data_17969 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17969 _Entry.PDB_ID 2LK0 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 17969 _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 3 3 PHE HA H 2 4.558 4.558 4.465 0.093 17969 2 1 1 . 1 1 3 3 PHE H H 2 8.336 8.336 9.025 -0.689 17969 3 1 1 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.022 0.260 17969 4 1 1 . 1 1 4 4 GLU H H 3 8.032 8.032 8.188 -0.156 17969 5 1 1 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.331 -0.899 17969 6 1 1 . 1 1 5 5 ASP H H 4 8.089 8.089 7.946 0.143 17969 7 1 1 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.045 -0.180 17969 8 1 1 . 1 1 6 6 TRP H H 5 8.350 8.350 8.504 -0.154 17969 9 1 1 . 1 1 7 7 LEU HA H 6 4.381 4.381 5.196 -0.815 17969 10 1 1 . 1 1 7 7 LEU H H 6 8.634 8.634 8.531 0.103 17969 11 1 1 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.866 -0.379 17969 12 1 1 . 1 1 8 8 CYS H H 7 8.442 8.442 9.047 -0.605 17969 13 1 1 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.741 -0.366 17969 14 1 1 . 1 1 9 9 ASN H H 8 8.949 8.949 9.032 -0.083 17969 15 1 1 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.481 -0.240 17969 16 1 1 . 1 1 10 10 LYS H H 9 9.070 9.070 8.047 1.023 17969 17 1 1 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.839 -0.769 17969 18 1 1 . 1 1 11 11 CYS H H 10 8.811 8.811 8.598 0.213 17969 19 1 1 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.191 -0.216 17969 20 1 1 . 1 1 12 12 CYS H H 11 7.612 7.612 7.946 -0.334 17969 21 1 1 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.398 -0.420 17969 22 1 1 . 1 1 13 13 LEU H H 12 7.611 7.611 7.441 0.170 17969 23 1 1 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.889 -0.351 17969 24 1 1 . 1 1 14 14 ASN H H 13 8.373 8.373 8.569 -0.196 17969 25 1 1 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.725 -0.530 17969 26 1 1 . 1 1 15 15 ASN H H 14 9.053 9.053 8.283 0.770 17969 27 1 1 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.699 -0.366 17969 28 1 1 . 1 1 16 16 PHE H H 15 7.646 7.646 8.854 -1.208 17969 29 1 1 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.395 -0.419 17969 30 1 1 . 1 1 17 17 ARG H H 16 8.165 8.165 8.491 -0.326 17969 31 1 1 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.283 -0.275 17969 32 1 1 . 1 1 18 18 LYS H H 17 5.940 5.940 8.405 -2.465 17969 33 1 1 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.251 -0.075 17969 34 1 1 . 1 1 19 19 ARG H H 18 8.261 8.261 7.735 0.526 17969 35 1 1 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.731 -0.592 17969 36 1 1 . 1 1 20 20 LEU H H 19 8.696 8.696 8.373 0.323 17969 37 1 1 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.519 0.441 17969 38 1 1 . 1 1 21 21 LYS H H 20 7.487 7.487 7.675 -0.188 17969 39 1 1 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.986 -1.053 17969 40 1 1 . 1 1 22 22 CYS H H 21 9.615 9.615 9.028 0.587 17969 41 1 1 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.529 -0.518 17969 42 1 1 . 1 1 23 23 PHE H H 22 9.007 9.007 8.981 0.026 17969 43 1 1 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.261 -0.190 17969 44 1 1 . 1 1 24 24 ARG H H 23 8.787 8.787 8.080 0.707 17969 45 1 1 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.894 -0.149 17969 46 1 1 . 1 1 25 25 CYS H H 24 8.257 8.257 8.342 -0.085 17969 47 1 1 . 1 1 26 26 GLY H H 25 7.512 7.512 8.258 -0.746 17969 48 1 1 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.342 -0.251 17969 49 1 1 . 1 1 27 27 ALA H H 26 8.702 8.702 7.329 1.373 17969 50 1 1 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.725 -0.324 17969 51 1 1 . 1 1 28 28 ASP H H 27 8.457 8.457 8.664 -0.207 17969 52 1 1 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.963 -1.482 17969 53 1 1 . 1 1 29 29 LYS H H 28 7.308 7.308 8.529 -1.221 17969 54 1 1 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.581 -0.283 17969 55 1 1 . 1 1 30 30 PHE H H 29 7.708 7.708 7.978 -0.270 17969 56 1 2 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.452 0.106 17969 57 1 2 . 1 1 3 3 PHE H H 2 8.336 8.336 9.137 -0.801 17969 58 1 2 . 1 1 4 4 GLU HA H 3 4.282 4.282 3.941 0.341 17969 59 1 2 . 1 1 4 4 GLU H H 3 8.032 8.032 7.973 0.059 17969 60 1 2 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.358 -0.926 17969 61 1 2 . 1 1 5 5 ASP H H 4 8.089 8.089 7.977 0.112 17969 62 1 2 . 1 1 6 6 TRP HA H 5 4.865 4.865 4.995 -0.130 17969 63 1 2 . 1 1 6 6 TRP H H 5 8.350 8.350 8.439 -0.089 17969 64 1 2 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.639 -0.258 17969 65 1 2 . 1 1 7 7 LEU H H 6 8.634 8.634 8.566 0.068 17969 66 1 2 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.774 -0.287 17969 67 1 2 . 1 1 8 8 CYS H H 7 8.442 8.442 8.457 -0.015 17969 68 1 2 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.799 -0.424 17969 69 1 2 . 1 1 9 9 ASN H H 8 8.949 8.949 9.071 -0.122 17969 70 1 2 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.415 -0.174 17969 71 1 2 . 1 1 10 10 LYS H H 9 9.070 9.070 8.064 1.006 17969 72 1 2 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.933 -0.863 17969 73 1 2 . 1 1 11 11 CYS H H 10 8.811 8.811 8.299 0.512 17969 74 1 2 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.201 -0.226 17969 75 1 2 . 1 1 12 12 CYS H H 11 7.612 7.612 7.973 -0.361 17969 76 1 2 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.462 -0.484 17969 77 1 2 . 1 1 13 13 LEU H H 12 7.611 7.611 7.386 0.225 17969 78 1 2 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.779 -0.241 17969 79 1 2 . 1 1 14 14 ASN H H 13 8.373 8.373 8.654 -0.281 17969 80 1 2 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.802 -0.607 17969 81 1 2 . 1 1 15 15 ASN H H 14 9.053 9.053 8.360 0.693 17969 82 1 2 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.566 -0.233 17969 83 1 2 . 1 1 16 16 PHE H H 15 7.646 7.646 8.936 -1.290 17969 84 1 2 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.511 -0.535 17969 85 1 2 . 1 1 17 17 ARG H H 16 8.165 8.165 8.405 -0.240 17969 86 1 2 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.264 -0.256 17969 87 1 2 . 1 1 18 18 LYS H H 17 5.940 5.940 8.455 -2.515 17969 88 1 2 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.413 -0.237 17969 89 1 2 . 1 1 19 19 ARG H H 18 8.261 8.261 7.943 0.318 17969 90 1 2 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.271 -0.132 17969 91 1 2 . 1 1 20 20 LEU H H 19 8.696 8.696 8.939 -0.243 17969 92 1 2 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.456 0.504 17969 93 1 2 . 1 1 21 21 LYS H H 20 7.487 7.487 7.367 0.120 17969 94 1 2 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.780 -0.847 17969 95 1 2 . 1 1 22 22 CYS H H 21 9.615 9.615 8.856 0.759 17969 96 1 2 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.640 -0.629 17969 97 1 2 . 1 1 23 23 PHE H H 22 9.007 9.007 8.833 0.174 17969 98 1 2 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.543 -0.472 17969 99 1 2 . 1 1 24 24 ARG H H 23 8.787 8.787 7.962 0.825 17969 100 1 2 . 1 1 25 25 CYS HA H 24 4.745 4.745 5.070 -0.325 17969 101 1 2 . 1 1 25 25 CYS H H 24 8.257 8.257 8.079 0.178 17969 102 1 2 . 1 1 26 26 GLY H H 25 7.512 7.512 8.068 -0.556 17969 103 1 2 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.223 -0.132 17969 104 1 2 . 1 1 27 27 ALA H H 26 8.702 8.702 7.580 1.122 17969 105 1 2 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.706 -0.305 17969 106 1 2 . 1 1 28 28 ASP H H 27 8.457 8.457 8.609 -0.152 17969 107 1 2 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.814 -1.333 17969 108 1 2 . 1 1 29 29 LYS H H 28 7.308 7.308 8.568 -1.260 17969 109 1 2 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.494 -0.196 17969 110 1 2 . 1 1 30 30 PHE H H 29 7.708 7.708 8.003 -0.295 17969 111 1 3 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.630 -0.072 17969 112 1 3 . 1 1 3 3 PHE H H 2 8.336 8.336 8.664 -0.328 17969 113 1 3 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.355 -0.073 17969 114 1 3 . 1 1 4 4 GLU H H 3 8.032 8.032 7.560 0.472 17969 115 1 3 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.271 -0.839 17969 116 1 3 . 1 1 5 5 ASP H H 4 8.089 8.089 7.854 0.235 17969 117 1 3 . 1 1 6 6 TRP HA H 5 4.865 4.865 4.960 -0.095 17969 118 1 3 . 1 1 6 6 TRP H H 5 8.350 8.350 8.483 -0.133 17969 119 1 3 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.789 -0.408 17969 120 1 3 . 1 1 7 7 LEU H H 6 8.634 8.634 8.572 0.062 17969 121 1 3 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.811 -0.324 17969 122 1 3 . 1 1 8 8 CYS H H 7 8.442 8.442 8.585 -0.143 17969 123 1 3 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.804 -0.429 17969 124 1 3 . 1 1 9 9 ASN H H 8 8.949 8.949 9.047 -0.098 17969 125 1 3 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.471 -0.230 17969 126 1 3 . 1 1 10 10 LYS H H 9 9.070 9.070 8.028 1.042 17969 127 1 3 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.904 -0.834 17969 128 1 3 . 1 1 11 11 CYS H H 10 8.811 8.811 8.479 0.332 17969 129 1 3 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.225 -0.250 17969 130 1 3 . 1 1 12 12 CYS H H 11 7.612 7.612 8.042 -0.430 17969 131 1 3 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.495 -0.517 17969 132 1 3 . 1 1 13 13 LEU H H 12 7.611 7.611 7.359 0.252 17969 133 1 3 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.768 -0.230 17969 134 1 3 . 1 1 14 14 ASN H H 13 8.373 8.373 8.614 -0.241 17969 135 1 3 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.725 -0.530 17969 136 1 3 . 1 1 15 15 ASN H H 14 9.053 9.053 8.256 0.797 17969 137 1 3 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.491 -0.158 17969 138 1 3 . 1 1 16 16 PHE H H 15 7.646 7.646 8.684 -1.038 17969 139 1 3 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.464 -0.488 17969 140 1 3 . 1 1 17 17 ARG H H 16 8.165 8.165 8.488 -0.323 17969 141 1 3 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.361 -0.353 17969 142 1 3 . 1 1 18 18 LYS H H 17 5.940 5.940 8.448 -2.508 17969 143 1 3 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.369 -0.193 17969 144 1 3 . 1 1 19 19 ARG H H 18 8.261 8.261 8.167 0.094 17969 145 1 3 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.114 0.025 17969 146 1 3 . 1 1 20 20 LEU H H 19 8.696 8.696 8.711 -0.015 17969 147 1 3 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.588 0.372 17969 148 1 3 . 1 1 21 21 LYS H H 20 7.487 7.487 7.603 -0.116 17969 149 1 3 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.567 -0.634 17969 150 1 3 . 1 1 22 22 CYS H H 21 9.615 9.615 8.867 0.748 17969 151 1 3 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.563 -0.552 17969 152 1 3 . 1 1 23 23 PHE H H 22 9.007 9.007 9.478 -0.471 17969 153 1 3 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.448 -0.377 17969 154 1 3 . 1 1 24 24 ARG H H 23 8.787 8.787 7.929 0.858 17969 155 1 3 . 1 1 25 25 CYS HA H 24 4.745 4.745 5.013 -0.268 17969 156 1 3 . 1 1 25 25 CYS H H 24 8.257 8.257 8.007 0.250 17969 157 1 3 . 