data_25424 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25424 _Entry.PDB_ID 2MXQ 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 25424 _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 CYS HA H 2 5.938 5.938 4.802 1.136 25424 2 1 1 . 1 1 2 2 CYS H H 2 9.170 9.170 7.717 1.453 25424 3 1 1 . 1 1 3 3 THR HA H 3 4.383 4.383 4.380 0.003 25424 4 1 1 . 1 1 3 3 THR H H 3 9.174 9.174 7.711 1.463 25424 5 1 1 . 1 1 4 4 CYS H H 4 9.317 9.317 8.713 0.604 25424 6 1 1 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.690 -0.064 25424 7 1 1 . 1 1 5 5 ARG H H 5 9.553 9.553 7.901 1.652 25424 8 1 1 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.376 -0.363 25424 9 1 1 . 1 1 6 6 ARG H H 6 8.844 8.844 8.561 0.283 25424 10 1 1 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.479 -0.314 25424 11 1 1 . 1 1 7 7 ALA H H 7 7.571 7.571 8.330 -0.759 25424 12 1 1 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.529 0.068 25424 13 1 1 . 1 1 8 8 TRP H H 8 8.607 8.607 8.752 -0.145 25424 14 1 1 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.430 -0.059 25424 15 1 1 . 1 1 9 9 ILE H H 9 7.162 7.162 7.585 -0.423 25424 16 1 1 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.604 0.180 25424 17 1 1 . 1 1 10 10 CYS H H 10 8.576 8.576 8.040 0.536 25424 18 1 1 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.022 0.288 25424 19 1 1 . 1 1 11 11 ARG H H 11 8.032 8.032 8.653 -0.621 25424 20 1 1 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.753 -0.438 25424 21 1 1 . 1 1 12 12 TRP H H 12 8.676 8.676 7.883 0.793 25424 22 1 1 . 1 1 13 13 GLY H H 13 8.348 8.348 8.505 -0.157 25424 23 1 1 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.515 0.194 25424 24 1 1 . 1 1 14 14 GLU H H 14 7.908 7.908 8.003 -0.095 25424 25 1 1 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.723 -0.050 25424 26 1 1 . 1 1 15 15 ARG H H 15 9.226 9.226 8.567 0.659 25424 27 1 1 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.520 0.743 25424 28 1 1 . 1 1 16 16 HIS H H 16 9.458 9.458 8.817 0.641 25424 29 1 1 . 1 1 17 17 SER HA H 17 4.610 4.610 4.243 0.367 25424 30 1 1 . 1 1 17 17 SER H H 17 8.861 8.861 8.122 0.739 25424 31 1 1 . 1 1 18 18 GLY H H 18 7.157 7.157 6.394 0.763 25424 32 1 1 . 1 1 19 19 LYS H H 19 8.418 8.418 8.120 0.298 25424 33 1 1 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.452 0.134 25424 34 1 1 . 1 1 23 23 GLN H H 23 8.372 8.372 8.341 0.031 25424 35 1 1 . 1 1 25 25 GLY H H 25 8.619 8.619 8.848 -0.229 25424 36 1 1 . 1 1 26 26 SER HA H 26 4.420 4.420 4.170 0.250 25424 37 1 1 . 1 1 26 26 SER H H 26 8.733 8.733 8.003 0.730 25424 38 1 1 . 1 1 27 27 THR HA H 27 3.730 3.730 4.110 -0.380 25424 39 1 1 . 1 1 27 27 THR H H 27 7.909 7.909 7.374 0.535 25424 40 1 1 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.212 0.508 25424 41 1 1 . 1 1 28 28 TYR H H 28 8.213 8.213 7.808 0.405 25424 42 1 1 . 1 1 29 29 ARG H H 29 6.694 6.694 8.192 -1.498 25424 43 1 1 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.253 0.390 25424 44 1 1 . 1 1 30 30 LEU H H 30 8.720 8.720 8.416 0.304 25424 45 1 1 . 1 1 31 31 CYS HA H 31 5.482 5.482 4.729 0.753 25424 46 1 1 . 1 1 31 31 CYS H H 31 8.772 8.772 8.345 0.427 25424 47 1 1 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.858 0.618 25424 48 1 1 . 1 1 32 32 CYS H H 32 9.400 9.400 9.116 0.284 25424 49 1 1 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.713 -0.199 25424 50 1 1 . 1 1 33 33 ARG H H 33 8.718 8.718 8.734 -0.016 25424 51 1 2 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.725 1.213 25424 52 1 2 . 1 1 2 2 CYS H H 2 9.170 9.170 8.335 0.835 25424 53 1 2 . 1 1 3 3 THR HA H 3 4.383 4.383 4.440 -0.057 25424 54 1 2 . 1 1 3 3 THR H H 3 9.174 9.174 7.858 1.316 25424 55 1 2 . 1 1 4 4 CYS H H 4 9.317 9.317 8.645 0.672 25424 56 1 2 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.600 0.026 25424 57 1 2 . 1 1 5 5 ARG H H 5 9.553 9.553 8.166 1.387 25424 58 1 2 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.363 -0.350 25424 59 1 2 . 1 1 6 6 ARG H H 6 8.844 8.844 8.543 0.301 25424 60 1 2 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.334 -0.169 25424 61 1 2 . 1 1 7 7 ALA H H 7 7.571 7.571 8.435 -0.864 25424 62 1 2 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.531 0.066 25424 63 1 2 . 1 1 8 8 TRP H H 8 8.607 8.607 8.615 -0.008 25424 64 1 2 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.413 -0.042 25424 65 1 2 . 1 1 9 9 ILE H H 9 7.162 7.162 7.479 -0.317 25424 66 1 2 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.684 0.100 25424 67 1 2 . 1 1 10 10 CYS H H 10 8.576 8.576 8.214 0.362 25424 68 1 2 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.118 0.192 25424 69 1 2 . 1 1 11 11 ARG H H 11 8.032 8.032 8.488 -0.456 25424 70 1 2 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.657 -0.342 25424 71 1 2 . 1 1 12 12 TRP H H 12 8.676 8.676 7.919 0.757 25424 72 1 2 . 1 1 13 13 GLY H H 13 8.348 8.348 8.581 -0.233 25424 73 1 2 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.580 0.129 25424 74 1 2 . 