 0.243 25946 785 1 16 . 1 1 11 11 PHE H H 11 8.549 8.549 7.913 0.636 25946 786 1 16 . 1 1 12 12 ARG HA H 12 4.374 4.374 3.995 0.379 25946 787 1 16 . 1 1 12 12 ARG H H 12 8.233 8.233 8.597 -0.364 25946 788 1 16 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.172 0.199 25946 789 1 16 . 1 1 13 13 LYS H H 13 8.466 8.466 7.098 1.368 25946 790 1 16 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.575 -0.031 25946 791 1 16 . 1 1 14 14 LEU H H 14 8.552 8.552 8.061 0.491 25946 792 1 16 . 1 1 15 15 THR HA H 15 4.416 4.416 4.159 0.257 25946 793 1 16 . 1 1 15 15 THR H H 15 8.307 8.307 8.099 0.208 25946 794 1 16 . 1 1 16 16 HIS HA H 16 4.845 4.845 5.008 -0.163 25946 795 1 16 . 1 1 16 16 HIS H H 16 8.698 8.698 7.857 0.841 25946 796 1 16 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.260 0.132 25946 797 1 16 . 1 1 17 17 ARG H H 17 8.659 8.659 8.571 0.088 25946 798 1 16 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.591 -0.214 25946 799 1 16 . 1 1 18 18 LEU H H 18 8.474 8.474 7.591 0.883 25946 800 1 16 . 1 1 19 19 PHE HA H 19 4.720 4.720 3.776 0.944 25946 801 1 16 . 1 1 19 19 PHE H H 19 8.394 8.394 8.048 0.346 25946 802 1 16 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.873 -0.493 25946 803 1 16 . 1 1 20 20 ARG H H 20 8.403 8.403 7.900 0.503 25946 804 1 16 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.392 -0.107 25946 805 1 16 . 1 1 21 21 ARG H H 21 8.546 8.546 7.593 0.953 25946 806 1 16 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.829 -0.085 25946 807 1 16 . 1 1 22 22 ASN H H 22 8.659 8.659 7.984 0.675 25946 808 1 16 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.889 -0.219 25946 809 1 16 . 1 1 23 23 PHE H H 23 8.412 8.412 6.986 1.426 25946 810 1 16 . 1 1 24 24 GLY H H 24 8.477 8.477 8.738 -0.261 25946 811 1 16 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.327 0.456 25946 812 1 16 . 1 1 25 25 TYR H H 25 8.182 8.182 7.956 0.226 25946 813 1 16 . 1 1 26 26 THR HA H 26 4.416 4.416 4.363 0.053 25946 814 1 16 . 1 1 26 26 THR H H 26 8.307 8.307 8.713 -0.406 25946 815 1 16 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.187 0.301 25946 816 1 16 . 1 1 27 27 LEU H H 27 8.436 8.436 7.851 0.585 25946 817 1 17 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.177 0.531 25946 818 1 17 . 1 1 2 2 TYR H H 2 8.901 8.901 8.222 0.679 25946 819 1 17 . 1 1 3 3 GLU HA H 3 4.474 4.474 3.908 0.566 25946 820 1 17 . 1 1 3 3 GLU H H 3 8.555 8.555 7.787 0.768 25946 821 1 17 . 1 1 4 4 ILE HA H 4 4.285 4.285 3.291 0.994 25946 822 1 17 . 1 1 4 4 ILE H H 4 8.495 8.495 8.759 -0.264 25946 823 1 17 . 1 1 5 5 THR HA H 5 4.544 4.544 3.676 0.868 25946 824 1 17 . 1 1 5 5 THR H H 5 8.460 8.460 8.051 0.409 25946 825 1 17 . 1 1 6 6 THR HA H 6 4.461 4.461 4.564 -0.103 25946 826 1 17 . 1 1 6 6 THR H H 6 8.376 8.376 8.400 -0.024 25946 827 1 17 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.087 1.141 25946 828 1 17 . 1 1 7 7 ILE H H 7 8.290 8.290 7.489 0.801 25946 829 1 17 . 1 1 8 8 HIS HA H 8 4.848 4.848 2.969 1.879 25946 830 1 17 . 1 1 8 8 HIS H H 8 8.793 8.793 7.712 1.081 25946 831 1 17 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.225 0.562 25946 832 1 17 . 1 1 9 9 ASN H H 9 8.659 8.659 8.104 0.555 25946 833 1 17 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.495 -0.118 25946 834 1 17 . 1 1 10 10 LEU H H 10 8.448 8.448 7.606 0.842 25946 835 1 17 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.639 0.063 25946 836 1 17 . 1 1 11 11 PHE H H 11 8.549 8.549 7.488 1.061 25946 837 1 17 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.064 0.310 25946 838 1 17 . 1 1 12 12 ARG H H 12 8.233 8.233 8.653 -0.420 25946 839 1 17 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.193 0.178 25946 840 1 17 . 