1 1 26 26 GLY H H 25 7.512 7.512 8.082 -0.570 17969 158 1 3 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.181 -0.090 17969 159 1 3 . 1 1 27 27 ALA H H 26 8.702 8.702 7.648 1.054 17969 160 1 3 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.613 -0.212 17969 161 1 3 . 1 1 28 28 ASP H H 27 8.457 8.457 8.521 -0.064 17969 162 1 3 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.872 -1.391 17969 163 1 3 . 1 1 29 29 LYS H H 28 7.308 7.308 8.591 -1.283 17969 164 1 3 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.603 -0.305 17969 165 1 3 . 1 1 30 30 PHE H H 29 7.708 7.708 7.814 -0.106 17969 166 1 4 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.413 0.145 17969 167 1 4 . 1 1 3 3 PHE H H 2 8.336 8.336 8.661 -0.325 17969 168 1 4 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.005 0.277 17969 169 1 4 . 1 1 4 4 GLU H H 3 8.032 8.032 8.155 -0.123 17969 170 1 4 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.408 -0.976 17969 171 1 4 . 1 1 5 5 ASP H H 4 8.089 8.089 7.994 0.095 17969 172 1 4 . 1 1 6 6 TRP HA H 5 4.865 4.865 4.992 -0.127 17969 173 1 4 . 1 1 6 6 TRP H H 5 8.350 8.350 8.462 -0.112 17969 174 1 4 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.572 -0.191 17969 175 1 4 . 1 1 7 7 LEU H H 6 8.634 8.634 8.561 0.073 17969 176 1 4 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.820 -0.333 17969 177 1 4 . 1 1 8 8 CYS H H 7 8.442 8.442 8.700 -0.258 17969 178 1 4 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.787 -0.412 17969 179 1 4 . 1 1 9 9 ASN H H 8 8.949 8.949 9.042 -0.093 17969 180 1 4 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.510 -0.269 17969 181 1 4 . 1 1 10 10 LYS H H 9 9.070 9.070 8.133 0.937 17969 182 1 4 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.720 -0.650 17969 183 1 4 . 1 1 11 11 CYS H H 10 8.811 8.811 8.509 0.302 17969 184 1 4 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.201 -0.226 17969 185 1 4 . 1 1 12 12 CYS H H 11 7.612 7.612 8.110 -0.498 17969 186 1 4 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.550 -0.572 17969 187 1 4 . 1 1 13 13 LEU H H 12 7.611 7.611 7.380 0.231 17969 188 1 4 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.892 -0.354 17969 189 1 4 . 1 1 14 14 ASN H H 13 8.373 8.373 8.658 -0.285 17969 190 1 4 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.771 -0.576 17969 191 1 4 . 1 1 15 15 ASN H H 14 9.053 9.053 8.260 0.793 17969 192 1 4 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.542 -0.209 17969 193 1 4 . 1 1 16 16 PHE H H 15 7.646 7.646 8.844 -1.198 17969 194 1 4 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.432 -0.456 17969 195 1 4 . 1 1 17 17 ARG H H 16 8.165 8.165 8.543 -0.378 17969 196 1 4 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.291 -0.283 17969 197 1 4 . 1 1 18 18 LYS H H 17 5.940 5.940 8.430 -2.490 17969 198 1 4 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.344 -0.168 17969 199 1 4 . 1 1 19 19 ARG H H 18 8.261 8.261 7.970 0.291 17969 200 1 4 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.137 0.002 17969 201 1 4 . 1 1 20 20 LEU H H 19 8.696 8.696 8.162 0.534 17969 202 1 4 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.608 0.352 17969 203 1 4 . 1 1 21 21 LYS H H 20 7.487 7.487 7.575 -0.088 17969 204 1 4 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.888 -0.955 17969 205 1 4 . 1 1 22 22 CYS H H 21 9.615 9.615 8.648 0.967 17969 206 1 4 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.661 -0.650 17969 207 1 4 . 1 1 23 23 PHE H H 22 9.007 9.007 9.382 -0.375 17969 208 1 4 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.440 -0.369 17969 209 1 4 . 1 1 24 24 ARG H H 23 8.787 8.787 7.978 0.809 17969 210 1 4 . 1 1 25 25 CYS HA H 24 4.745 4.745 5.006 -0.261 17969 211 1 4 . 1 1 25 25 CYS H H 24 8.257 8.257 8.093 0.164 17969 212 1 4 . 1 1 26 26 GLY H H 25 7.512 7.512 8.067 -0.555 17969 213 1 4 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.511 -0.420 17969 214 1 4 . 1 1 27 27 ALA H H 26 8.702 8.702 7.341 1.361 17969 215 1 4 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.539 -0.138 17969 216 1 4 . 1 1 28 28 ASP H H 27 8.457 8.457 8.574 -0.117 17969 217 1 4 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.935 -1.454 17969 218 1 4 . 1 1 29 29 LYS H H 28 7.308 7.308 8.679 -1.371 17969 219 1 4 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.557 -0.259 17969 220 1 4 . 1 1 30 30 PHE H H 29 7.708 7.708 7.912 -0.204 17969 221 1 5 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.826 -0.268 17969 222 1 5 . 1 1 3 3 PHE H H 2 8.336 8.336 8.063 0.273 17969 223 1 5 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.341 -0.059 17969 224 1 5 . 1 1 4 4 GLU H H 3 8.032 8.032 7.515 0.517 17969 225 1 5 . 1 1 5 5 ASP HA H 4 4.432 4.432 4.433 -0.001 17969 226 1 5 . 1 1 5 5 ASP H H 4 8.089 8.089 7.665 0.424 17969 227 1 5 . 1 1 6 6 TRP HA H 5 4.865 4.865 4.993 -0.128 17969 228 1 5 . 1 1 6 6 TRP H H 5 8.350 8.350 8.077 0.273 17969 229 1 5 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.727 -0.346 17969 230 1 5 . 1 1 7 7 LEU H H 6 8.634 8.634 8.619 0.015 17969 231 1 5 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.611 -0.124 17969 232 1 5 . 1 1 8 8 CYS H H 7 8.442 8.442 8.560 -0.118 17969 233 1 5 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.774 -0.399 17969 234 1 5 . 1 1 9 9 ASN H H 8 8.949 8.949 8.974 -0.025 17969 235 1 5 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.505 -0.264 17969 236 1 5 . 1 1 10 10 LYS H H 9 9.070 9.070 8.099 0.971 17969 237 1 5 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.863 -0.793 17969 238 1 5 . 1 1 11 11 CYS H H 10 8.811 8.811 8.605 0.206 17969 239 1 5 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.274 -0.299 17969 240 1 5 . 1 1 12 12 CYS H H 11 7.612 7.612 8.047 -0.435 17969 241 1 5 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.368 -0.390 17969 242 1 5 . 1 1 13 13 LEU H H 12 7.611 7.611 7.446 0.165 17969 243 1 5 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.675 -0.137 17969 244 1 5 . 1 1 14 14 ASN H H 13 8.373 8.373 8.662 -0.289 17969 245 1 5 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.730 -0.535 17969 246 1 5 . 1 1 15 15 ASN H H 14 9.053 9.053 8.321 0.732 17969 247 1 5 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.284 0.049 17969 248 1 5 . 1 1 16 16 PHE H H 15 7.646 7.646 8.879 -1.233 17969 249 1 5 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.323 -0.347 17969 250 1 5 . 1 1 17 17 ARG H H 16 8.165 8.165 8.467 -0.302 17969 251 1 5 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.185 -0.177 17969 252 1 5 . 1 1 18 18 LYS H H 17 5.940 5.940 8.279 -2.339 17969 253 1 5 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.381 -0.205 17969 254 1 5 . 1 1 19 19 ARG H H 18 8.261 8.261 7.784 0.477 17969 255 1 5 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.736 -0.597 17969 256 1 5 . 1 1 20 20 LEU H H 19 8.696 8.696 8.607 0.089 17969 257 1 5 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.567 0.393 17969 258 1 5 . 1 1 21 21 LYS H H 20 7.487 7.487 7.696 -0.209 17969 259 1 5 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.801 -0.868 17969 260 1 5 . 1 1 22 22 CYS H H 21 9.615 9.615 8.986 0.629 17969 261 1 5 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.463 -0.452 17969 262 1 5 . 1 1 23 23 PHE H H 22 9.007 9.007 9.154 -0.147 17969 263 1 5 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.243 -0.172 17969 264 1 5 . 1 1 24 24 ARG H H 23 8.787 8.787 8.264 0.523 17969 265 1 5 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.884 -0.139 17969 266 1 5 . 1 1 25 25 CYS H H 24 8.257 8.257 8.276 -0.019 17969 267 1 5 . 1 1 26 26 GLY H H 25 7.512 7.512 8.389 -0.877 17969 268 1 5 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.445 -0.354 17969 269 1 5 . 1 1 27 27 ALA H H 26 8.702 8.702 7.335 1.367 17969 270 1 5 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.554 -0.153 17969 271 1 5 . 1 1 28 28 ASP H H 27 8.457 8.457 8.631 -0.174 17969 272 1 5 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.854 -1.373 17969 273 1 5 . 1 1 29 29 LYS H H 28 7.308 7.308 8.156 -0.848 17969 274 1 5 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.625 -0.327 17969 275 1 5 . 1 1 30 30 PHE H H 29 7.708 7.708 7.662 0.046 17969 276 1 6 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.526 0.032 17969 277 1 6 . 1 1 3 3 PHE H H 2 8.336 8.336 8.345 -0.009 17969 278 1 6 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.473 -0.191 17969 279 1 6 . 1 1 4 4 GLU H H 3 8.032 8.032 7.728 0.304 17969 280 1 6 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.288 -0.856 17969 281 1 6 . 1 1 5 5 ASP H H 4 8.089 8.089 7.949 0.140 17969 282 1 6 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.058 -0.193 17969 283 1 6 . 1 1 6 6 TRP H H 5 8.350 8.350 8.852 -0.502 17969 284 1 6 . 1 1 7 7 LEU HA H 6 4.381 4.381 5.046 -0.665 17969 285 1 6 . 1 1 7 7 LEU H H 6 8.634 8.634 8.182 0.452 17969 286 1 6 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.916 -0.429 17969 287 1 6 . 1 1 8 8 CYS H H 7 8.442 8.442 8.560 -0.118 17969 288 1 6 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.808 -0.433 17969 289 1 6 . 1 1 9 9 ASN H H 8 8.949 8.949 9.083 -0.134 17969 290 1 6 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.540 -0.299 17969 291 1 6 . 1 1 10 10 LYS H H 9 9.070 9.070 7.984 1.086 17969 292 1 6 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.994 -0.924 17969 293 1 6 . 1 1 11 11 CYS H H 10 8.811 8.811 8.432 0.379 17969 294 1 6 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.126 -0.151 17969 295 1 6 . 1 1 12 12 CYS H H 11 7.612 7.612 8.065 -0.453 17969 296 1 6 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.455 -0.476 17969 297 1 6 . 1 1 13 13 LEU H H 12 7.611 7.611 7.367 0.244 17969 298 1 6 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.804 -0.266 17969 299 1 6 . 1 1 14 14 ASN H H 13 8.373 8.373 8.556 -0.183 17969 300 1 6 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.732 -0.537 17969 301 1 6 . 1 1 15 15 ASN H H 14 9.053 9.053 8.287 0.766 17969 302 1 6 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.440 -0.107 17969 303 1 6 . 1 1 16 16 PHE H H 15 7.646 7.646 8.882 -1.236 17969 304 1 6 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.417 -0.441 17969 305 1 6 . 1 1 17 17 ARG H H 16 8.165 8.165 8.201 -0.036 17969 306 1 6 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.313 -0.305 17969 307 1 6 . 1 1 18 18 LYS H H 17 5.940 5.940 8.487 -2.547 17969 308 1 6 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.442 -0.266 17969 309 1 6 . 1 1 19 19 ARG H H 18 8.261 8.261 7.682 0.579 17969 310 1 6 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.524 -0.385 17969 311 1 6 . 1 1 20 20 LEU H H 19 8.696 8.696 8.668 0.028 17969 312 1 6 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.532 0.428 17969 313 1 6 . 1 1 21 21 LYS H H 20 7.487 7.487 7.606 -0.119 17969 314 1 6 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.740 -0.807 17969 315 1 6 . 