1 1 14 14 GLU H H 14 7.908 7.908 7.876 0.032 25424 75 1 2 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.730 -0.057 25424 76 1 2 . 1 1 15 15 ARG H H 15 9.226 9.226 9.025 0.201 25424 77 1 2 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.980 0.283 25424 78 1 2 . 1 1 16 16 HIS H H 16 9.458 9.458 8.546 0.912 25424 79 1 2 . 1 1 17 17 SER HA H 17 4.610 4.610 4.162 0.448 25424 80 1 2 . 1 1 17 17 SER H H 17 8.861 8.861 8.677 0.184 25424 81 1 2 . 1 1 18 18 GLY H H 18 7.157 7.157 7.606 -0.449 25424 82 1 2 . 1 1 19 19 LYS H H 19 8.418 8.418 8.173 0.245 25424 83 1 2 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.158 0.428 25424 84 1 2 . 1 1 23 23 GLN H H 23 8.372 8.372 8.290 0.082 25424 85 1 2 . 1 1 25 25 GLY H H 25 8.619 8.619 7.659 0.960 25424 86 1 2 . 1 1 26 26 SER HA H 26 4.420 4.420 4.176 0.244 25424 87 1 2 . 1 1 26 26 SER H H 26 8.733 8.733 8.504 0.229 25424 88 1 2 . 1 1 27 27 THR HA H 27 3.730 3.730 4.171 -0.441 25424 89 1 2 . 1 1 27 27 THR H H 27 7.909 7.909 7.014 0.895 25424 90 1 2 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.184 0.536 25424 91 1 2 . 1 1 28 28 TYR H H 28 8.213 8.213 7.777 0.436 25424 92 1 2 . 1 1 29 29 ARG H H 29 6.694 6.694 8.382 -1.688 25424 93 1 2 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.172 0.471 25424 94 1 2 . 1 1 30 30 LEU H H 30 8.720 8.720 8.605 0.115 25424 95 1 2 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.158 0.324 25424 96 1 2 . 1 1 31 31 CYS H H 31 8.772 8.772 8.210 0.562 25424 97 1 2 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.785 0.691 25424 98 1 2 . 1 1 32 32 CYS H H 32 9.400 9.400 8.672 0.728 25424 99 1 2 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.630 -0.116 25424 100 1 2 . 1 1 33 33 ARG H H 33 8.718 8.718 8.741 -0.023 25424 101 1 3 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.092 1.846 25424 102 1 3 . 1 1 2 2 CYS H H 2 9.170 9.170 9.019 0.151 25424 103 1 3 . 1 1 3 3 THR HA H 3 4.383 4.383 4.104 0.279 25424 104 1 3 . 1 1 3 3 THR H H 3 9.174 9.174 7.597 1.577 25424 105 1 3 . 1 1 4 4 CYS H H 4 9.317 9.317 8.846 0.471 25424 106 1 3 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.659 -0.033 25424 107 1 3 . 1 1 5 5 ARG H H 5 9.553 9.553 8.324 1.229 25424 108 1 3 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.889 -0.876 25424 109 1 3 . 1 1 6 6 ARG H H 6 8.844 8.844 8.765 0.079 25424 110 1 3 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.518 -0.353 25424 111 1 3 . 1 1 7 7 ALA H H 7 7.571 7.571 8.327 -0.756 25424 112 1 3 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.667 -0.070 25424 113 1 3 . 1 1 8 8 TRP H H 8 8.607 8.607 8.571 0.036 25424 114 1 3 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.419 -0.048 25424 115 1 3 . 1 1 9 9 ILE H H 9 7.162 7.162 7.301 -0.139 25424 116 1 3 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.672 0.112 25424 117 1 3 . 1 1 10 10 CYS H H 10 8.576 8.576 8.005 0.571 25424 118 1 3 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.084 0.226 25424 119 1 3 . 1 1 11 11 ARG H H 11 8.032 8.032 8.720 -0.688 25424 120 1 3 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.676 -0.361 25424 121 1 3 . 1 1 12 12 TRP H H 12 8.676 8.676 7.774 0.902 25424 122 1 3 . 1 1 13 13 GLY H H 13 8.348 8.348 8.786 -0.438 25424 123 1 3 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.337 0.372 25424 124 1 3 . 1 1 14 14 GLU H H 14 7.908 7.908 8.034 -0.126 25424 125 1 3 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.611 0.062 25424 126 1 3 . 1 1 15 15 ARG H H 15 9.226 9.226 8.399 0.827 25424 127 1 3 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.687 0.576 25424 128 1 3 . 1 1 16 16 HIS H H 16 9.458 9.458 8.632 0.826 25424 129 1 3 . 1 1 17 17 SER HA H 17 4.610 4.610 4.386 0.224 25424 130 1 3 . 1 1 17 17 SER H H 17 8.861 8.861 8.564 0.297 25424 131 1 3 . 1 1 18 18 GLY H H 18 7.157 7.157 7.375 -0.218 25424 132 1 3 . 1 1 19 19 LYS H H 19 8.418 8.418 8.440 -0.022 25424 133 1 3 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.319 0.267 25424 134 1 3 . 1 1 23 23 GLN H H 23 8.372 8.372 8.453 -0.081 25424 135 1 3 . 1 1 25 25 GLY H H 25 8.619 8.619 7.949 0.670 25424 136 1 3 . 1 1 26 26 SER HA H 26 4.420 4.420 4.306 0.114 25424 137 1 3 . 1 1 26 26 SER H H 26 8.733 8.733 8.480 0.253 25424 138 1 3 . 1 1 27 27 THR HA H 27 3.730 3.730 4.692 -0.962 25424 139 1 3 . 1 1 27 27 THR H H 27 7.909 7.909 8.068 -0.159 25424 140 1 3 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.389 0.331 25424 141 1 3 . 1 1 28 28 TYR H H 28 8.213 8.213 7.864 0.349 25424 142 1 3 . 1 1 29 29 ARG H H 29 6.694 6.694 8.199 -1.505 25424 143 1 3 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.339 0.304 25424 144 1 3 . 1 1 30 30 LEU H H 30 8.720 8.720 7.631 1.089 25424 145 1 3 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.163 0.319 25424 146 1 3 . 1 1 31 31 CYS H H 31 8.772 8.772 8.256 0.516 25424 147 1 3 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.878 0.598 25424 148 1 3 . 1 1 32 32 CYS H H 32 9.400 9.400 8.922 0.478 25424 149 1 3 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.510 0.004 25424 150 1 3 . 