1 1 13 13 LYS H H 13 8.466 8.466 7.456 1.010 25946 841 1 17 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.542 0.002 25946 842 1 17 . 1 1 14 14 LEU H H 14 8.552 8.552 8.406 0.146 25946 843 1 17 . 1 1 15 15 THR HA H 15 4.416 4.416 3.867 0.549 25946 844 1 17 . 1 1 15 15 THR H H 15 8.307 8.307 8.110 0.197 25946 845 1 17 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.797 0.048 25946 846 1 17 . 1 1 16 16 HIS H H 16 8.698 8.698 7.685 1.013 25946 847 1 17 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.307 0.085 25946 848 1 17 . 1 1 17 17 ARG H H 17 8.659 8.659 8.804 -0.145 25946 849 1 17 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.535 -0.158 25946 850 1 17 . 1 1 18 18 LEU H H 18 8.474 8.474 7.447 1.027 25946 851 1 17 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.727 -0.007 25946 852 1 17 . 1 1 19 19 PHE H H 19 8.394 8.394 7.856 0.538 25946 853 1 17 . 1 1 20 20 ARG HA H 20 4.380 4.380 5.008 -0.628 25946 854 1 17 . 1 1 20 20 ARG H H 20 8.403 8.403 7.756 0.647 25946 855 1 17 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.034 0.251 25946 856 1 17 . 1 1 21 21 ARG H H 21 8.546 8.546 7.581 0.965 25946 857 1 17 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.664 0.080 25946 858 1 17 . 1 1 22 22 ASN H H 22 8.659 8.659 7.960 0.699 25946 859 1 17 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.911 -0.241 25946 860 1 17 . 1 1 23 23 PHE H H 23 8.412 8.412 6.850 1.562 25946 861 1 17 . 1 1 24 24 GLY H H 24 8.477 8.477 8.566 -0.089 25946 862 1 17 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.937 -0.154 25946 863 1 17 . 1 1 25 25 TYR H H 25 8.182 8.182 8.093 0.089 25946 864 1 17 . 1 1 26 26 THR HA H 26 4.416 4.416 4.212 0.204 25946 865 1 17 . 1 1 26 26 THR H H 26 8.307 8.307 8.620 -0.313 25946 866 1 17 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.376 0.112 25946 867 1 17 . 1 1 27 27 LEU H H 27 8.436 8.436 8.364 0.072 25946 868 1 18 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.651 0.057 25946 869 1 18 . 1 1 2 2 TYR H H 2 8.901 8.901 8.048 0.853 25946 870 1 18 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.080 0.394 25946 871 1 18 . 1 1 3 3 GLU H H 3 8.555 8.555 8.385 0.170 25946 872 1 18 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.267 0.018 25946 873 1 18 . 1 1 4 4 ILE H H 4 8.495 8.495 7.826 0.669 25946 874 1 18 . 1 1 5 5 THR HA H 5 4.544 4.544 3.812 0.732 25946 875 1 18 . 1 1 5 5 THR H H 5 8.460 8.460 7.912 0.548 25946 876 1 18 . 1 1 6 6 THR HA H 6 4.461 4.461 4.381 0.080 25946 877 1 18 . 1 1 6 6 THR H H 6 8.376 8.376 7.459 0.917 25946 878 1 18 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.561 0.667 25946 879 1 18 . 1 1 7 7 ILE H H 7 8.290 8.290 7.898 0.392 25946 880 1 18 . 1 1 8 8 HIS HA H 8 4.848 4.848 2.898 1.950 25946 881 1 18 . 1 1 8 8 HIS H H 8 8.793 8.793 7.810 0.983 25946 882 1 18 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.252 0.535 25946 883 1 18 . 1 1 9 9 ASN H H 9 8.659 8.659 8.070 0.589 25946 884 1 18 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.339 0.038 25946 885 1 18 . 1 1 10 10 LEU H H 10 8.448 8.448 7.624 0.824 25946 886 1 18 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.641 0.061 25946 887 1 18 . 1 1 11 11 PHE H H 11 8.549 8.549 7.808 0.741 25946 888 1 18 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.113 0.261 25946 889 1 18 . 1 1 12 12 ARG H H 12 8.233 8.233 8.665 -0.432 25946 890 1 18 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.203 0.168 25946 891 1 18 . 1 1 13 13 LYS H H 13 8.466 8.466 7.247 1.219 25946 892 1 18 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.625 -0.081 25946 893 1 18 . 1 1 14 14 LEU H H 14 8.552 8.552 7.988 0.564 25946 894 1 18 . 1 1 15 15 THR HA H 15 4.416 4.416 4.480 -0.064 25946 895 1 18 . 