1 1 22 22 CYS H H 21 9.615 9.615 9.104 0.511 17969 316 1 6 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.602 -0.591 17969 317 1 6 . 1 1 23 23 PHE H H 22 9.007 9.007 9.021 -0.014 17969 318 1 6 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.424 -0.353 17969 319 1 6 . 1 1 24 24 ARG H H 23 8.787 8.787 7.748 1.039 17969 320 1 6 . 1 1 25 25 CYS HA H 24 4.745 4.745 5.040 -0.295 17969 321 1 6 . 1 1 25 25 CYS H H 24 8.257 8.257 8.192 0.065 17969 322 1 6 . 1 1 26 26 GLY H H 25 7.512 7.512 8.100 -0.588 17969 323 1 6 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.192 -0.101 17969 324 1 6 . 1 1 27 27 ALA H H 26 8.702 8.702 7.551 1.151 17969 325 1 6 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.603 -0.202 17969 326 1 6 . 1 1 28 28 ASP H H 27 8.457 8.457 8.723 -0.266 17969 327 1 6 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.760 -1.279 17969 328 1 6 . 1 1 29 29 LYS H H 28 7.308 7.308 8.138 -0.830 17969 329 1 6 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.591 -0.293 17969 330 1 6 . 1 1 30 30 PHE H H 29 7.708 7.708 7.829 -0.121 17969 331 1 7 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.476 0.082 17969 332 1 7 . 1 1 3 3 PHE H H 2 8.336 8.336 8.813 -0.477 17969 333 1 7 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.000 0.282 17969 334 1 7 . 1 1 4 4 GLU H H 3 8.032 8.032 8.068 -0.036 17969 335 1 7 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.505 -1.073 17969 336 1 7 . 1 1 5 5 ASP H H 4 8.089 8.089 7.992 0.097 17969 337 1 7 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.108 -0.243 17969 338 1 7 . 1 1 6 6 TRP H H 5 8.350 8.350 8.624 -0.274 17969 339 1 7 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.736 -0.355 17969 340 1 7 . 1 1 7 7 LEU H H 6 8.634 8.634 8.447 0.187 17969 341 1 7 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.601 -0.114 17969 342 1 7 . 1 1 8 8 CYS H H 7 8.442 8.442 8.582 -0.140 17969 343 1 7 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.722 -0.347 17969 344 1 7 . 1 1 9 9 ASN H H 8 8.949 8.949 8.836 0.113 17969 345 1 7 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.515 -0.274 17969 346 1 7 . 1 1 10 10 LYS H H 9 9.070 9.070 8.121 0.949 17969 347 1 7 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.845 -0.775 17969 348 1 7 . 1 1 11 11 CYS H H 10 8.811 8.811 8.556 0.255 17969 349 1 7 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.240 -0.265 17969 350 1 7 . 1 1 12 12 CYS H H 11 7.612 7.612 8.016 -0.404 17969 351 1 7 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.337 -0.359 17969 352 1 7 . 1 1 13 13 LEU H H 12 7.611 7.611 7.338 0.273 17969 353 1 7 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.699 -0.161 17969 354 1 7 . 1 1 14 14 ASN H H 13 8.373 8.373 8.556 -0.183 17969 355 1 7 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.661 -0.466 17969 356 1 7 . 1 1 15 15 ASN H H 14 9.053 9.053 8.156 0.897 17969 357 1 7 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.628 -0.295 17969 358 1 7 . 1 1 16 16 PHE H H 15 7.646 7.646 8.828 -1.182 17969 359 1 7 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.405 -0.429 17969 360 1 7 . 1 1 17 17 ARG H H 16 8.165 8.165 8.783 -0.618 17969 361 1 7 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.197 -0.189 17969 362 1 7 . 1 1 18 18 LYS H H 17 5.940 5.940 8.308 -2.368 17969 363 1 7 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.469 -0.293 17969 364 1 7 . 1 1 19 19 ARG H H 18 8.261 8.261 8.177 0.084 17969 365 1 7 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.342 -0.203 17969 366 1 7 . 1 1 20 20 LEU H H 19 8.696 8.696 8.903 -0.207 17969 367 1 7 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.474 0.486 17969 368 1 7 . 1 1 21 21 LYS H H 20 7.487 7.487 7.528 -0.041 17969 369 1 7 . 1 1 22 22 CYS HA H 21 3.933 3.933 5.214 -1.281 17969 370 1 7 . 1 1 22 22 CYS H H 21 9.615 9.615 8.923 0.692 17969 371 1 7 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.554 -0.543 17969 372 1 7 . 1 1 23 23 PHE H H 22 9.007 9.007 9.009 -0.002 17969 373 1 7 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.186 -0.115 17969 374 1 7 . 1 1 24 24 ARG H H 23 8.787 8.787 8.147 0.640 17969 375 1 7 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.898 -0.153 17969 376 1 7 . 1 1 25 25 CYS H H 24 8.257 8.257 8.323 -0.066 17969 377 1 7 . 1 1 26 26 GLY H H 25 7.512 7.512 8.233 -0.721 17969 378 1 7 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.432 -0.341 17969 379 1 7 . 1 1 27 27 ALA H H 26 8.702 8.702 7.365 1.337 17969 380 1 7 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.557 -0.156 17969 381 1 7 . 1 1 28 28 ASP H H 27 8.457 8.457 8.733 -0.276 17969 382 1 7 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.735 -1.254 17969 383 1 7 . 1 1 29 29 LYS H H 28 7.308 7.308 8.466 -1.158 17969 384 1 7 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.548 -0.250 17969 385 1 7 . 1 1 30 30 PHE H H 29 7.708 7.708 7.796 -0.088 17969 386 1 8 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.573 -0.015 17969 387 1 8 . 1 1 3 3 PHE H H 2 8.336 8.336 8.112 0.224 17969 388 1 8 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.448 -0.166 17969 389 1 8 . 1 1 4 4 GLU H H 3 8.032 8.032 7.684 0.348 17969 390 1 8 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.270 -0.838 17969 391 1 8 . 1 1 5 5 ASP H H 4 8.089 8.089 7.901 0.188 17969 392 1 8 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.063 -0.198 17969 393 1 8 . 1 1 6 6 TRP H H 5 8.350 8.350 8.522 -0.172 17969 394 1 8 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.693 -0.312 17969 395 1 8 . 1 1 7 7 LEU H H 6 8.634 8.634 8.571 0.063 17969 396 1 8 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.671 -0.184 17969 397 1 8 . 1 1 8 8 CYS H H 7 8.442 8.442 8.299 0.143 17969 398 1 8 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.639 -0.264 17969 399 1 8 . 1 1 9 9 ASN H H 8 8.949 8.949 8.820 0.129 17969 400 1 8 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.430 -0.189 17969 401 1 8 . 1 1 10 10 LYS H H 9 9.070 9.070 8.084 0.986 17969 402 1 8 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.997 -0.927 17969 403 1 8 . 1 1 11 11 CYS H H 10 8.811 8.811 8.144 0.667 17969 404 1 8 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.197 -0.222 17969 405 1 8 . 1 1 12 12 CYS H H 11 7.612 7.612 7.976 -0.364 17969 406 1 8 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.380 -0.402 17969 407 1 8 . 1 1 13 13 LEU H H 12 7.611 7.611 7.379 0.232 17969 408 1 8 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.620 -0.082 17969 409 1 8 . 1 1 14 14 ASN H H 13 8.373 8.373 8.671 -0.298 17969 410 1 8 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.761 -0.566 17969 411 1 8 . 1 1 15 15 ASN H H 14 9.053 9.053 8.240 0.813 17969 412 1 8 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.389 -0.056 17969 413 1 8 . 1 1 16 16 PHE H H 15 7.646 7.646 8.710 -1.064 17969 414 1 8 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.556 -0.580 17969 415 1 8 . 1 1 17 17 ARG H H 16 8.165 8.165 8.447 -0.282 17969 416 1 8 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.387 -0.379 17969 417 1 8 . 1 1 18 18 LYS H H 17 5.940 5.940 8.739 -2.799 17969 418 1 8 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.264 -0.088 17969 419 1 8 . 1 1 19 19 ARG H H 18 8.261 8.261 8.260 0.001 17969 420 1 8 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.091 0.048 17969 421 1 8 . 1 1 20 20 LEU H H 19 8.696 8.696 8.480 0.216 17969 422 1 8 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.553 0.407 17969 423 1 8 . 1 1 21 21 LYS H H 20 7.487 7.487 7.579 -0.092 17969 424 1 8 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.630 -0.697 17969 425 1 8 . 1 1 22 22 CYS H H 21 9.615 9.615 8.818 0.797 17969 426 1 8 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.462 -0.451 17969 427 1 8 . 1 1 23 23 PHE H H 22 9.007 9.007 8.704 0.303 17969 428 1 8 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.143 -0.072 17969 429 1 8 . 1 1 24 24 ARG H H 23 8.787 8.787 8.162 0.625 17969 430 1 8 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.820 -0.075 17969 431 1 8 . 1 1 25 25 CYS H H 24 8.257 8.257 8.039 0.218 17969 432 1 8 . 1 1 26 26 GLY H H 25 7.512 7.512 8.238 -0.726 17969 433 1 8 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.493 -0.402 17969 434 1 8 . 1 1 27 27 ALA H H 26 8.702 8.702 7.243 1.459 17969 435 1 8 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.523 -0.122 17969 436 1 8 . 1 1 28 28 ASP H H 27 8.457 8.457 8.758 -0.300 17969 437 1 8 . 1 1 29 29 LYS HA H 28 2.481 2.481 4.026 -1.545 17969 438 1 8 . 1 1 29 29 LYS H H 28 7.308 7.308 8.541 -1.233 17969 439 1 8 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.591 -0.293 17969 440 1 8 . 1 1 30 30 PHE H H 29 7.708 7.708 7.883 -0.175 17969 441 1 9 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.577 -0.019 17969 442 1 9 . 1 1 3 3 PHE H H 2 8.336 8.336 8.766 -0.430 17969 443 1 9 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.344 -0.062 17969 444 1 9 . 1 1 4 4 GLU H H 3 8.032 8.032 7.542 0.490 17969 445 1 9 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.312 -0.880 17969 446 1 9 . 1 1 5 5 ASP H H 4 8.089 8.089 7.894 0.195 17969 447 1 9 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.106 -0.241 17969 448 1 9 . 1 1 6 6 TRP H H 5 8.350 8.350 8.318 0.032 17969 449 1 9 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.640 -0.259 17969 450 1 9 . 1 1 7 7 LEU H H 6 8.634 8.634 8.610 0.024 17969 451 1 9 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.602 -0.115 17969 452 1 9 . 1 1 8 8 CYS H H 7 8.442 8.442 8.487 -0.045 17969 453 1 9 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.695 -0.320 17969 454 1 9 . 1 1 9 9 ASN H H 8 8.949 8.949 8.626 0.323 17969 455 1 9 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.490 -0.249 17969 456 1 9 . 1 1 10 10 LYS H H 9 9.070 9.070 8.087 0.983 17969 457 1 9 . 1 1 11 11 CYS HA H 10 4.070 4.070 5.001 -0.931 17969 458 1 9 . 1 1 11 11 CYS H H 10 8.811 8.811 8.499 0.312 17969 459 1 9 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.182 -0.207 17969 460 1 9 . 1 1 12 12 CYS H H 11 7.612 7.612 8.066 -0.454 17969 461 1 9 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.410 -0.432 17969 462 1 9 . 1 1 13 13 LEU H H 12 7.611 7.611 7.301 0.310 17969 463 1 9 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.663 -0.125 17969 464 1 9 . 1 1 14 14 ASN H H 13 8.373 8.373 8.708 -0.335 17969 465 1 9 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.665 -0.470 17969 466 1 9 . 1 1 15 15 ASN H H 14 9.053 9.053 8.281 0.772 17969 467 1 9 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.326 0.007 17969 468 1 9 . 1 1 16 16 PHE H H 15 7.646 7.646 8.866 -1.220 17969 469 1 9 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.506 -0.530 17969 470 1 9 . 1 1 17 17 ARG H H 16 8.165 8.165 8.589 -0.424 17969 471 1 9 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.282 -0.274 17969 472 1 9 . 1 1 18 18 LYS H H 17 5.940 5.940 8.373 -2.433 17969 473 1 9 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.551 -0.375 17969 474 1 9 . 