1 1 33 33 ARG H H 33 8.718 8.718 8.642 0.076 25424 151 1 4 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.673 1.265 25424 152 1 4 . 1 1 2 2 CYS H H 2 9.170 9.170 8.983 0.187 25424 153 1 4 . 1 1 3 3 THR HA H 3 4.383 4.383 4.435 -0.052 25424 154 1 4 . 1 1 3 3 THR H H 3 9.174 9.174 7.787 1.387 25424 155 1 4 . 1 1 4 4 CYS H H 4 9.317 9.317 8.862 0.455 25424 156 1 4 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.620 0.006 25424 157 1 4 . 1 1 5 5 ARG H H 5 9.553 9.553 7.954 1.599 25424 158 1 4 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.781 -0.768 25424 159 1 4 . 1 1 6 6 ARG H H 6 8.844 8.844 8.594 0.250 25424 160 1 4 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.110 0.055 25424 161 1 4 . 1 1 7 7 ALA H H 7 7.571 7.571 8.480 -0.909 25424 162 1 4 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.792 -0.195 25424 163 1 4 . 1 1 8 8 TRP H H 8 8.607 8.607 8.536 0.071 25424 164 1 4 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.458 -0.087 25424 165 1 4 . 1 1 9 9 ILE H H 9 7.162 7.162 7.422 -0.260 25424 166 1 4 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.521 0.263 25424 167 1 4 . 1 1 10 10 CYS H H 10 8.576 8.576 8.037 0.539 25424 168 1 4 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.065 0.245 25424 169 1 4 . 1 1 11 11 ARG H H 11 8.032 8.032 8.567 -0.535 25424 170 1 4 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.690 -0.375 25424 171 1 4 . 1 1 12 12 TRP H H 12 8.676 8.676 7.812 0.864 25424 172 1 4 . 1 1 13 13 GLY H H 13 8.348 8.348 8.541 -0.193 25424 173 1 4 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.591 0.118 25424 174 1 4 . 1 1 14 14 GLU H H 14 7.908 7.908 7.935 -0.027 25424 175 1 4 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.205 0.468 25424 176 1 4 . 1 1 15 15 ARG H H 15 9.226 9.226 8.171 1.055 25424 177 1 4 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.786 0.477 25424 178 1 4 . 1 1 16 16 HIS H H 16 9.458 9.458 8.774 0.684 25424 179 1 4 . 1 1 17 17 SER HA H 17 4.610 4.610 4.562 0.048 25424 180 1 4 . 1 1 17 17 SER H H 17 8.861 8.861 8.820 0.041 25424 181 1 4 . 1 1 18 18 GLY H H 18 7.157 7.157 8.037 -0.880 25424 182 1 4 . 1 1 19 19 LYS H H 19 8.418 8.418 8.290 0.128 25424 183 1 4 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.184 0.402 25424 184 1 4 . 1 1 23 23 GLN H H 23 8.372 8.372 8.063 0.309 25424 185 1 4 . 1 1 25 25 GLY H H 25 8.619 8.619 7.816 0.803 25424 186 1 4 . 1 1 26 26 SER HA H 26 4.420 4.420 4.308 0.112 25424 187 1 4 . 1 1 26 26 SER H H 26 8.733 8.733 8.665 0.068 25424 188 1 4 . 1 1 27 27 THR HA H 27 3.730 3.730 4.164 -0.434 25424 189 1 4 . 1 1 27 27 THR H H 27 7.909 7.909 7.895 0.014 25424 190 1 4 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.170 0.550 25424 191 1 4 . 1 1 28 28 TYR H H 28 8.213 8.213 7.856 0.357 25424 192 1 4 . 1 1 29 29 ARG H H 29 6.694 6.694 7.959 -1.265 25424 193 1 4 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.552 0.091 25424 194 1 4 . 1 1 30 30 LEU H H 30 8.720 8.720 7.623 1.097 25424 195 1 4 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.140 0.342 25424 196 1 4 . 1 1 31 31 CYS H H 31 8.772 8.772 7.711 1.061 25424 197 1 4 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.721 0.755 25424 198 1 4 . 1 1 32 32 CYS H H 32 9.400 9.400 8.746 0.654 25424 199 1 4 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.329 0.185 25424 200 1 4 . 1 1 33 33 ARG H H 33 8.718 8.718 8.622 0.096 25424 201 1 5 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.076 1.862 25424 202 1 5 . 1 1 2 2 CYS H H 2 9.170 9.170 8.675 0.495 25424 203 1 5 . 1 1 3 3 THR HA H 3 4.383 4.383 4.175 0.208 25424 204 1 5 . 1 1 3 3 THR H H 3 9.174 9.174 7.645 1.529 25424 205 1 5 . 1 1 4 4 CYS H H 4 9.317 9.317 8.752 0.565 25424 206 1 5 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.671 -0.045 25424 207 1 5 . 1 1 5 5 ARG H H 5 9.553 9.553 7.600 1.953 25424 208 1 5 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.839 -0.826 25424 209 1 5 . 1 1 6 6 ARG H H 6 8.844 8.844 8.762 0.082 25424 210 1 5 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.578 -0.413 25424 211 1 5 . 1 1 7 7 ALA H H 7 7.571 7.571 8.178 -0.607 25424 212 1 5 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.572 0.025 25424 213 1 5 . 1 1 8 8 TRP H H 8 8.607 8.607 8.400 0.207 25424 214 1 5 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.479 -0.108 25424 215 1 5 . 1 1 9 9 ILE H H 9 7.162 7.162 7.501 -0.339 25424 216 1 5 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.549 0.235 25424 217 1 5 . 1 1 10 10 CYS H H 10 8.576 8.576 7.962 0.614 25424 218 1 5 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.075 0.235 25424 219 1 5 . 1 1 11 11 ARG H H 11 8.032 8.032 8.664 -0.632 25424 220 1 5 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.695 -0.380 25424 221 1 5 . 1 1 12 12 TRP H H 12 8.676 8.676 7.842 0.834 25424 222 1 5 . 1 1 13 13 GLY H H 13 8.348 8.348 8.688 -0.340 25424 223 1 5 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.764 -0.055 25424 224 1 5 . 1 1 14 14 GLU H H 14 7.908 7.908 7.982 -0.074 25424 225 1 5 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.737 -0.064 25424 226 1 5 . 