1 1 15 15 THR H H 15 8.307 8.307 8.200 0.107 25946 896 1 18 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.951 -0.106 25946 897 1 18 . 1 1 16 16 HIS H H 16 8.698 8.698 8.192 0.506 25946 898 1 18 . 1 1 17 17 ARG HA H 17 4.392 4.392 3.906 0.486 25946 899 1 18 . 1 1 17 17 ARG H H 17 8.659 8.659 8.574 0.085 25946 900 1 18 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.565 -0.188 25946 901 1 18 . 1 1 18 18 LEU H H 18 8.474 8.474 7.508 0.966 25946 902 1 18 . 1 1 19 19 PHE HA H 19 4.720 4.720 3.748 0.972 25946 903 1 18 . 1 1 19 19 PHE H H 19 8.394 8.394 8.093 0.301 25946 904 1 18 . 1 1 20 20 ARG HA H 20 4.380 4.380 5.007 -0.627 25946 905 1 18 . 1 1 20 20 ARG H H 20 8.403 8.403 8.019 0.384 25946 906 1 18 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.412 -0.127 25946 907 1 18 . 1 1 21 21 ARG H H 21 8.546 8.546 7.314 1.232 25946 908 1 18 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.795 -0.051 25946 909 1 18 . 1 1 22 22 ASN H H 22 8.659 8.659 7.790 0.869 25946 910 1 18 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.870 -0.200 25946 911 1 18 . 1 1 23 23 PHE H H 23 8.412 8.412 6.997 1.415 25946 912 1 18 . 1 1 24 24 GLY H H 24 8.477 8.477 8.760 -0.283 25946 913 1 18 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.330 0.453 25946 914 1 18 . 1 1 25 25 TYR H H 25 8.182 8.182 7.975 0.207 25946 915 1 18 . 1 1 26 26 THR HA H 26 4.416 4.416 4.278 0.138 25946 916 1 18 . 1 1 26 26 THR H H 26 8.307 8.307 8.817 -0.510 25946 917 1 18 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.397 0.091 25946 918 1 18 . 1 1 27 27 LEU H H 27 8.436 8.436 7.838 0.598 25946 919 1 19 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.558 0.150 25946 920 1 19 . 1 1 2 2 TYR H H 2 8.901 8.901 8.787 0.114 25946 921 1 19 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.202 0.272 25946 922 1 19 . 1 1 3 3 GLU H H 3 8.555 8.555 8.277 0.278 25946 923 1 19 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.175 0.110 25946 924 1 19 . 1 1 4 4 ILE H H 4 8.495 8.495 7.784 0.711 25946 925 1 19 . 1 1 5 5 THR HA H 5 4.544 4.544 3.877 0.667 25946 926 1 19 . 1 1 5 5 THR H H 5 8.460 8.460 8.037 0.423 25946 927 1 19 . 1 1 6 6 THR HA H 6 4.461 4.461 4.522 -0.061 25946 928 1 19 . 1 1 6 6 THR H H 6 8.376 8.376 7.501 0.875 25946 929 1 19 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.200 1.028 25946 930 1 19 . 1 1 7 7 ILE H H 7 8.290 8.290 7.900 0.390 25946 931 1 19 . 1 1 8 8 HIS HA H 8 4.848 4.848 3.742 1.106 25946 932 1 19 . 1 1 8 8 HIS H H 8 8.793 8.793 7.687 1.106 25946 933 1 19 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.256 0.531 25946 934 1 19 . 1 1 9 9 ASN H H 9 8.659 8.659 7.936 0.723 25946 935 1 19 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.374 0.003 25946 936 1 19 . 1 1 10 10 LEU H H 10 8.448 8.448 7.438 1.010 25946 937 1 19 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.654 0.048 25946 938 1 19 . 1 1 11 11 PHE H H 11 8.549 8.549 8.052 0.497 25946 939 1 19 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.054 0.320 25946 940 1 19 . 1 1 12 12 ARG H H 12 8.233 8.233 8.730 -0.497 25946 941 1 19 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.160 0.211 25946 942 1 19 . 1 1 13 13 LYS H H 13 8.466 8.466 7.721 0.745 25946 943 1 19 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.586 -0.042 25946 944 1 19 . 1 1 14 14 LEU H H 14 8.552 8.552 8.267 0.285 25946 945 1 19 . 1 1 15 15 THR HA H 15 4.416 4.416 3.305 1.111 25946 946 1 19 . 1 1 15 15 THR H H 15 8.307 8.307 8.105 0.202 25946 947 1 19 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.817 0.028 25946 948 1 19 . 1 1 16 16 HIS H H 16 8.698 8.698 7.685 1.013 25946 949 1 19 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.229 0.163 25946 950 1 19 . 