1 1 19 19 ARG H H 18 8.261 8.261 7.791 0.470 17969 475 1 9 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.504 -0.365 17969 476 1 9 . 1 1 20 20 LEU H H 19 8.696 8.696 8.868 -0.172 17969 477 1 9 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.558 0.402 17969 478 1 9 . 1 1 21 21 LYS H H 20 7.487 7.487 7.650 -0.163 17969 479 1 9 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.682 -0.749 17969 480 1 9 . 1 1 22 22 CYS H H 21 9.615 9.615 9.060 0.555 17969 481 1 9 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.485 -0.474 17969 482 1 9 . 1 1 23 23 PHE H H 22 9.007 9.007 8.925 0.082 17969 483 1 9 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.145 -0.074 17969 484 1 9 . 1 1 24 24 ARG H H 23 8.787 8.787 8.184 0.603 17969 485 1 9 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.845 -0.100 17969 486 1 9 . 1 1 25 25 CYS H H 24 8.257 8.257 8.042 0.215 17969 487 1 9 . 1 1 26 26 GLY H H 25 7.512 7.512 8.231 -0.719 17969 488 1 9 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.443 -0.352 17969 489 1 9 . 1 1 27 27 ALA H H 26 8.702 8.702 7.382 1.320 17969 490 1 9 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.605 -0.204 17969 491 1 9 . 1 1 28 28 ASP H H 27 8.457 8.457 8.691 -0.234 17969 492 1 9 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.857 -1.376 17969 493 1 9 . 1 1 29 29 LYS H H 28 7.308 7.308 8.658 -1.350 17969 494 1 9 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.554 -0.256 17969 495 1 9 . 1 1 30 30 PHE H H 29 7.708 7.708 8.057 -0.349 17969 496 1 10 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.503 0.055 17969 497 1 10 . 1 1 3 3 PHE H H 2 8.336 8.336 8.845 -0.509 17969 498 1 10 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.560 -0.278 17969 499 1 10 . 1 1 4 4 GLU H H 3 8.032 8.032 7.647 0.385 17969 500 1 10 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.459 -1.027 17969 501 1 10 . 1 1 5 5 ASP H H 4 8.089 8.089 8.073 0.016 17969 502 1 10 . 1 1 6 6 TRP HA H 5 4.865 4.865 4.996 -0.131 17969 503 1 10 . 1 1 6 6 TRP H H 5 8.350 8.350 8.270 0.080 17969 504 1 10 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.601 -0.220 17969 505 1 10 . 1 1 7 7 LEU H H 6 8.634 8.634 8.564 0.070 17969 506 1 10 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.679 -0.192 17969 507 1 10 . 1 1 8 8 CYS H H 7 8.442 8.442 8.795 -0.353 17969 508 1 10 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.752 -0.377 17969 509 1 10 . 1 1 9 9 ASN H H 8 8.949 8.949 9.086 -0.137 17969 510 1 10 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.549 -0.308 17969 511 1 10 . 1 1 10 10 LYS H H 9 9.070 9.070 8.148 0.922 17969 512 1 10 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.964 -0.894 17969 513 1 10 . 1 1 11 11 CYS H H 10 8.811 8.811 8.623 0.188 17969 514 1 10 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.210 -0.235 17969 515 1 10 . 1 1 12 12 CYS H H 11 7.612 7.612 8.137 -0.525 17969 516 1 10 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.452 -0.474 17969 517 1 10 . 1 1 13 13 LEU H H 12 7.611 7.611 7.315 0.296 17969 518 1 10 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.758 -0.220 17969 519 1 10 . 1 1 14 14 ASN H H 13 8.373 8.373 8.619 -0.246 17969 520 1 10 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.685 -0.490 17969 521 1 10 . 1 1 15 15 ASN H H 14 9.053 9.053 8.274 0.779 17969 522 1 10 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.506 -0.173 17969 523 1 10 . 1 1 16 16 PHE H H 15 7.646 7.646 8.802 -1.156 17969 524 1 10 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.443 -0.467 17969 525 1 10 . 1 1 17 17 ARG H H 16 8.165 8.165 8.782 -0.617 17969 526 1 10 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.204 -0.196 17969 527 1 10 . 1 1 18 18 LYS H H 17 5.940 5.940 8.258 -2.318 17969 528 1 10 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.332 -0.156 17969 529 1 10 . 1 1 19 19 ARG H H 18 8.261 8.261 8.071 0.190 17969 530 1 10 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.328 -0.189 17969 531 1 10 . 1 1 20 20 LEU H H 19 8.696 8.696 8.909 -0.213 17969 532 1 10 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.700 0.260 17969 533 1 10 . 1 1 21 21 LYS H H 20 7.487 7.487 7.515 -0.028 17969 534 1 10 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.870 -0.937 17969 535 1 10 . 1 1 22 22 CYS H H 21 9.615 9.615 8.806 0.809 17969 536 1 10 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.635 -0.624 17969 537 1 10 . 1 1 23 23 PHE H H 22 9.007 9.007 8.944 0.063 17969 538 1 10 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.438 -0.367 17969 539 1 10 . 1 1 24 24 ARG H H 23 8.787 8.787 7.956 0.831 17969 540 1 10 . 1 1 25 25 CYS HA H 24 4.745 4.745 5.046 -0.301 17969 541 1 10 . 1 1 25 25 CYS H H 24 8.257 8.257 8.162 0.095 17969 542 1 10 . 1 1 26 26 GLY H H 25 7.512 7.512 8.153 -0.641 17969 543 1 10 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.252 -0.161 17969 544 1 10 . 1 1 27 27 ALA H H 26 8.702 8.702 7.471 1.231 17969 545 1 10 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.769 -0.368 17969 546 1 10 . 1 1 28 28 ASP H H 27 8.457 8.457 8.670 -0.213 17969 547 1 10 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.872 -1.391 17969 548 1 10 . 1 1 29 29 LYS H H 28 7.308 7.308 8.244 -0.936 17969 549 1 10 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.618 -0.320 17969 550 1 10 . 1 1 30 30 PHE H H 29 7.708 7.708 7.750 -0.042 17969 551 1 11 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.476 0.082 17969 552 1 11 . 1 1 3 3 PHE H H 2 8.336 8.336 9.071 -0.735 17969 553 1 11 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.045 0.236 17969 554 1 11 . 1 1 4 4 GLU H H 3 8.032 8.032 8.140 -0.108 17969 555 1 11 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.414 -0.982 17969 556 1 11 . 1 1 5 5 ASP H H 4 8.089 8.089 7.964 0.125 17969 557 1 11 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.101 -0.236 17969 558 1 11 . 1 1 6 6 TRP H H 5 8.350 8.350 8.506 -0.156 17969 559 1 11 . 1 1 7 7 LEU HA H 6 4.381 4.381 5.180 -0.799 17969 560 1 11 . 1 1 7 7 LEU H H 6 8.634 8.634 8.546 0.088 17969 561 1 11 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.852 -0.365 17969 562 1 11 . 1 1 8 8 CYS H H 7 8.442 8.442 8.908 -0.466 17969 563 1 11 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.682 -0.307 17969 564 1 11 . 1 1 9 9 ASN H H 8 8.949 8.949 9.047 -0.098 17969 565 1 11 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.485 -0.244 17969 566 1 11 . 1 1 10 10 LYS H H 9 9.070 9.070 8.090 0.980 17969 567 1 11 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.846 -0.776 17969 568 1 11 . 1 1 11 11 CYS H H 10 8.811 8.811 8.626 0.185 17969 569 1 11 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.227 -0.252 17969 570 1 11 . 1 1 12 12 CYS H H 11 7.612 7.612 8.005 -0.394 17969 571 1 11 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.332 -0.354 17969 572 1 11 . 1 1 13 13 LEU H H 12 7.611 7.611 7.419 0.192 17969 573 1 11 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.920 -0.382 17969 574 1 11 . 1 1 14 14 ASN H H 13 8.373 8.373 8.591 -0.218 17969 575 1 11 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.750 -0.555 17969 576 1 11 . 1 1 15 15 ASN H H 14 9.053 9.053 8.231 0.822 17969 577 1 11 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.619 -0.286 17969 578 1 11 . 1 1 16 16 PHE H H 15 7.646 7.646 8.865 -1.219 17969 579 1 11 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.414 -0.438 17969 580 1 11 . 1 1 17 17 ARG H H 16 8.165 8.165 8.490 -0.325 17969 581 1 11 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.272 -0.264 17969 582 1 11 . 1 1 18 18 LYS H H 17 5.940 5.940 8.414 -2.474 17969 583 1 11 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.282 -0.106 17969 584 1 11 . 1 1 19 19 ARG H H 18 8.261 8.261 7.731 0.530 17969 585 1 11 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.689 -0.550 17969 586 1 11 . 1 1 20 20 LEU H H 19 8.696 8.696 8.461 0.235 17969 587 1 11 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.539 0.421 17969 588 1 11 . 1 1 21 21 LYS H H 20 7.487 7.487 7.678 -0.191 17969 589 1 11 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.951 -1.018 17969 590 1 11 . 1 1 22 22 CYS H H 21 9.615 9.615 8.742 0.873 17969 591 1 11 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.456 -0.445 17969 592 1 11 . 1 1 23 23 PHE H H 22 9.007 9.007 8.879 0.128 17969 593 1 11 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.224 -0.153 17969 594 1 11 . 1 1 24 24 ARG H H 23 8.787 8.787 8.099 0.688 17969 595 1 11 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.863 -0.118 17969 596 1 11 . 1 1 25 25 CYS H H 24 8.257 8.257 8.391 -0.134 17969 597 1 11 . 1 1 26 26 GLY H H 25 7.512 7.512 8.227 -0.715 17969 598 1 11 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.299 -0.208 17969 599 1 11 . 1 1 27 27 ALA H H 26 8.702 8.702 7.403 1.299 17969 600 1 11 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.650 -0.249 17969 601 1 11 . 1 1 28 28 ASP H H 27 8.457 8.457 8.633 -0.176 17969 602 1 11 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.906 -1.425 17969 603 1 11 . 1 1 29 29 LYS H H 28 7.308 7.308 8.524 -1.216 17969 604 1 11 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.590 -0.292 17969 605 1 11 . 1 1 30 30 PHE H H 29 7.708 7.708 7.984 -0.276 17969 606 1 12 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.444 0.114 17969 607 1 12 . 1 1 3 3 PHE H H 2 8.336 8.336 8.407 -0.071 17969 608 1 12 . 1 1 4 4 GLU HA H 3 4.282 4.282 3.969 0.313 17969 609 1 12 . 1 1 4 4 GLU H H 3 8.032 8.032 8.284 -0.252 17969 610 1 12 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.373 -0.941 17969 611 1 12 . 1 1 5 5 ASP H H 4 8.089 8.089 7.900 0.189 17969 612 1 12 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.087 -0.222 17969 613 1 12 . 1 1 6 6 TRP H H 5 8.350 8.350 8.259 0.091 17969 614 1 12 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.799 -0.418 17969 615 1 12 . 1 1 7 7 LEU H H 6 8.634 8.634 8.487 0.147 17969 616 1 12 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.745 -0.258 17969 617 1 12 . 1 1 8 8 CYS H H 7 8.442 8.442 8.774 -0.332 17969 618 1 12 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.736 -0.361 17969 619 1 12 . 1 1 9 9 ASN H H 8 8.949 8.949 9.028 -0.079 17969 620 1 12 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.523 -0.282 17969 621 1 12 . 1 1 10 10 LYS H H 9 9.070 9.070 8.183 0.887 17969 622 1 12 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.971 -0.901 17969 623 1 12 . 1 1 11 11 CYS H H 10 8.811 8.811 8.271 0.540 17969 624 1 12 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.225 -0.250 17969 625 1 12 . 1 1 12 12 CYS H H 11 7.612 7.612 8.050 -0.438 17969 626 1 12 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.440 -0.462 17969 627 1 12 . 1 1 13 13 LEU H H 12 7.611 7.611 7.319 0.292 17969 628 1 12 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.748 -0.210 17969 629 1 12 . 