1 1 15 15 ARG H H 15 9.226 9.226 8.827 0.399 25424 227 1 5 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.914 0.349 25424 228 1 5 . 1 1 16 16 HIS H H 16 9.458 9.458 8.766 0.692 25424 229 1 5 . 1 1 17 17 SER HA H 17 4.610 4.610 4.391 0.219 25424 230 1 5 . 1 1 17 17 SER H H 17 8.861 8.861 8.837 0.024 25424 231 1 5 . 1 1 18 18 GLY H H 18 7.157 7.157 7.954 -0.797 25424 232 1 5 . 1 1 19 19 LYS H H 19 8.418 8.418 8.140 0.278 25424 233 1 5 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.396 0.190 25424 234 1 5 . 1 1 23 23 GLN H H 23 8.372 8.372 8.205 0.167 25424 235 1 5 . 1 1 25 25 GLY H H 25 8.619 8.619 8.153 0.466 25424 236 1 5 . 1 1 26 26 SER HA H 26 4.420 4.420 4.435 -0.015 25424 237 1 5 . 1 1 26 26 SER H H 26 8.733 8.733 8.361 0.372 25424 238 1 5 . 1 1 27 27 THR HA H 27 3.730 3.730 4.562 -0.832 25424 239 1 5 . 1 1 27 27 THR H H 27 7.909 7.909 8.132 -0.223 25424 240 1 5 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.547 0.173 25424 241 1 5 . 1 1 28 28 TYR H H 28 8.213 8.213 7.866 0.347 25424 242 1 5 . 1 1 29 29 ARG H H 29 6.694 6.694 8.129 -1.435 25424 243 1 5 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.331 0.312 25424 244 1 5 . 1 1 30 30 LEU H H 30 8.720 8.720 8.264 0.456 25424 245 1 5 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.383 0.099 25424 246 1 5 . 1 1 31 31 CYS H H 31 8.772 8.772 8.425 0.347 25424 247 1 5 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.835 0.641 25424 248 1 5 . 1 1 32 32 CYS H H 32 9.400 9.400 9.136 0.264 25424 249 1 5 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.570 -0.056 25424 250 1 5 . 1 1 33 33 ARG H H 33 8.718 8.718 8.593 0.125 25424 251 1 6 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.693 1.245 25424 252 1 6 . 1 1 2 2 CYS H H 2 9.170 9.170 9.108 0.062 25424 253 1 6 . 1 1 3 3 THR HA H 3 4.383 4.383 4.396 -0.013 25424 254 1 6 . 1 1 3 3 THR H H 3 9.174 9.174 7.858 1.316 25424 255 1 6 . 1 1 4 4 CYS H H 4 9.317 9.317 8.726 0.591 25424 256 1 6 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.694 -0.068 25424 257 1 6 . 1 1 5 5 ARG H H 5 9.553 9.553 8.142 1.411 25424 258 1 6 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.428 -0.415 25424 259 1 6 . 1 1 6 6 ARG H H 6 8.844 8.844 8.719 0.125 25424 260 1 6 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.541 -0.376 25424 261 1 6 . 1 1 7 7 ALA H H 7 7.571 7.571 8.119 -0.548 25424 262 1 6 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.458 0.139 25424 263 1 6 . 1 1 8 8 TRP H H 8 8.607 8.607 8.480 0.127 25424 264 1 6 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.379 -0.008 25424 265 1 6 . 1 1 9 9 ILE H H 9 7.162 7.162 7.626 -0.464 25424 266 1 6 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.788 -0.004 25424 267 1 6 . 1 1 10 10 CYS H H 10 8.576 8.576 8.659 -0.083 25424 268 1 6 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.518 -0.208 25424 269 1 6 . 1 1 11 11 ARG H H 11 8.032 8.032 8.688 -0.656 25424 270 1 6 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.960 -0.645 25424 271 1 6 . 1 1 12 12 TRP H H 12 8.676 8.676 7.674 1.002 25424 272 1 6 . 1 1 13 13 GLY H H 13 8.348 8.348 8.464 -0.116 25424 273 1 6 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.138 0.571 25424 274 1 6 . 1 1 14 14 GLU H H 14 7.908 7.908 8.007 -0.099 25424 275 1 6 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.721 -0.048 25424 276 1 6 . 1 1 15 15 ARG H H 15 9.226 9.226 8.814 0.412 25424 277 1 6 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.984 0.279 25424 278 1 6 . 1 1 16 16 HIS H H 16 9.458 9.458 8.653 0.805 25424 279 1 6 . 1 1 17 17 SER HA H 17 4.610 4.610 4.251 0.359 25424 280 1 6 . 1 1 17 17 SER H H 17 8.861 8.861 8.237 0.624 25424 281 1 6 . 1 1 18 18 GLY H H 18 7.157 7.157 6.507 0.650 25424 282 1 6 . 1 1 19 19 LYS H H 19 8.418 8.418 8.291 0.127 25424 283 1 6 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.487 0.099 25424 284 1 6 . 1 1 23 23 GLN H H 23 8.372 8.372 8.139 0.233 25424 285 1 6 . 1 1 25 25 GLY H H 25 8.619 8.619 7.953 0.666 25424 286 1 6 . 1 1 26 26 SER HA H 26 4.420 4.420 4.431 -0.011 25424 287 1 6 . 1 1 26 26 SER H H 26 8.733 8.733 7.939 0.794 25424 288 1 6 . 1 1 27 27 THR HA H 27 3.730 3.730 4.506 -0.776 25424 289 1 6 . 1 1 27 27 THR H H 27 7.909 7.909 7.546 0.363 25424 290 1 6 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.726 -0.006 25424 291 1 6 . 1 1 28 28 TYR H H 28 8.213 8.213 7.367 0.846 25424 292 1 6 . 1 1 29 29 ARG H H 29 6.694 6.694 8.739 -2.045 25424 293 1 6 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.504 0.139 25424 294 1 6 . 1 1 30 30 LEU H H 30 8.720 8.720 8.336 0.384 25424 295 1 6 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.409 0.073 25424 296 1 6 . 1 1 31 31 CYS H H 31 8.772 8.772 7.875 0.897 25424 297 1 6 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.923 0.553 25424 298 1 6 . 1 1 32 32 CYS H H 32 9.400 9.400 9.277 0.123 25424 299 1 6 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.411 0.103 25424 300 1 6 . 