1 1 17 17 ARG H H 17 8.659 8.659 8.621 0.038 25946 951 1 19 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.619 -0.242 25946 952 1 19 . 1 1 18 18 LEU H H 18 8.474 8.474 7.567 0.907 25946 953 1 19 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.598 0.122 25946 954 1 19 . 1 1 19 19 PHE H H 19 8.394 8.394 7.884 0.510 25946 955 1 19 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.958 -0.578 25946 956 1 19 . 1 1 20 20 ARG H H 20 8.403 8.403 8.016 0.387 25946 957 1 19 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.289 -0.004 25946 958 1 19 . 1 1 21 21 ARG H H 21 8.546 8.546 7.698 0.848 25946 959 1 19 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.770 -0.026 25946 960 1 19 . 1 1 22 22 ASN H H 22 8.659 8.659 7.875 0.784 25946 961 1 19 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.877 -0.206 25946 962 1 19 . 1 1 23 23 PHE H H 23 8.412 8.412 6.802 1.610 25946 963 1 19 . 1 1 24 24 GLY H H 24 8.477 8.477 8.745 -0.268 25946 964 1 19 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.411 0.372 25946 965 1 19 . 1 1 25 25 TYR H H 25 8.182 8.182 8.184 -0.002 25946 966 1 19 . 1 1 26 26 THR HA H 26 4.416 4.416 4.122 0.294 25946 967 1 19 . 1 1 26 26 THR H H 26 8.307 8.307 8.949 -0.642 25946 968 1 19 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.330 0.158 25946 969 1 19 . 1 1 27 27 LEU H H 27 8.436 8.436 7.728 0.708 25946 970 1 20 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.542 0.166 25946 971 1 20 . 1 1 2 2 TYR H H 2 8.901 8.901 8.150 0.751 25946 972 1 20 . 1 1 3 3 GLU HA H 3 4.474 4.474 3.918 0.556 25946 973 1 20 . 1 1 3 3 GLU H H 3 8.555 8.555 7.934 0.621 25946 974 1 20 . 1 1 4 4 ILE HA H 4 4.285 4.285 3.292 0.993 25946 975 1 20 . 1 1 4 4 ILE H H 4 8.495 8.495 8.843 -0.348 25946 976 1 20 . 1 1 5 5 THR HA H 5 4.544 4.544 3.715 0.829 25946 977 1 20 . 1 1 5 5 THR H H 5 8.460 8.460 7.906 0.554 25946 978 1 20 . 1 1 6 6 THR HA H 6 4.461 4.461 4.664 -0.203 25946 979 1 20 . 1 1 6 6 THR H H 6 8.376 8.376 8.256 0.120 25946 980 1 20 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.083 1.145 25946 981 1 20 . 1 1 7 7 ILE H H 7 8.290 8.290 7.485 0.805 25946 982 1 20 . 1 1 8 8 HIS HA H 8 4.848 4.848 3.001 1.847 25946 983 1 20 . 1 1 8 8 HIS H H 8 8.793 8.793 7.909 0.884 25946 984 1 20 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.226 0.561 25946 985 1 20 . 1 1 9 9 ASN H H 9 8.659 8.659 8.060 0.599 25946 986 1 20 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.450 -0.073 25946 987 1 20 . 1 1 10 10 LEU H H 10 8.448 8.448 7.676 0.772 25946 988 1 20 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.649 0.053 25946 989 1 20 . 1 1 11 11 PHE H H 11 8.549 8.549 7.534 1.015 25946 990 1 20 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.045 0.329 25946 991 1 20 . 1 1 12 12 ARG H H 12 8.233 8.233 8.661 -0.428 25946 992 1 20 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.200 0.171 25946 993 1 20 . 1 1 13 13 LYS H H 13 8.466 8.466 7.497 0.969 25946 994 1 20 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.537 0.007 25946 995 1 20 . 1 1 14 14 LEU H H 14 8.552 8.552 8.342 0.210 25946 996 1 20 . 1 1 15 15 THR HA H 15 4.416 4.416 3.690 0.726 25946 997 1 20 . 1 1 15 15 THR H H 15 8.307 8.307 8.097 0.210 25946 998 1 20 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.774 0.071 25946 999 1 20 . 1 1 16 16 HIS H H 16 8.698 8.698 7.609 1.089 25946 1000 1 20 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.248 0.144 25946 1001 1 20 . 1 1 17 17 ARG H H 17 8.659 8.659 8.634 0.025 25946 1002 1 20 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.593 -0.216 25946 1003 1 20 . 1 1 18 18 LEU H H 18 8.474 8.474 7.435 1.039 25946 1004 1 20 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.660 0.060 25946 1005 1 20 . 