1 1 14 14 ASN H H 13 8.373 8.373 8.605 -0.232 17969 630 1 12 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.755 -0.560 17969 631 1 12 . 1 1 15 15 ASN H H 14 9.053 9.053 8.272 0.781 17969 632 1 12 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.404 -0.071 17969 633 1 12 . 1 1 16 16 PHE H H 15 7.646 7.646 8.823 -1.177 17969 634 1 12 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.496 -0.520 17969 635 1 12 . 1 1 17 17 ARG H H 16 8.165 8.165 8.604 -0.439 17969 636 1 12 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.350 -0.342 17969 637 1 12 . 1 1 18 18 LYS H H 17 5.940 5.940 8.318 -2.378 17969 638 1 12 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.451 -0.275 17969 639 1 12 . 1 1 19 19 ARG H H 18 8.261 8.261 7.968 0.293 17969 640 1 12 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.305 -0.166 17969 641 1 12 . 1 1 20 20 LEU H H 19 8.696 8.696 8.800 -0.104 17969 642 1 12 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.627 0.333 17969 643 1 12 . 1 1 21 21 LYS H H 20 7.487 7.487 7.678 -0.191 17969 644 1 12 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.582 -0.649 17969 645 1 12 . 1 1 22 22 CYS H H 21 9.615 9.615 8.848 0.767 17969 646 1 12 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.441 -0.430 17969 647 1 12 . 1 1 23 23 PHE H H 22 9.007 9.007 9.309 -0.302 17969 648 1 12 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.402 -0.331 17969 649 1 12 . 1 1 24 24 ARG H H 23 8.787 8.787 7.965 0.822 17969 650 1 12 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.890 -0.145 17969 651 1 12 . 1 1 25 25 CYS H H 24 8.257 8.257 8.141 0.116 17969 652 1 12 . 1 1 26 26 GLY H H 25 7.512 7.512 8.104 -0.592 17969 653 1 12 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.294 -0.203 17969 654 1 12 . 1 1 27 27 ALA H H 26 8.702 8.702 7.435 1.267 17969 655 1 12 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.613 -0.212 17969 656 1 12 . 1 1 28 28 ASP H H 27 8.457 8.457 8.751 -0.294 17969 657 1 12 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.899 -1.418 17969 658 1 12 . 1 1 29 29 LYS H H 28 7.308 7.308 8.598 -1.290 17969 659 1 12 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.690 -0.392 17969 660 1 12 . 1 1 30 30 PHE H H 29 7.708 7.708 7.794 -0.086 17969 661 1 13 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.442 0.116 17969 662 1 13 . 1 1 3 3 PHE H H 2 8.336 8.336 8.412 -0.076 17969 663 1 13 . 1 1 4 4 GLU HA H 3 4.282 4.282 3.900 0.382 17969 664 1 13 . 1 1 4 4 GLU H H 3 8.032 8.032 8.218 -0.186 17969 665 1 13 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.295 -0.863 17969 666 1 13 . 1 1 5 5 ASP H H 4 8.089 8.089 7.826 0.263 17969 667 1 13 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.070 -0.205 17969 668 1 13 . 1 1 6 6 TRP H H 5 8.350 8.350 8.444 -0.094 17969 669 1 13 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.747 -0.366 17969 670 1 13 . 1 1 7 7 LEU H H 6 8.634 8.634 8.440 0.194 17969 671 1 13 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.716 -0.229 17969 672 1 13 . 1 1 8 8 CYS H H 7 8.442 8.442 8.642 -0.200 17969 673 1 13 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.802 -0.427 17969 674 1 13 . 1 1 9 9 ASN H H 8 8.949 8.949 9.015 -0.066 17969 675 1 13 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.522 -0.281 17969 676 1 13 . 1 1 10 10 LYS H H 9 9.070 9.070 8.198 0.872 17969 677 1 13 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.830 -0.760 17969 678 1 13 . 1 1 11 11 CYS H H 10 8.811 8.811 8.290 0.521 17969 679 1 13 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.184 -0.209 17969 680 1 13 . 1 1 12 12 CYS H H 11 7.612 7.612 8.080 -0.468 17969 681 1 13 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.433 -0.455 17969 682 1 13 . 1 1 13 13 LEU H H 12 7.611 7.611 7.326 0.285 17969 683 1 13 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.797 -0.259 17969 684 1 13 . 1 1 14 14 ASN H H 13 8.373 8.373 8.591 -0.218 17969 685 1 13 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.637 -0.442 17969 686 1 13 . 1 1 15 15 ASN H H 14 9.053 9.053 8.199 0.854 17969 687 1 13 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.150 0.183 17969 688 1 13 . 1 1 16 16 PHE H H 15 7.646 7.646 8.956 -1.310 17969 689 1 13 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.422 -0.446 17969 690 1 13 . 1 1 17 17 ARG H H 16 8.165 8.165 8.917 -0.752 17969 691 1 13 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.256 -0.248 17969 692 1 13 . 1 1 18 18 LYS H H 17 5.940 5.940 8.358 -2.418 17969 693 1 13 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.283 -0.107 17969 694 1 13 . 1 1 19 19 ARG H H 18 8.261 8.261 7.714 0.547 17969 695 1 13 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.603 -0.464 17969 696 1 13 . 1 1 20 20 LEU H H 19 8.696 8.696 8.466 0.230 17969 697 1 13 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.667 0.293 17969 698 1 13 . 1 1 21 21 LYS H H 20 7.487 7.487 7.284 0.203 17969 699 1 13 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.662 -0.729 17969 700 1 13 . 1 1 22 22 CYS H H 21 9.615 9.615 8.805 0.810 17969 701 1 13 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.641 -0.630 17969 702 1 13 . 1 1 23 23 PHE H H 22 9.007 9.007 8.940 0.067 17969 703 1 13 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.534 -0.463 17969 704 1 13 . 1 1 24 24 ARG H H 23 8.787 8.787 8.005 0.782 17969 705 1 13 . 1 1 25 25 CYS HA H 24 4.745 4.745 5.082 -0.337 17969 706 1 13 . 1 1 25 25 CYS H H 24 8.257 8.257 8.200 0.057 17969 707 1 13 . 1 1 26 26 GLY H H 25 7.512 7.512 8.127 -0.615 17969 708 1 13 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.237 -0.146 17969 709 1 13 . 1 1 27 27 ALA H H 26 8.702 8.702 7.470 1.232 17969 710 1 13 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.674 -0.273 17969 711 1 13 . 1 1 28 28 ASP H H 27 8.457 8.457 8.562 -0.105 17969 712 1 13 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.791 -1.310 17969 713 1 13 . 1 1 29 29 LYS H H 28 7.308 7.308 8.154 -0.846 17969 714 1 13 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.631 -0.333 17969 715 1 13 . 1 1 30 30 PHE H H 29 7.708 7.708 7.859 -0.151 17969 716 1 14 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.654 -0.096 17969 717 1 14 . 1 1 3 3 PHE H H 2 8.336 8.336 9.137 -0.801 17969 718 1 14 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.480 -0.198 17969 719 1 14 . 1 1 4 4 GLU H H 3 8.032 8.032 7.867 0.165 17969 720 1 14 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.298 -0.866 17969 721 1 14 . 1 1 5 5 ASP H H 4 8.089 8.089 7.964 0.125 17969 722 1 14 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.104 -0.239 17969 723 1 14 . 1 1 6 6 TRP H H 5 8.350 8.350 8.261 0.089 17969 724 1 14 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.724 -0.343 17969 725 1 14 . 1 1 7 7 LEU H H 6 8.634 8.634 8.467 0.167 17969 726 1 14 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.668 -0.181 17969 727 1 14 . 1 1 8 8 CYS H H 7 8.442 8.442 8.640 -0.198 17969 728 1 14 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.763 -0.388 17969 729 1 14 . 1 1 9 9 ASN H H 8 8.949 8.949 9.101 -0.152 17969 730 1 14 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.433 -0.192 17969 731 1 14 . 1 1 10 10 LYS H H 9 9.070 9.070 8.154 0.916 17969 732 1 14 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.909 -0.839 17969 733 1 14 . 1 1 11 11 CYS H H 10 8.811 8.811 8.540 0.271 17969 734 1 14 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.209 -0.234 17969 735 1 14 . 1 1 12 12 CYS H H 11 7.612 7.612 7.921 -0.309 17969 736 1 14 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.355 -0.377 17969 737 1 14 . 1 1 13 13 LEU H H 12 7.611 7.611 7.391 0.220 17969 738 1 14 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.771 -0.233 17969 739 1 14 . 1 1 14 14 ASN H H 13 8.373 8.373 8.638 -0.265 17969 740 1 14 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.588 -0.393 17969 741 1 14 . 1 1 15 15 ASN H H 14 9.053 9.053 8.293 0.761 17969 742 1 14 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.198 0.135 17969 743 1 14 . 1 1 16 16 PHE H H 15 7.646 7.646 8.870 -1.224 17969 744 1 14 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.233 -0.257 17969 745 1 14 . 1 1 17 17 ARG H H 16 8.165 8.165 8.180 -0.015 17969 746 1 14 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.120 -0.112 17969 747 1 14 . 1 1 18 18 LYS H H 17 5.940 5.940 7.512 -1.572 17969 748 1 14 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.347 -0.171 17969 749 1 14 . 1 1 19 19 ARG H H 18 8.261 8.261 7.705 0.556 17969 750 1 14 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.510 -0.371 17969 751 1 14 . 1 1 20 20 LEU H H 19 8.696 8.696 8.745 -0.049 17969 752 1 14 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.655 0.305 17969 753 1 14 . 1 1 21 21 LYS H H 20 7.487 7.487 7.469 0.018 17969 754 1 14 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.823 -0.890 17969 755 1 14 . 1 1 22 22 CYS H H 21 9.615 9.615 8.853 0.762 17969 756 1 14 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.515 -0.504 17969 757 1 14 . 1 1 23 23 PHE H H 22 9.007 9.007 9.121 -0.114 17969 758 1 14 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.310 -0.239 17969 759 1 14 . 1 1 24 24 ARG H H 23 8.787 8.787 8.051 0.736 17969 760 1 14 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.905 -0.161 17969 761 1 14 . 1 1 25 25 CYS H H 24 8.257 8.257 8.328 -0.071 17969 762 1 14 . 1 1 26 26 GLY H H 25 7.512 7.512 8.225 -0.713 17969 763 1 14 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.323 -0.232 17969 764 1 14 . 1 1 27 27 ALA H H 26 8.702 8.702 7.441 1.261 17969 765 1 14 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.587 -0.186 17969 766 1 14 . 1 1 28 28 ASP H H 27 8.457 8.457 8.485 -0.028 17969 767 1 14 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.791 -1.310 17969 768 1 14 . 1 1 29 29 LYS H H 28 7.308 7.308 8.491 -1.183 17969 769 1 14 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.579 -0.281 17969 770 1 14 . 1 1 30 30 PHE H H 29 7.708 7.708 7.526 0.182 17969 771 1 15 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.422 0.136 17969 772 1 15 . 1 1 3 3 PHE H H 2 8.336 8.336 9.077 -0.741 17969 773 1 15 . 1 1 4 4 GLU HA H 3 4.282 4.282 3.922 0.360 17969 774 1 15 . 1 1 4 4 GLU H H 3 8.032 8.032 7.903 0.129 17969 775 1 15 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.229 -0.797 17969 776 1 15 . 1 1 5 5 ASP H H 4 8.089 8.089 7.828 0.261 17969 777 1 15 . 1 1 6 6 TRP HA H 5 4.865 4.865 4.996 -0.131 17969 778 1 15 . 1 1 6 6 TRP H H 5 8.350 8.350 8.210 0.140 17969 779 1 15 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.648 -0.267 17969 780 1 15 . 1 1 7 7 LEU H H 6 8.634 8.634 8.301 0.333 17969 781 1 15 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.920 -0.433 17969 782 1 15 . 1 1 8 8 CYS H H 7 8.442 8.442 8.682 -0.240 17969 783 1 15 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.768 -0.393 17969 784 1 15 . 