1 1 33 33 ARG H H 33 8.718 8.718 8.654 0.064 25424 301 1 7 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.693 1.245 25424 302 1 7 . 1 1 2 2 CYS H H 2 9.170 9.170 8.585 0.585 25424 303 1 7 . 1 1 3 3 THR HA H 3 4.383 4.383 4.388 -0.005 25424 304 1 7 . 1 1 3 3 THR H H 3 9.174 9.174 7.706 1.468 25424 305 1 7 . 1 1 4 4 CYS H H 4 9.317 9.317 8.513 0.804 25424 306 1 7 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.907 -0.281 25424 307 1 7 . 1 1 5 5 ARG H H 5 9.553 9.553 7.896 1.657 25424 308 1 7 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.875 -0.862 25424 309 1 7 . 1 1 6 6 ARG H H 6 8.844 8.844 8.437 0.407 25424 310 1 7 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.269 -0.104 25424 311 1 7 . 1 1 7 7 ALA H H 7 7.571 7.571 8.323 -0.752 25424 312 1 7 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.388 0.209 25424 313 1 7 . 1 1 8 8 TRP H H 8 8.607 8.607 8.293 0.314 25424 314 1 7 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.369 0.002 25424 315 1 7 . 1 1 9 9 ILE H H 9 7.162 7.162 7.626 -0.464 25424 316 1 7 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.631 0.153 25424 317 1 7 . 1 1 10 10 CYS H H 10 8.576 8.576 8.284 0.292 25424 318 1 7 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.086 0.224 25424 319 1 7 . 1 1 11 11 ARG H H 11 8.032 8.032 8.503 -0.471 25424 320 1 7 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.706 -0.391 25424 321 1 7 . 1 1 12 12 TRP H H 12 8.676 8.676 7.900 0.776 25424 322 1 7 . 1 1 13 13 GLY H H 13 8.348 8.348 8.512 -0.164 25424 323 1 7 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.688 0.021 25424 324 1 7 . 1 1 14 14 GLU H H 14 7.908 7.908 7.907 0.001 25424 325 1 7 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.737 -0.064 25424 326 1 7 . 1 1 15 15 ARG H H 15 9.226 9.226 8.895 0.331 25424 327 1 7 . 1 1 16 16 HIS HA H 16 5.263 5.263 5.146 0.117 25424 328 1 7 . 1 1 16 16 HIS H H 16 9.458 9.458 8.518 0.940 25424 329 1 7 . 1 1 17 17 SER HA H 17 4.610 4.610 4.143 0.467 25424 330 1 7 . 1 1 17 17 SER H H 17 8.861 8.861 8.482 0.379 25424 331 1 7 . 1 1 18 18 GLY H H 18 7.157 7.157 7.400 -0.243 25424 332 1 7 . 1 1 19 19 LYS H H 19 8.418 8.418 8.100 0.318 25424 333 1 7 . 1 1 23 23 GLN HA H 23 4.586 4.586 3.930 0.656 25424 334 1 7 . 1 1 23 23 GLN H H 23 8.372 8.372 8.321 0.051 25424 335 1 7 . 1 1 25 25 GLY H H 25 8.619 8.619 7.659 0.960 25424 336 1 7 . 1 1 26 26 SER HA H 26 4.420 4.420 4.510 -0.090 25424 337 1 7 . 1 1 26 26 SER H H 26 8.733 8.733 8.047 0.686 25424 338 1 7 . 1 1 27 27 THR HA H 27 3.730 3.730 4.010 -0.280 25424 339 1 7 . 1 1 27 27 THR H H 27 7.909 7.909 8.741 -0.832 25424 340 1 7 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.313 0.407 25424 341 1 7 . 1 1 28 28 TYR H H 28 8.213 8.213 8.005 0.208 25424 342 1 7 . 1 1 29 29 ARG H H 29 6.694 6.694 8.430 -1.736 25424 343 1 7 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.141 0.502 25424 344 1 7 . 1 1 30 30 LEU H H 30 8.720 8.720 8.154 0.566 25424 345 1 7 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.241 0.241 25424 346 1 7 . 1 1 31 31 CYS H H 31 8.772 8.772 8.422 0.350 25424 347 1 7 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.848 0.628 25424 348 1 7 . 1 1 32 32 CYS H H 32 9.400 9.400 8.687 0.713 25424 349 1 7 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.629 -0.115 25424 350 1 7 . 1 1 33 33 ARG H H 33 8.718 8.718 8.718 -0.000 25424 351 1 8 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.152 1.786 25424 352 1 8 . 1 1 2 2 CYS H H 2 9.170 9.170 8.584 0.586 25424 353 1 8 . 1 1 3 3 THR HA H 3 4.383 4.383 4.133 0.250 25424 354 1 8 . 1 1 3 3 THR H H 3 9.174 9.174 7.772 1.402 25424 355 1 8 . 1 1 4 4 CYS H H 4 9.317 9.317 8.863 0.454 25424 356 1 8 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.287 0.339 25424 357 1 8 . 1 1 5 5 ARG H H 5 9.553 9.553 8.153 1.400 25424 358 1 8 . 1 1 6 6 ARG HA H 6 4.013 4.013 3.976 0.037 25424 359 1 8 . 1 1 6 6 ARG H H 6 8.844 8.844 8.284 0.560 25424 360 1 8 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.241 -0.076 25424 361 1 8 . 1 1 7 7 ALA H H 7 7.571 7.571 7.598 -0.027 25424 362 1 8 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.370 0.227 25424 363 1 8 . 1 1 8 8 TRP H H 8 8.607 8.607 7.901 0.706 25424 364 1 8 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.153 0.218 25424 365 1 8 . 1 1 9 9 ILE H H 9 7.162 7.162 7.530 -0.368 25424 366 1 8 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.499 0.285 25424 367 1 8 . 1 1 10 10 CYS H H 10 8.576 8.576 7.891 0.685 25424 368 1 8 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.071 0.239 25424 369 1 8 . 1 1 11 11 ARG H H 11 8.032 8.032 8.660 -0.628 25424 370 1 8 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.687 -0.372 25424 371 1 8 . 1 1 12 12 TRP H H 12 8.676 8.676 7.849 0.827 25424 372 1 8 . 1 1 13 13 GLY H H 13 8.348 8.348 8.739 -0.391 25424 373 1 8 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.744 -0.035 25424 374 1 8 . 1 1 14 14 GLU H H 14 7.908 7.908 8.082 -0.174 25424 375 1 8 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.765 -0.092 25424 376 1 8 . 