1 1 19 19 PHE H H 19 8.394 8.394 7.831 0.563 25946 1006 1 20 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.985 -0.605 25946 1007 1 20 . 1 1 20 20 ARG H H 20 8.403 8.403 7.632 0.771 25946 1008 1 20 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.065 0.220 25946 1009 1 20 . 1 1 21 21 ARG H H 21 8.546 8.546 7.555 0.991 25946 1010 1 20 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.677 0.067 25946 1011 1 20 . 1 1 22 22 ASN H H 22 8.659 8.659 8.039 0.620 25946 1012 1 20 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.914 -0.244 25946 1013 1 20 . 1 1 23 23 PHE H H 23 8.412 8.412 6.822 1.590 25946 1014 1 20 . 1 1 24 24 GLY H H 24 8.477 8.477 8.593 -0.116 25946 1015 1 20 . 1 1 25 25 TYR HA H 25 4.783 4.783 5.042 -0.259 25946 1016 1 20 . 1 1 25 25 TYR H H 25 8.182 8.182 8.071 0.111 25946 1017 1 20 . 1 1 26 26 THR HA H 26 4.416 4.416 4.224 0.192 25946 1018 1 20 . 1 1 26 26 THR H H 26 8.307 8.307 8.607 -0.300 25946 1019 1 20 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.323 0.165 25946 1020 1 20 . 1 1 27 27 LEU H H 27 8.436 8.436 8.393 0.043 25946 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 25946 2 1 1 "Average Difference" HA 27 0.444 -0.240 0.381 25946 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25946 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25946 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25946 6 1 1 "Average Difference" HN 26 0.657 -0.493 0.443 25946 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25946 8 1 2 "Average Difference" HA 27 0.466 -0.254 0.398 25946 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25946 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25946 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25946 12 1 2 "Average Difference" HN 26 0.661 -0.508 0.431 25946 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25946 14 1 3 "Average Difference" HA 27 0.469 -0.254 0.401 25946 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25946 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25946 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25946 18 1 3 "Average Difference" HN 26 0.667 -0.490 0.461 25946 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25946 20 1 4 "Average Difference" HA 27 0.507 -0.263 0.442 25946 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25946 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25946 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25946 24 1 4 "Average Difference" HN 26 0.687 -0.493 0.488 25946 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25946 26 1 5 "Average Difference" HA 27 0.523 -0.268 0.457 25946 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25946 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25946 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25946 30 1 5 "Average Difference" HN 26 0.616 -0.451 0.429 25946 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25946 32 1 6 "Average Difference" HA 27 0.512 -0.254 0.453 25946 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25946 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25946 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25946 36 1 6 "Average Difference" HN 26 0.699 -0.514 0.482 25946 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25946 38 1 7 "Average Difference" HA 27 0.502 -0.233 0.454 25946 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25946 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25946 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25946 42 1 7 "Average Difference" HN 26 0.726 -0.558 0.475 25946 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25946 44 1 8 "Average Difference" HA 27 0.493 -0.234 0.442 25946 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25946 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25946 