1 1 9 9 ASN H H 8 8.949 8.949 9.063 -0.114 17969 785 1 15 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.525 -0.284 17969 786 1 15 . 1 1 10 10 LYS H H 9 9.070 9.070 7.915 1.155 17969 787 1 15 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.929 -0.859 17969 788 1 15 . 1 1 11 11 CYS H H 10 8.811 8.811 8.395 0.416 17969 789 1 15 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.125 -0.150 17969 790 1 15 . 1 1 12 12 CYS H H 11 7.612 7.612 8.052 -0.440 17969 791 1 15 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.488 -0.510 17969 792 1 15 . 1 1 13 13 LEU H H 12 7.611 7.611 7.317 0.294 17969 793 1 15 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.935 -0.397 17969 794 1 15 . 1 1 14 14 ASN H H 13 8.373 8.373 8.622 -0.249 17969 795 1 15 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.734 -0.539 17969 796 1 15 . 1 1 15 15 ASN H H 14 9.053 9.053 8.300 0.753 17969 797 1 15 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.184 0.149 17969 798 1 15 . 1 1 16 16 PHE H H 15 7.646 7.646 8.900 -1.254 17969 799 1 15 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.461 -0.485 17969 800 1 15 . 1 1 17 17 ARG H H 16 8.165 8.165 8.906 -0.741 17969 801 1 15 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.303 -0.295 17969 802 1 15 . 1 1 18 18 LYS H H 17 5.940 5.940 8.364 -2.424 17969 803 1 15 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.348 -0.172 17969 804 1 15 . 1 1 19 19 ARG H H 18 8.261 8.261 7.886 0.374 17969 805 1 15 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.368 -0.229 17969 806 1 15 . 1 1 20 20 LEU H H 19 8.696 8.696 8.743 -0.047 17969 807 1 15 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.527 0.433 17969 808 1 15 . 1 1 21 21 LYS H H 20 7.487 7.487 7.461 0.026 17969 809 1 15 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.601 -0.668 17969 810 1 15 . 1 1 22 22 CYS H H 21 9.615 9.615 8.871 0.744 17969 811 1 15 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.537 -0.526 17969 812 1 15 . 1 1 23 23 PHE H H 22 9.007 9.007 8.759 0.248 17969 813 1 15 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.473 -0.402 17969 814 1 15 . 1 1 24 24 ARG H H 23 8.787 8.787 7.976 0.811 17969 815 1 15 . 1 1 25 25 CYS HA H 24 4.745 4.745 5.041 -0.296 17969 816 1 15 . 1 1 25 25 CYS H H 24 8.257 8.257 8.027 0.230 17969 817 1 15 . 1 1 26 26 GLY H H 25 7.512 7.512 8.142 -0.630 17969 818 1 15 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.232 -0.141 17969 819 1 15 . 1 1 27 27 ALA H H 26 8.702 8.702 7.579 1.123 17969 820 1 15 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.566 -0.165 17969 821 1 15 . 1 1 28 28 ASP H H 27 8.457 8.457 8.508 -0.051 17969 822 1 15 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.704 -1.223 17969 823 1 15 . 1 1 29 29 LYS H H 28 7.308 7.308 8.491 -1.183 17969 824 1 15 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.699 -0.401 17969 825 1 15 . 1 1 30 30 PHE H H 29 7.708 7.708 8.860 -1.152 17969 826 1 16 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.534 0.024 17969 827 1 16 . 1 1 3 3 PHE H H 2 8.336 8.336 8.483 -0.147 17969 828 1 16 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.032 0.250 17969 829 1 16 . 1 1 4 4 GLU H H 3 8.032 8.032 8.157 -0.125 17969 830 1 16 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.410 -0.978 17969 831 1 16 . 1 1 5 5 ASP H H 4 8.089 8.089 7.901 0.188 17969 832 1 16 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.005 -0.140 17969 833 1 16 . 1 1 6 6 TRP H H 5 8.350 8.350 8.259 0.091 17969 834 1 16 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.687 -0.306 17969 835 1 16 . 1 1 7 7 LEU H H 6 8.634 8.634 8.385 0.249 17969 836 1 16 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.568 -0.081 17969 837 1 16 . 1 1 8 8 CYS H H 7 8.442 8.442 8.593 -0.151 17969 838 1 16 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.678 -0.303 17969 839 1 16 . 1 1 9 9 ASN H H 8 8.949 8.949 8.717 0.232 17969 840 1 16 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.501 -0.260 17969 841 1 16 . 1 1 10 10 LYS H H 9 9.070 9.070 8.149 0.921 17969 842 1 16 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.927 -0.857 17969 843 1 16 . 1 1 11 11 CYS H H 10 8.811 8.811 8.556 0.255 17969 844 1 16 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.171 -0.196 17969 845 1 16 . 1 1 12 12 CYS H H 11 7.612 7.612 8.041 -0.429 17969 846 1 16 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.329 -0.351 17969 847 1 16 . 1 1 13 13 LEU H H 12 7.611 7.611 7.321 0.290 17969 848 1 16 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.805 -0.267 17969 849 1 16 . 1 1 14 14 ASN H H 13 8.373 8.373 8.535 -0.162 17969 850 1 16 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.605 -0.410 17969 851 1 16 . 1 1 15 15 ASN H H 14 9.053 9.053 8.118 0.935 17969 852 1 16 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.226 0.107 17969 853 1 16 . 1 1 16 16 PHE H H 15 7.646 7.646 8.919 -1.273 17969 854 1 16 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.434 -0.458 17969 855 1 16 . 1 1 17 17 ARG H H 16 8.165 8.165 8.973 -0.808 17969 856 1 16 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.206 -0.198 17969 857 1 16 . 1 1 18 18 LYS H H 17 5.940 5.940 8.381 -2.441 17969 858 1 16 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.518 -0.342 17969 859 1 16 . 1 1 19 19 ARG H H 18 8.261 8.261 7.897 0.364 17969 860 1 16 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.435 -0.296 17969 861 1 16 . 1 1 20 20 LEU H H 19 8.696 8.696 8.877 -0.181 17969 862 1 16 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.525 0.435 17969 863 1 16 . 1 1 21 21 LYS H H 20 7.487 7.487 7.664 -0.177 17969 864 1 16 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.801 -0.868 17969 865 1 16 . 1 1 22 22 CYS H H 21 9.615 9.615 9.134 0.481 17969 866 1 16 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.472 -0.461 17969 867 1 16 . 1 1 23 23 PHE H H 22 9.007 9.007 9.132 -0.125 17969 868 1 16 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.226 -0.155 17969 869 1 16 . 1 1 24 24 ARG H H 23 8.787 8.787 8.195 0.592 17969 870 1 16 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.900 -0.155 17969 871 1 16 . 1 1 25 25 CYS H H 24 8.257 8.257 8.264 -0.007 17969 872 1 16 . 1 1 26 26 GLY H H 25 7.512 7.512 8.275 -0.763 17969 873 1 16 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.442 -0.351 17969 874 1 16 . 1 1 27 27 ALA H H 26 8.702 8.702 7.360 1.342 17969 875 1 16 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.577 -0.176 17969 876 1 16 . 1 1 28 28 ASP H H 27 8.457 8.457 8.701 -0.244 17969 877 1 16 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.713 -1.232 17969 878 1 16 . 1 1 29 29 LYS H H 28 7.308 7.308 8.559 -1.251 17969 879 1 16 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.577 -0.279 17969 880 1 16 . 1 1 30 30 PHE H H 29 7.708 7.708 7.919 -0.211 17969 881 1 17 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.379 0.179 17969 882 1 17 . 1 1 3 3 PHE H H 2 8.336 8.336 8.532 -0.196 17969 883 1 17 . 1 1 4 4 GLU HA H 3 4.282 4.282 3.885 0.397 17969 884 1 17 . 1 1 4 4 GLU H H 3 8.032 8.032 8.267 -0.235 17969 885 1 17 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.320 -0.888 17969 886 1 17 . 1 1 5 5 ASP H H 4 8.089 8.089 7.843 0.246 17969 887 1 17 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.086 -0.221 17969 888 1 17 . 1 1 6 6 TRP H H 5 8.350 8.350 8.400 -0.050 17969 889 1 17 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.697 -0.316 17969 890 1 17 . 1 1 7 7 LEU H H 6 8.634 8.634 8.543 0.091 17969 891 1 17 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.848 -0.361 17969 892 1 17 . 1 1 8 8 CYS H H 7 8.442 8.442 9.023 -0.581 17969 893 1 17 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.739 -0.364 17969 894 1 17 . 1 1 9 9 ASN H H 8 8.949 8.949 9.075 -0.126 17969 895 1 17 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.479 -0.238 17969 896 1 17 . 1 1 10 10 LYS H H 9 9.070 9.070 8.123 0.947 17969 897 1 17 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.937 -0.867 17969 898 1 17 . 1 1 11 11 CYS H H 10 8.811 8.811 8.645 0.166 17969 899 1 17 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.243 -0.268 17969 900 1 17 . 1 1 12 12 CYS H H 11 7.612 7.612 8.093 -0.481 17969 901 1 17 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.423 -0.445 17969 902 1 17 . 1 1 13 13 LEU H H 12 7.611 7.611 7.337 0.274 17969 903 1 17 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.841 -0.303 17969 904 1 17 . 1 1 14 14 ASN H H 13 8.373 8.373 8.609 -0.236 17969 905 1 17 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.629 -0.434 17969 906 1 17 . 1 1 15 15 ASN H H 14 9.053 9.053 8.114 0.939 17969 907 1 17 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.209 0.124 17969 908 1 17 . 1 1 16 16 PHE H H 15 7.646 7.646 8.983 -1.337 17969 909 1 17 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.403 -0.427 17969 910 1 17 . 1 1 17 17 ARG H H 16 8.165 8.165 8.643 -0.478 17969 911 1 17 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.258 -0.250 17969 912 1 17 . 1 1 18 18 LYS H H 17 5.940 5.940 8.462 -2.522 17969 913 1 17 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.317 -0.141 17969 914 1 17 . 1 1 19 19 ARG H H 18 8.261 8.261 7.650 0.611 17969 915 1 17 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.770 -0.631 17969 916 1 17 . 1 1 20 20 LEU H H 19 8.696 8.696 8.498 0.198 17969 917 1 17 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.598 0.362 17969 918 1 17 . 1 1 21 21 LYS H H 20 7.487 7.487 7.692 -0.205 17969 919 1 17 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.740 -0.807 17969 920 1 17 . 1 1 22 22 CYS H H 21 9.615 9.615 8.820 0.795 17969 921 1 17 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.613 -0.602 17969 922 1 17 . 1 1 23 23 PHE H H 22 9.007 9.007 9.013 -0.006 17969 923 1 17 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.419 -0.348 17969 924 1 17 . 1 1 24 24 ARG H H 23 8.787 8.787 8.012 0.775 17969 925 1 17 . 1 1 25 25 CYS HA H 24 4.745 4.745 5.037 -0.292 17969 926 1 17 . 1 1 25 25 CYS H H 24 8.257 8.257 8.193 0.064 17969 927 1 17 . 1 1 26 26 GLY H H 25 7.512 7.512 8.108 -0.596 17969 928 1 17 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.226 -0.135 17969 929 1 17 . 1 1 27 27 ALA H H 26 8.702 8.702 7.563 1.139 17969 930 1 17 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.675 -0.274 17969 931 1 17 . 1 1 28 28 ASP H H 27 8.457 8.457 8.438 0.019 17969 932 1 17 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.837 -1.356 17969 933 1 17 . 1 1 29 29 LYS H H 28 7.308 7.308 8.201 -0.893 17969 934 1 17 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.711 -0.413 17969 935 1 17 . 1 1 30 30 PHE H H 29 7.708 7.708 7.935 -0.227 17969 936 1 18 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.633 -0.075 17969 937 1 18 . 1 1 3 3 PHE H H 2 8.336 8.336 8.949 -0.613 17969 938 1 18 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.287 -0.005 17969 939 1 18 . 