1 1 15 15 ARG H H 15 9.226 9.226 8.784 0.442 25424 377 1 8 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.837 0.426 25424 378 1 8 . 1 1 16 16 HIS H H 16 9.458 9.458 8.783 0.675 25424 379 1 8 . 1 1 17 17 SER HA H 17 4.610 4.610 4.359 0.251 25424 380 1 8 . 1 1 17 17 SER H H 17 8.861 8.861 8.613 0.248 25424 381 1 8 . 1 1 18 18 GLY H H 18 7.157 7.157 6.969 0.188 25424 382 1 8 . 1 1 19 19 LYS H H 19 8.418 8.418 8.301 0.117 25424 383 1 8 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.326 0.260 25424 384 1 8 . 1 1 23 23 GLN H H 23 8.372 8.372 8.674 -0.302 25424 385 1 8 . 1 1 25 25 GLY H H 25 8.619 8.619 7.958 0.661 25424 386 1 8 . 1 1 26 26 SER HA H 26 4.420 4.420 4.394 0.026 25424 387 1 8 . 1 1 26 26 SER H H 26 8.733 8.733 6.853 1.880 25424 388 1 8 . 1 1 27 27 THR HA H 27 3.730 3.730 4.463 -0.733 25424 389 1 8 . 1 1 27 27 THR H H 27 7.909 7.909 7.810 0.099 25424 390 1 8 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.901 -0.181 25424 391 1 8 . 1 1 28 28 TYR H H 28 8.213 8.213 7.006 1.207 25424 392 1 8 . 1 1 29 29 ARG H H 29 6.694 6.694 8.446 -1.752 25424 393 1 8 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.966 -0.323 25424 394 1 8 . 1 1 30 30 LEU H H 30 8.720 8.720 8.273 0.447 25424 395 1 8 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.390 0.092 25424 396 1 8 . 1 1 31 31 CYS H H 31 8.772 8.772 8.001 0.771 25424 397 1 8 . 1 1 32 32 CYS HA H 32 5.476 5.476 5.157 0.319 25424 398 1 8 . 1 1 32 32 CYS H H 32 9.400 9.400 9.136 0.264 25424 399 1 8 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.549 -0.035 25424 400 1 8 . 1 1 33 33 ARG H H 33 8.718 8.718 8.835 -0.117 25424 401 1 9 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.642 1.296 25424 402 1 9 . 1 1 2 2 CYS H H 2 9.170 9.170 8.517 0.653 25424 403 1 9 . 1 1 3 3 THR HA H 3 4.383 4.383 4.340 0.043 25424 404 1 9 . 1 1 3 3 THR H H 3 9.174 9.174 8.142 1.032 25424 405 1 9 . 1 1 4 4 CYS H H 4 9.317 9.317 8.433 0.884 25424 406 1 9 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.682 -0.056 25424 407 1 9 . 1 1 5 5 ARG H H 5 9.553 9.553 8.185 1.368 25424 408 1 9 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.467 -0.454 25424 409 1 9 . 1 1 6 6 ARG H H 6 8.844 8.844 8.537 0.307 25424 410 1 9 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.325 -0.160 25424 411 1 9 . 1 1 7 7 ALA H H 7 7.571 7.571 8.096 -0.525 25424 412 1 9 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.715 -0.118 25424 413 1 9 . 1 1 8 8 TRP H H 8 8.607 8.607 7.764 0.843 25424 414 1 9 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.393 -0.022 25424 415 1 9 . 1 1 9 9 ILE H H 9 7.162 7.162 6.978 0.184 25424 416 1 9 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.585 0.199 25424 417 1 9 . 1 1 10 10 CYS H H 10 8.576 8.576 7.991 0.585 25424 418 1 9 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.005 0.305 25424 419 1 9 . 1 1 11 11 ARG H H 11 8.032 8.032 8.940 -0.908 25424 420 1 9 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.720 -0.405 25424 421 1 9 . 1 1 12 12 TRP H H 12 8.676 8.676 7.838 0.838 25424 422 1 9 . 1 1 13 13 GLY H H 13 8.348 8.348 8.617 -0.269 25424 423 1 9 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.899 -0.190 25424 424 1 9 . 1 1 14 14 GLU H H 14 7.908 7.908 8.014 -0.106 25424 425 1 9 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.718 -0.045 25424 426 1 9 . 1 1 15 15 ARG H H 15 9.226 9.226 8.366 0.860 25424 427 1 9 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.834 0.429 25424 428 1 9 . 1 1 16 16 HIS H H 16 9.458 9.458 8.716 0.742 25424 429 1 9 . 1 1 17 17 SER HA H 17 4.610 4.610 4.205 0.405 25424 430 1 9 . 1 1 17 17 SER H H 17 8.861 8.861 8.205 0.656 25424 431 1 9 . 1 1 18 18 GLY H H 18 7.157 7.157 6.835 0.322 25424 432 1 9 . 1 1 19 19 LYS H H 19 8.418 8.418 8.206 0.212 25424 433 1 9 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.080 0.506 25424 434 1 9 . 1 1 23 23 GLN H H 23 8.372 8.372 8.514 -0.142 25424 435 1 9 . 1 1 25 25 GLY H H 25 8.619 8.619 8.246 0.373 25424 436 1 9 . 1 1 26 26 SER HA H 26 4.420 4.420 4.614 -0.194 25424 437 1 9 . 1 1 26 26 SER H H 26 8.733 8.733 7.665 1.068 25424 438 1 9 . 1 1 27 27 THR HA H 27 3.730 3.730 4.557 -0.827 25424 439 1 9 . 1 1 27 27 THR H H 27 7.909 7.909 8.094 -0.185 25424 440 1 9 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.908 -0.188 25424 441 1 9 . 1 1 28 28 TYR H H 28 8.213 8.213 7.275 0.938 25424 442 1 9 . 1 1 29 29 ARG H H 29 6.694 6.694 8.658 -1.964 25424 443 1 9 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.302 0.341 25424 444 1 9 . 1 1 30 30 LEU H H 30 8.720 8.720 8.406 0.314 25424 445 1 9 . 1 1 31 31 CYS HA H 31 5.482 5.482 4.979 0.503 25424 446 1 9 . 1 1 31 31 CYS H H 31 8.772 8.772 8.090 0.682 25424 447 1 9 . 1 1 32 32 CYS HA H 32 5.476 5.476 5.011 0.465 25424 448 1 9 . 1 1 32 32 CYS H H 32 9.400 9.400 8.991 0.409 25424 449 1 9 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.640 -0.126 25424 450 1 9 . 1 1 33 33 ARG H H 33 8.718 8.718 8.362 0.356 25424 451 1 10 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.566 1.372 25424 452 1 10 . 