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25946 48 1 8 "Average Difference" HN 26 0.723 -0.535 0.495 25946 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25946 50 1 9 "Average Difference" HA 27 0.564 -0.228 0.526 25946 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25946 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25946 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25946 54 1 9 "Average Difference" HN 26 0.712 -0.504 0.513 25946 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25946 56 1 10 "Average Difference" HA 27 0.555 -0.236 0.512 25946 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25946 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25946 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25946 60 1 10 "Average Difference" HN 26 0.740 -0.540 0.517 25946 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25946 62 1 11 "Average Difference" HA 27 0.495 -0.228 0.448 25946 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25946 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25946 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25946 66 1 11 "Average Difference" HN 26 0.721 -0.506 0.524 25946 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25946 68 1 12 "Average Difference" HA 27 0.530 -0.256 0.473 25946 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25946 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25946 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25946 72 1 12 "Average Difference" HN 26 0.736 -0.526 0.524 25946 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25946 74 1 13 "Average Difference" HA 27 0.502 -0.230 0.455 25946 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25946 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25946 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25946 78 1 13 "Average Difference" HN 26 0.743 -0.538 0.523 25946 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25946 80 1 14 "Average Difference" HA 27 0.496 -0.227 0.449 25946 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25946 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25946 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25946 84 1 14 "Average Difference" HN 26 0.697 -0.547 0.442 25946 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25946 86 1 15 "Average Difference" HA 27 0.479 -0.252 0.415 25946 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25946 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25946 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25946 90 1 15 "Average Difference" HN 26 0.699 -0.529 0.466 25946 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25946 92 1 16 "Average Difference" HA 27 0.525 -0.257 0.467 25946 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25946 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25946 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25946 96 1 16 "Average Difference" HN 26 0.704 -0.536 0.465 25946 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25946 98 1 17 "Average Difference" HA 27 0.571 -0.285 0.505 25946 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25946 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25946 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25946 102 1 17 "Average Difference" HN 26 0.715 -0.496 0.525 25946 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25946 104 1 18 "Average Difference" HA 27 0.527 -0.235 0.481 25946 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25946 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25946 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25946 108 1 18 "Average Difference" HN 26 0.720 -0.535 0.492 25946 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25946 