1 1 4 4 GLU H H 3 8.032 8.032 7.689 0.343 17969 940 1 18 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.416 -0.984 17969 941 1 18 . 1 1 5 5 ASP H H 4 8.089 8.089 7.848 0.241 17969 942 1 18 . 1 1 6 6 TRP HA H 5 4.865 4.865 4.920 -0.055 17969 943 1 18 . 1 1 6 6 TRP H H 5 8.350 8.350 8.569 -0.219 17969 944 1 18 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.883 -0.502 17969 945 1 18 . 1 1 7 7 LEU H H 6 8.634 8.634 8.185 0.449 17969 946 1 18 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.749 -0.262 17969 947 1 18 . 1 1 8 8 CYS H H 7 8.442 8.442 8.834 -0.392 17969 948 1 18 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.785 -0.410 17969 949 1 18 . 1 1 9 9 ASN H H 8 8.949 8.949 9.046 -0.097 17969 950 1 18 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.435 -0.194 17969 951 1 18 . 1 1 10 10 LYS H H 9 9.070 9.070 8.134 0.936 17969 952 1 18 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.899 -0.829 17969 953 1 18 . 1 1 11 11 CYS H H 10 8.811 8.811 8.578 0.233 17969 954 1 18 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.221 -0.246 17969 955 1 18 . 1 1 12 12 CYS H H 11 7.612 7.612 8.088 -0.476 17969 956 1 18 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.359 -0.381 17969 957 1 18 . 1 1 13 13 LEU H H 12 7.611 7.611 7.307 0.304 17969 958 1 18 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.808 -0.270 17969 959 1 18 . 1 1 14 14 ASN H H 13 8.373 8.373 8.527 -0.154 17969 960 1 18 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.583 -0.388 17969 961 1 18 . 1 1 15 15 ASN H H 14 9.053 9.053 8.213 0.840 17969 962 1 18 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.252 0.081 17969 963 1 18 . 1 1 16 16 PHE H H 15 7.646 7.646 8.743 -1.097 17969 964 1 18 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.372 -0.396 17969 965 1 18 . 1 1 17 17 ARG H H 16 8.165 8.165 9.038 -0.873 17969 966 1 18 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.287 -0.279 17969 967 1 18 . 1 1 18 18 LYS H H 17 5.940 5.940 8.434 -2.494 17969 968 1 18 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.315 -0.139 17969 969 1 18 . 1 1 19 19 ARG H H 18 8.261 8.261 7.766 0.495 17969 970 1 18 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.443 -0.304 17969 971 1 18 . 1 1 20 20 LEU H H 19 8.696 8.696 8.651 0.045 17969 972 1 18 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.521 0.439 17969 973 1 18 . 1 1 21 21 LYS H H 20 7.487 7.487 7.664 -0.177 17969 974 1 18 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.982 -1.049 17969 975 1 18 . 1 1 22 22 CYS H H 21 9.615 9.615 8.963 0.652 17969 976 1 18 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.520 -0.509 17969 977 1 18 . 1 1 23 23 PHE H H 22 9.007 9.007 8.906 0.101 17969 978 1 18 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.343 -0.272 17969 979 1 18 . 1 1 24 24 ARG H H 23 8.787 8.787 8.025 0.762 17969 980 1 18 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.899 -0.154 17969 981 1 18 . 1 1 25 25 CYS H H 24 8.257 8.257 8.413 -0.156 17969 982 1 18 . 1 1 26 26 GLY H H 25 7.512 7.512 8.109 -0.597 17969 983 1 18 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.413 -0.322 17969 984 1 18 . 1 1 27 27 ALA H H 26 8.702 8.702 7.375 1.327 17969 985 1 18 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.592 -0.191 17969 986 1 18 . 1 1 28 28 ASP H H 27 8.457 8.457 8.664 -0.207 17969 987 1 18 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.847 -1.366 17969 988 1 18 . 1 1 29 29 LYS H H 28 7.308 7.308 8.489 -1.181 17969 989 1 18 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.599 -0.301 17969 990 1 18 . 1 1 30 30 PHE H H 29 7.708 7.708 7.816 -0.108 17969 991 1 19 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.557 0.001 17969 992 1 19 . 1 1 3 3 PHE H H 2 8.336 8.336 8.249 0.087 17969 993 1 19 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.371 -0.089 17969 994 1 19 . 1 1 4 4 GLU H H 3 8.032 8.032 7.525 0.507 17969 995 1 19 . 1 1 5 5 ASP HA H 4 4.432 4.432 4.988 -0.556 17969 996 1 19 . 1 1 5 5 ASP H H 4 8.089 8.089 7.949 0.140 17969 997 1 19 . 1 1 6 6 TRP HA H 5 4.865 4.865 4.930 -0.065 17969 998 1 19 . 1 1 6 6 TRP H H 5 8.350 8.350 8.387 -0.037 17969 999 1 19 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.780 -0.399 17969 1000 1 19 . 1 1 7 7 LEU H H 6 8.634 8.634 8.424 0.210 17969 1001 1 19 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.841 -0.354 17969 1002 1 19 . 1 1 8 8 CYS H H 7 8.442 8.442 8.650 -0.208 17969 1003 1 19 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.764 -0.389 17969 1004 1 19 . 1 1 9 9 ASN H H 8 8.949 8.949 8.989 -0.040 17969 1005 1 19 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.452 -0.211 17969 1006 1 19 . 1 1 10 10 LYS H H 9 9.070 9.070 8.090 0.980 17969 1007 1 19 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.874 -0.804 17969 1008 1 19 . 1 1 11 11 CYS H H 10 8.811 8.811 8.404 0.407 17969 1009 1 19 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.235 -0.260 17969 1010 1 19 . 1 1 12 12 CYS H H 11 7.612 7.612 7.903 -0.291 17969 1011 1 19 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.420 -0.442 17969 1012 1 19 . 1 1 13 13 LEU H H 12 7.611 7.611 7.397 0.214 17969 1013 1 19 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.724 -0.186 17969 1014 1 19 . 1 1 14 14 ASN H H 13 8.373 8.373 8.662 -0.289 17969 1015 1 19 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.788 -0.593 17969 1016 1 19 . 1 1 15 15 ASN H H 14 9.053 9.053 8.203 0.850 17969 1017 1 19 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.456 -0.123 17969 1018 1 19 . 1 1 16 16 PHE H H 15 7.646 7.646 8.755 -1.109 17969 1019 1 19 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.483 -0.507 17969 1020 1 19 . 1 1 17 17 ARG H H 16 8.165 8.165 8.445 -0.280 17969 1021 1 19 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.171 -0.163 17969 1022 1 19 . 1 1 18 18 LYS H H 17 5.940 5.940 8.536 -2.596 17969 1023 1 19 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.314 -0.138 17969 1024 1 19 . 1 1 19 19 ARG H H 18 8.261 8.261 7.762 0.499 17969 1025 1 19 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.083 0.056 17969 1026 1 19 . 1 1 20 20 LEU H H 19 8.696 8.696 8.686 0.010 17969 1027 1 19 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.547 0.413 17969 1028 1 19 . 1 1 21 21 LYS H H 20 7.487 7.487 7.705 -0.218 17969 1029 1 19 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.686 -0.753 17969 1030 1 19 . 1 1 22 22 CYS H H 21 9.615 9.615 9.067 0.548 17969 1031 1 19 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.603 -0.592 17969 1032 1 19 . 1 1 23 23 PHE H H 22 9.007 9.007 9.430 -0.423 17969 1033 1 19 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.424 -0.353 17969 1034 1 19 . 1 1 24 24 ARG H H 23 8.787 8.787 7.931 0.856 17969 1035 1 19 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.963 -0.218 17969 1036 1 19 . 1 1 25 25 CYS H H 24 8.257 8.257 7.988 0.269 17969 1037 1 19 . 1 1 26 26 GLY H H 25 7.512 7.512 7.954 -0.442 17969 1038 1 19 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.198 -0.107 17969 1039 1 19 . 1 1 27 27 ALA H H 26 8.702 8.702 7.654 1.048 17969 1040 1 19 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.549 -0.148 17969 1041 1 19 . 1 1 28 28 ASP H H 27 8.457 8.457 8.523 -0.066 17969 1042 1 19 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.763 -1.282 17969 1043 1 19 . 1 1 29 29 LYS H H 28 7.308 7.308 8.185 -0.877 17969 1044 1 19 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.616 -0.318 17969 1045 1 19 . 1 1 30 30 PHE H H 29 7.708 7.708 8.796 -1.088 17969 1046 1 20 . 1 1 3 3 PHE HA H 2 4.558 4.558 4.443 0.115 17969 1047 1 20 . 1 1 3 3 PHE H H 2 8.336 8.336 8.141 0.195 17969 1048 1 20 . 1 1 4 4 GLU HA H 3 4.282 4.282 3.940 0.342 17969 1049 1 20 . 1 1 4 4 GLU H H 3 8.032 8.032 8.313 -0.281 17969 1050 1 20 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.395 -0.963 17969 1051 1 20 . 1 1 5 5 ASP H H 4 8.089 8.089 7.807 0.282 17969 1052 1 20 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.075 -0.210 17969 1053 1 20 . 1 1 6 6 TRP H H 5 8.350 8.350 8.283 0.067 17969 1054 1 20 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.752 -0.371 17969 1055 1 20 . 1 1 7 7 LEU H H 6 8.634 8.634 8.594 0.040 17969 1056 1 20 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.909 -0.422 17969 1057 1 20 . 1 1 8 8 CYS H H 7 8.442 8.442 8.869 -0.427 17969 1058 1 20 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.707 -0.332 17969 1059 1 20 . 1 1 9 9 ASN H H 8 8.949 8.949 9.055 -0.106 17969 1060 1 20 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.459 -0.218 17969 1061 1 20 . 1 1 10 10 LYS H H 9 9.070 9.070 7.986 1.084 17969 1062 1 20 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.997 -0.927 17969 1063 1 20 . 1 1 11 11 CYS H H 10 8.811 8.811 8.626 0.185 17969 1064 1 20 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.230 -0.255 17969 1065 1 20 . 1 1 12 12 CYS H H 11 7.612 7.612 8.203 -0.591 17969 1066 1 20 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.418 -0.440 17969 1067 1 20 . 1 1 13 13 LEU H H 12 7.611 7.611 7.325 0.286 17969 1068 1 20 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.904 -0.366 17969 1069 1 20 . 1 1 14 14 ASN H H 13 8.373 8.373 8.605 -0.232 17969 1070 1 20 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.746 -0.551 17969 1071 1 20 . 1 1 15 15 ASN H H 14 9.053 9.053 8.165 0.888 17969 1072 1 20 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.256 0.077 17969 1073 1 20 . 1 1 16 16 PHE H H 15 7.646 7.646 8.908 -1.262 17969 1074 1 20 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.377 -0.401 17969 1075 1 20 . 1 1 17 17 ARG H H 16 8.165 8.165 8.777 -0.612 17969 1076 1 20 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.330 -0.322 17969 1077 1 20 . 1 1 18 18 LYS H H 17 5.940 5.940 8.439 -2.499 17969 1078 1 20 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.362 -0.186 17969 1079 1 20 . 1 1 19 19 ARG H H 18 8.261 8.261 7.860 0.401 17969 1080 1 20 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.363 -0.224 17969 1081 1 20 . 1 1 20 20 LEU H H 19 8.696 8.696 8.809 -0.113 17969 1082 1 20 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.608 0.352 17969 1083 1 20 . 1 1 21 21 LYS H H 20 7.487 7.487 7.670 -0.183 17969 1084 1 20 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.843 -0.910 17969 1085 1 20 . 1 1 22 22 CYS H H 21 9.615 9.615 8.847 0.768 17969 1086 1 20 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.561 -0.550 17969 1087 1 20 . 1 1 23 23 PHE H H 22 9.007 9.007 8.871 0.136 17969 1088 1 20 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.458 -0.387 17969 1089 1 20 . 1 1 24 24 ARG H H 23 8.787 8.787 7.983 0.804 17969 1090 1 20 . 1 1 25 25 CYS HA H 24 4.745 4.745 5.033 -0.288 17969 1091 1 20 . 1 1 25 25 CYS H H 24 8.257 8.257 8.211 0.046 17969 1092 1 20 . 1 1 26 26 GLY H H 25 7.512 7.512 8.098 -0.586 17969 1093 1 20 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.246 -0.155 17969 1094 1 20 . 