1 1 2 2 CYS H H 2 9.170 9.170 7.610 1.560 25424 453 1 10 . 1 1 3 3 THR HA H 3 4.383 4.383 4.191 0.192 25424 454 1 10 . 1 1 3 3 THR H H 3 9.174 9.174 8.174 1.000 25424 455 1 10 . 1 1 4 4 CYS H H 4 9.317 9.317 8.426 0.891 25424 456 1 10 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.715 -0.089 25424 457 1 10 . 1 1 5 5 ARG H H 5 9.553 9.553 8.047 1.506 25424 458 1 10 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.921 -0.908 25424 459 1 10 . 1 1 6 6 ARG H H 6 8.844 8.844 8.817 0.027 25424 460 1 10 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.690 -0.525 25424 461 1 10 . 1 1 7 7 ALA H H 7 7.571 7.571 8.334 -0.763 25424 462 1 10 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.821 -0.224 25424 463 1 10 . 1 1 8 8 TRP H H 8 8.607 8.607 8.370 0.237 25424 464 1 10 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.286 0.085 25424 465 1 10 . 1 1 9 9 ILE H H 9 7.162 7.162 7.587 -0.425 25424 466 1 10 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.571 0.213 25424 467 1 10 . 1 1 10 10 CYS H H 10 8.576 8.576 8.026 0.550 25424 468 1 10 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.078 0.232 25424 469 1 10 . 1 1 11 11 ARG H H 11 8.032 8.032 9.147 -1.115 25424 470 1 10 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.621 -0.306 25424 471 1 10 . 1 1 12 12 TRP H H 12 8.676 8.676 7.762 0.914 25424 472 1 10 . 1 1 13 13 GLY H H 13 8.348 8.348 8.831 -0.483 25424 473 1 10 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.772 -0.063 25424 474 1 10 . 1 1 14 14 GLU H H 14 7.908 7.908 8.036 -0.128 25424 475 1 10 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.341 0.332 25424 476 1 10 . 1 1 15 15 ARG H H 15 9.226 9.226 8.313 0.913 25424 477 1 10 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.389 0.874 25424 478 1 10 . 1 1 16 16 HIS H H 16 9.458 9.458 8.380 1.078 25424 479 1 10 . 1 1 17 17 SER HA H 17 4.610 4.610 4.328 0.282 25424 480 1 10 . 1 1 17 17 SER H H 17 8.861 8.861 8.411 0.450 25424 481 1 10 . 1 1 18 18 GLY H H 18 7.157 7.157 7.573 -0.416 25424 482 1 10 . 1 1 19 19 LYS H H 19 8.418 8.418 7.965 0.453 25424 483 1 10 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.155 0.431 25424 484 1 10 . 1 1 23 23 GLN H H 23 8.372 8.372 8.550 -0.178 25424 485 1 10 . 1 1 25 25 GLY H H 25 8.619 8.619 7.742 0.877 25424 486 1 10 . 1 1 26 26 SER HA H 26 4.420 4.420 4.399 0.021 25424 487 1 10 . 1 1 26 26 SER H H 26 8.733 8.733 7.947 0.786 25424 488 1 10 . 1 1 27 27 THR HA H 27 3.730 3.730 4.451 -0.721 25424 489 1 10 . 1 1 27 27 THR H H 27 7.909 7.909 7.629 0.280 25424 490 1 10 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.509 0.211 25424 491 1 10 . 1 1 28 28 TYR H H 28 8.213 8.213 7.272 0.941 25424 492 1 10 . 1 1 29 29 ARG H H 29 6.694 6.694 8.705 -2.011 25424 493 1 10 . 1 1 30 30 LEU HA H 30 4.643 4.643 3.722 0.921 25424 494 1 10 . 1 1 30 30 LEU H H 30 8.720 8.720 7.724 0.996 25424 495 1 10 . 1 1 31 31 CYS HA H 31 5.482 5.482 4.822 0.660 25424 496 1 10 . 1 1 31 31 CYS H H 31 8.772 8.772 8.213 0.559 25424 497 1 10 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.784 0.692 25424 498 1 10 . 1 1 32 32 CYS H H 32 9.400 9.400 9.107 0.293 25424 499 1 10 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.680 -0.166 25424 500 1 10 . 1 1 33 33 ARG H H 33 8.718 8.718 8.319 0.399 25424 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 25424 2 1 1 "Average Difference" HA 22 0.437 -0.171 0.411 25424 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25424 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25424 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25424 6 1 1 "Average Difference" HN 28 0.738 -0.309 0.682 25424 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25424 8 1 2 "Average Difference" HA 22 0.407 -0.163 0.382 25424 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25424 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25424 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25424 12 1 2 "Average Difference" HN 28 0.696 -0.256 0.659 25424 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25424 14 1 3 "Average Difference" HA 22 0.555 -0.133 0.551 25424 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25424 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25424 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25424 18 1 3 "Average Difference" HN 28 0.676 -0.224 0.649 25424 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25424 20 1 4 "Average Difference" HA 22 0.446 -0.158 0.427 25424 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25424 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25424 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25424 24 1 4 "Average Difference" HN 28 0.724 -0.273 0.682 25424 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25424 26 1 5 "Average Difference" HA 22 0.526 -0.080 0.532 25424 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25424 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25424 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25424 30 1 5 "Average Difference" HN 28 0.687 -0.206 0.668 25424 