110 1 19 "Average Difference" HA 27 0.449 -0.228 0.394 25946 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25946 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25946 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25946 114 1 19 "Average Difference" HN 26 0.702 -0.491 0.512 25946 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25946 116 1 20 "Average Difference" HA 27 0.567 -0.274 0.506 25946 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25946 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25946 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25946 120 1 20 "Average Difference" HN 26 0.713 -0.506 0.512 25946 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 25946 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 TYR HA H 2 4.708 4.708 4.557 0.151 25946 2 1 . 1 1 2 2 TYR H H 2 8.901 8.901 8.189 0.712 25946 3 1 . 1 1 3 3 GLU HA H 3 4.474 4.474 4.092 0.382 25946 4 1 . 1 1 3 3 GLU H H 3 8.555 8.555 8.226 0.329 25946 5 1 . 1 1 4 4 ILE HA H 4 4.285 4.285 4.074 0.211 25946 6 1 . 1 1 4 4 ILE H H 4 8.495 8.495 7.872 0.623 25946 7 1 . 1 1 5 5 THR HA H 5 4.544 4.544 3.822 0.722 25946 8 1 . 1 1 5 5 THR H H 5 8.460 8.460 8.021 0.439 25946 9 1 . 1 1 6 6 THR HA H 6 4.461 4.461 4.472 -0.011 25946 10 1 . 1 1 6 6 THR H H 6 8.376 8.376 7.592 0.783 25946 11 1 . 1 1 7 7 ILE HA H 7 4.228 4.228 3.297 0.931 25946 12 1 . 1 1 7 7 ILE H H 7 8.290 8.290 7.830 0.460 25946 13 1 . 1 1 8 8 HIS HA H 8 4.848 4.848 3.824 1.024 25946 14 1 . 1 1 8 8 HIS H H 8 8.793 8.793 7.799 0.994 25946 15 1 . 1 1 9 9 ASN HA H 9 4.787 4.787 4.327 0.460 25946 16 1 . 1 1 9 9 ASN H H 9 8.659 8.659 8.077 0.582 25946 17 1 . 1 1 10 10 LEU HA H 10 4.377 4.377 4.343 0.034 25946 18 1 . 1 1 10 10 LEU H H 10 8.448 8.448 7.376 1.072 25946 19 1 . 1 1 11 11 PHE HA H 11 4.702 4.702 4.573 0.129 25946 20 1 . 1 1 11 11 PHE H H 11 8.549 8.549 7.979 0.570 25946 21 1 . 1 1 12 12 ARG HA H 12 4.374 4.374 4.018 0.356 25946 22 1 . 1 1 12 12 ARG H H 12 8.233 8.233 8.775 -0.542 25946 23 1 . 1 1 13 13 LYS HA H 13 4.371 4.371 4.223 0.148 25946 24 1 . 1 1 13 13 LYS H H 13 8.466 8.466 7.639 0.827 25946 25 1 . 1 1 14 14 LEU HA H 14 4.544 4.544 4.582 -0.038 25946 26 1 . 1 1 14 14 LEU H H 14 8.552 8.552 8.084 0.469 25946 27 1 . 1 1 15 15 THR HA H 15 4.416 4.416 3.002 1.414 25946 28 1 . 1 1 15 15 THR H H 15 8.307 8.307 8.005 0.302 25946 29 1 . 1 1 16 16 HIS HA H 16 4.845 4.845 4.792 0.053 25946 30 1 . 1 1 16 16 HIS H H 16 8.698 8.698 7.640 1.058 25946 31 1 . 1 1 17 17 ARG HA H 17 4.392 4.392 4.222 0.170 25946 32 1 . 1 1 17 17 ARG H H 17 8.659 8.659 8.629 0.030 25946 33 1 . 1 1 18 18 LEU HA H 18 4.377 4.377 4.568 -0.191 25946 34 1 . 1 1 18 18 LEU H H 18 8.474 8.474 7.528 0.946 25946 35 1 . 1 1 19 19 PHE HA H 19 4.720 4.720 4.362 0.358 25946 36 1 . 1 1 19 19 PHE H H 19 8.394 8.394 7.857 0.537 25946 37 1 . 1 1 20 20 ARG HA H 20 4.380 4.380 4.836 -0.456 25946 38 1 . 1 1 20 20 ARG H H 20 8.403 8.403 7.869 0.534 25946 39 1 . 1 1 21 21 ARG HA H 21 4.285 4.285 4.184 0.101 25946 40 1 . 1 1 21 21 ARG H H 21 8.546 8.546 7.754 0.792 25946 41 1 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.745 -0.001 25946 42 1 . 1 1 22 22 ASN H H 22 8.659 8.659 8.059 0.600 25946 43 1 . 1 1 23 23 PHE HA H 23 4.670 4.670 4.891 -0.221 25946 44 1 . 1 1 23 23 PHE H H 23 8.412 8.412 7.193 1.219 25946 45 1 . 1 1 24 24 GLY H H 24 8.477 8.477 8.516 -0.039 25946 46 1 . 1 1 25 25 TYR HA H 25 4.783 4.783 4.744 0.039 25946 47 1 . 1 1 25 25 TYR H H 25 8.182 8.182 8.174 0.008 25946 48 1 . 1 1 26 26 THR HA H 26 4.416 4.416 4.259 0.157 25946 49 1 . 1 1 26 26 THR H H 26 8.307 8.307 8.728 -0.421 25946 50 1 . 1 1 27 27 LEU HA H 27 4.488 4.488 4.310 0.178 25946 51 1 . 1 1 27 27 LEU H H 27 8.436 8.436 7.935 0.501 25946 stop_ save_