1 1 27 27 ALA H H 26 8.702 8.702 7.672 1.030 17969 1095 1 20 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.752 -0.351 17969 1096 1 20 . 1 1 28 28 ASP H H 27 8.457 8.457 8.359 0.098 17969 1097 1 20 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.796 -1.315 17969 1098 1 20 . 1 1 29 29 LYS H H 28 7.308 7.308 8.603 -1.295 17969 1099 1 20 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.591 -0.293 17969 1100 1 20 . 1 1 30 30 PHE H H 29 7.708 7.708 7.820 -0.112 17969 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 17969 2 1 1 "Average Difference" HA 29 0.528 0.342 0.409 17969 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17969 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17969 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17969 6 1 1 "Average Difference" HN 28 0.750 0.106 0.756 17969 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17969 8 1 2 "Average Difference" HA 29 0.492 0.310 0.389 17969 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17969 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17969 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17969 12 1 2 "Average Difference" HN 28 0.744 0.073 0.754 17969 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17969 14 1 3 "Average Difference" HA 29 0.465 0.313 0.350 17969 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17969 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17969 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17969 18 1 3 "Average Difference" HN 28 0.726 0.060 0.736 17969 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17969 20 1 4 "Average Difference" HA 29 0.498 0.316 0.392 17969 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17969 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17969 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17969 24 1 4 "Average Difference" HN 28 0.761 0.068 0.772 17969 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17969 26 1 5 "Average Difference" HA 29 0.443 0.273 0.355 17969 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17969 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17969 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17969 30 1 5 "Average Difference" HN 28 0.704 0.011 0.717 17969 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17969 32 1 6 "Average Difference" HA 29 0.491 0.345 0.356 17969 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17969 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17969 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17969 36 1 6 "Average Difference" HN 28 0.731 0.015 0.744 17969 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17969 38 1 7 "Average Difference" HA 29 0.499 0.299 0.407 17969 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17969 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17969 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17969 42 1 7 "Average Difference" HN 28 0.719 0.097 0.726 17969 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17969 44 1 8 "Average Difference" HA 29 0.476 0.284 0.388 17969 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17969 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17969 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17969 48 1 8 "Average Difference" HN 28 0.784 0.003 0.798 17969 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17969 50 1 9 "Average Difference" HA 29 0.465 0.297 0.365 17969 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17969 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17969 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17969 54 1 9 "Average Difference" HN 28 0.744 0.059 0.755 17969 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17969 56 1 10 "Average Difference" HA 29 0.493 0.340 0.363 17969 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17969 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17969 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17969 60 1 10 "Average Difference" HN 28 0.703 0.071 0.713 17969 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17969 62 1 11 "Average Difference" HA 29 0.516 0.333 0.401 17969 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17969 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17969 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17969 66 1 11 "Average Difference" HN 28 0.753 0.098 0.760 17969 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17969 68 1 12 "Average Difference" HA 29 0.480 0.304 0.378 17969 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17969 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17969 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17969 72 1 12 "Average Difference" HN 28 0.725 0.074 0.734 17969 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17969 74 1 13 "Average Difference" HA 29 0.470 0.297 0.370 17969 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17969 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17969 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17969 78 1 13 "Average Difference" HN 28 0.726 0.021 0.739 17969 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17969 80 1 14 "Average Difference" HA 29 0.448 0.290 0.348 17969 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17969 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17969 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17969 84 1 14 "Average Difference" HN 28 0.639 0.017 0.651 17969 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17969 86 1 15 "Average Difference" HA 29 0.462 0.285 0.371 17969 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17969 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17969 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17969 90 1 15 "Average Difference" HN 28 0.782 0.080 0.792 17969 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17969 92 1 16 "Average Difference" HA 29 0.456 0.269 0.375 17969 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17969 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17969 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17969 96 1 16 "Average Difference" HN 28 0.741 0.091 0.749 17969 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17969 98 1 17 "Average Difference" HA 29 0.491 0.308 0.390 17969 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17969 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17969 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17969 102 1 17 "Average Difference" HN 28 0.738 0.068 0.749 17969 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17969 104 1 18 "Average Difference" HA 29 0.485 0.313 0.377 17969 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17969 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17969 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17969 108 1 18 "Average Difference" HN 28 0.756 0.075 0.766 17969 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17969 110 1 19 "Average Difference" HA 29 0.436 0.289 0.333 17969 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17969 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17969 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17969 114 1 19 "Average Difference" HN 28 0.740 0.048 0.752 17969 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17969 116 1 20 "Average Difference" HA 29 0.494 0.315 0.387 17969 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17969 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17969 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17969 120 1 20 "Average Difference" HN 28 0.748 0.071 0.758 17969 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 17969 _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 3 3 PHE HA H 2 4.558 4.558 4.521 0.037 17969 2 1 . 1 1 3 3 PHE H H 2 8.336 8.336 8.644 -0.308 17969 3 1 . 1 1 4 4 GLU HA H 3 4.282 4.282 4.166 0.116 17969 4 1 . 1 1 4 4 GLU H H 3 8.032 8.032 7.921 0.111 17969 5 1 . 1 1 5 5 ASP HA H 4 4.432 4.432 5.289 -0.857 17969 6 1 . 1 1 5 5 ASP H H 4 8.089 8.089 7.904 0.185 17969 7 1 . 1 1 6 6 TRP HA H 5 4.865 4.865 5.035 -0.170 17969 8 1 . 1 1 6 6 TRP H H 5 8.350 8.350 8.406 -0.056 17969 9 1 . 1 1 7 7 LEU HA H 6 4.381 4.381 4.777 -0.396 17969 10 1 . 1 1 7 7 LEU H H 6 8.634 8.634 8.480 0.154 17969 11 1 . 1 1 8 8 CYS HA H 7 4.487 4.487 4.758 -0.271 17969 12 1 . 1 1 8 8 CYS H H 7 8.442 8.442 8.684 -0.242 17969 13 1 . 1 1 9 9 ASN HA H 8 4.375 4.375 4.747 -0.372 17969 14 1 . 1 1 9 9 ASN H H 8 8.949 8.949 8.988 -0.039 17969 15 1 . 1 1 10 10 LYS HA H 9 4.241 4.241 4.486 -0.245 17969 16 1 . 1 1 10 10 LYS H H 9 9.070 9.070 8.091 0.979 17969 17 1 . 1 1 11 11 CYS HA H 10 4.070 4.070 4.909 -0.839 17969 18 1 . 1 1 11 11 CYS H H 10 8.811 8.811 8.484 0.327 17969 19 1 . 1 1 12 12 CYS HA H 11 3.975 3.975 4.206 -0.231 17969 20 1 . 1 1 12 12 CYS H H 11 7.612 7.612 8.041 -0.429 17969 21 1 . 1 1 13 13 LEU HA H 12 3.978 3.978 4.415 -0.437 17969 22 1 . 1 1 13 13 LEU H H 12 7.611 7.611 7.359 0.252 17969 23 1 . 1 1 14 14 ASN HA H 13 4.538 4.538 4.790 -0.252 17969 24 1 . 1 1 14 14 ASN H H 13 8.373 8.373 8.613 -0.240 17969 25 1 . 1 1 15 15 ASN HA H 14 4.195 4.195 4.704 -0.509 17969 26 1 . 1 1 15 15 ASN H H 14 9.053 9.053 8.241 0.812 17969 27 1 . 1 1 16 16 PHE HA H 15 4.333 4.333 4.391 -0.058 17969 28 1 . 1 1 16 16 PHE H H 15 7.646 7.646 8.850 -1.204 17969 29 1 . 1 1 17 17 ARG HA H 16 3.976 3.976 4.427 -0.451 17969 30 1 . 1 1 17 17 ARG H H 16 8.165 8.165 8.608 -0.443 17969 31 1 . 1 1 18 18 LYS HA H 17 4.008 4.008 4.266 -0.258 17969 32 1 . 1 1 18 18 LYS H H 17 5.940 5.940 8.370 -2.430 17969 33 1 . 1 1 19 19 ARG HA H 18 4.176 4.176 4.368 -0.192 17969 34 1 . 1 1 19 19 ARG H H 18 8.261 8.261 7.876 0.385 17969 35 1 . 1 1 20 20 LEU HA H 19 4.139 4.139 4.417 -0.278 17969 36 1 . 1 1 20 20 LEU H H 19 8.696 8.696 8.668 0.028 17969 37 1 . 1 1 21 21 LYS HA H 20 4.960 4.960 4.568 0.392 17969 38 1 . 1 1 21 21 LYS H H 20 7.487 7.487 7.588 -0.101 17969 39 1 . 1 1 22 22 CYS HA H 21 3.933 3.933 4.791 -0.858 17969 40 1 . 1 1 22 22 CYS H H 21 9.615 9.615 8.902 0.713 17969 41 1 . 1 1 23 23 PHE HA H 22 4.011 4.011 4.548 -0.537 17969 42 1 . 1 1 23 23 PHE H H 22 9.007 9.007 9.040 -0.033 17969 43 1 . 1 1 24 24 ARG HA H 23 4.071 4.071 4.354 -0.283 17969 44 1 . 1 1 24 24 ARG H H 23 8.787 8.787 8.033 0.754 17969 45 1 . 1 1 25 25 CYS HA H 24 4.745 4.745 4.956 -0.211 17969 46 1 . 1 1 25 25 CYS H H 24 8.257 8.257 8.186 0.071 17969 47 1 . 1 1 26 26 GLY H H 25 7.512 7.512 8.159 -0.647 17969 48 1 . 1 1 27 27 ALA HA H 26 4.091 4.091 4.321 -0.230 17969 49 1 . 1 1 27 27 ALA H H 26 8.702 8.702 7.460 1.242 17969 50 1 . 1 1 28 28 ASP HA H 27 4.401 4.401 4.621 -0.220 17969 51 1 . 1 1 28 28 ASP H H 27 8.457 8.457 8.610 -0.153 17969 52 1 . 1 1 29 29 LYS HA H 28 2.481 2.481 3.837 -1.356 17969 53 1 . 1 1 29 29 LYS H H 28 7.308 7.308 8.443 -1.135 17969 54 1 . 1 1 30 30 PHE HA H 29 4.298 4.298 4.602 -0.304 17969 55 1 . 1 1 30 30 PHE H H 29 7.708 7.708 7.950 -0.242 17969 stop_ save_