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25424 32 1 6 "Average Difference" HA 22 0.418 -0.045 0.425 25424 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25424 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25424 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25424 36 1 6 "Average Difference" HN 28 0.729 -0.272 0.688 25424 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25424 38 1 7 "Average Difference" HA 22 0.441 -0.122 0.434 25424 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25424 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25424 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25424 42 1 7 "Average Difference" HN 28 0.738 -0.255 0.705 25424 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25424 44 1 8 "Average Difference" HA 22 0.470 -0.132 0.462 25424 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25424 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25424 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25424 48 1 8 "Average Difference" HN 28 0.788 -0.352 0.718 25424 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25424 50 1 9 "Average Difference" HA 22 0.438 -0.078 0.442 25424 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25424 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25424 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25424 54 1 9 "Average Difference" HN 28 0.756 -0.340 0.688 25424 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25424 56 1 10 "Average Difference" HA 22 0.555 -0.160 0.544 25424 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25424 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25424 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25424 60 1 10 "Average Difference" HN 28 0.856 -0.328 0.805 25424 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 25424 _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 CYS HA H 2 5.938 5.938 4.511 1.427 25424 2 1 . 1 1 2 2 CYS H H 2 9.170 9.170 8.513 0.657 25424 3 1 . 1 1 3 3 THR HA H 3 4.383 4.383 4.298 0.085 25424 4 1 . 1 1 3 3 THR H H 3 9.174 9.174 7.825 1.349 25424 5 1 . 1 1 4 4 CYS H H 4 9.317 9.317 8.678 0.639 25424 6 1 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.652 -0.027 25424 7 1 . 1 1 5 5 ARG H H 5 9.553 9.553 8.037 1.516 25424 8 1 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.591 -0.579 25424 9 1 . 1 1 6 6 ARG H H 6 8.844 8.844 8.602 0.242 25424 10 1 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.409 -0.243 25424 11 1 . 1 1 7 7 ALA H H 7 7.571 7.571 8.222 -0.651 25424 12 1 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.584 0.013 25424 13 1 . 1 1 8 8 TRP H H 8 8.607 8.607 8.368 0.239 25424 14 1 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.378 -0.007 25424 15 1 . 1 1 9 9 ILE H H 9 7.162 7.162 7.464 -0.301 25424 16 1 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.610 0.174 25424 17 1 . 1 1 10 10 CYS H H 10 8.576 8.576 8.111 0.465 25424 18 1 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.112 0.198 25424 19 1 . 1 1 11 11 ARG H H 11 8.032 8.032 8.703 -0.671 25424 20 1 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.716 -0.401 25424 21 1 . 1 1 12 12 TRP H H 12 8.676 8.676 7.825 0.851 25424 22 1 . 1 1 13 13 GLY H H 13 8.348 8.348 8.626 -0.278 25424 23 1 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.603 0.106 25424 24 1 . 1 1 14 14 GLU H H 14 7.908 7.908 7.988 -0.080 25424 25 1 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.629 0.044 25424 26 1 . 1 1 15 15 ARG H H 15 9.226 9.226 8.616 0.610 25424 27 1 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.808 0.455 25424 28 1 . 1 1 16 16 HIS H H 16 9.458 9.458 8.658 0.799 25424 29 1 . 1 1 17 17 SER HA H 17 4.610 4.610 4.303 0.307 25424 30 1 . 1 1 17 17 SER H H 17 8.861 8.861 8.497 0.364 25424 31 1 . 1 1 18 18 GLY H H 18 7.157 7.157 7.265 -0.108 25424 32 1 . 1 1 19 19 LYS H H 19 8.418 8.418 8.203 0.215 25424 33 1 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.249 0.337 25424 34 1 . 1 1 23 23 GLN H H 23 8.372 8.372 8.355 0.017 25424 35 1 . 1 1 25 25 GLY H H 25 8.619 8.619 7.998 0.621 25424 36 1 . 1 1 26 26 SER HA H 26 4.420 4.420 4.374 0.046 25424 37 1 . 1 1 26 26 SER H H 26 8.733 8.733 8.046 0.687 25424 38 1 . 1 1 27 27 THR HA H 27 3.730 3.730 4.369 -0.639 25424 39 1 . 1 1 27 27 THR H H 27 7.909 7.909 7.830 0.079 25424 40 1 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.486 0.234 25424 41 1 . 1 1 28 28 TYR H H 28 8.213 8.213 7.610 0.603 25424 42 1 . 1 1 29 29 ARG H H 29 6.694 6.694 8.384 -1.690 25424 43 1 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.328 0.315 25424 44 1 . 1 1 30 30 LEU H H 30 8.720 8.720 8.143 0.577 25424 45 1 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.141 0.341 25424 46 1 . 1 1 31 31 CYS H H 31 8.772 8.772 8.155 0.617 25424 47 1 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.880 0.596 25424 48 1 . 1 1 32 32 CYS H H 32 9.400 9.400 8.979 0.421 25424 49 1 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.566 -0.052 25424 50 1 . 1 1 33 33 ARG H H 33 8.718 8.718 8.622 0.096 25424 stop_ save_