data_17876 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17876 _Entry.PDB_ID 2LI3 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 17876 _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 SER HA H 2 4.507 4.507 4.645 -0.138 17876 2 1 1 . 1 1 2 2 SER H H 2 8.592 8.592 8.467 0.125 17876 3 1 1 . 1 1 3 3 GLY H H 3 8.357 8.357 8.630 -0.273 17876 4 1 1 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.588 0.212 17876 5 1 1 . 1 1 4 4 CYS H H 4 8.340 8.340 7.615 0.725 17876 6 1 1 . 1 1 5 5 MET HA H 5 4.747 4.747 4.879 -0.132 17876 7 1 1 . 1 1 5 5 MET H H 5 8.483 8.483 8.511 -0.028 17876 8 1 1 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.118 -0.115 17876 9 1 1 . 1 1 7 7 GLU H H 7 8.988 8.988 8.899 0.089 17876 10 1 1 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.219 -0.029 17876 11 1 1 . 1 1 8 8 TYR H H 8 7.176 7.176 7.656 -0.480 17876 12 1 1 . 1 1 9 9 CYS HA H 9 4.156 4.156 3.853 0.303 17876 13 1 1 . 1 1 9 9 CYS H H 9 7.900 7.900 7.828 0.072 17876 14 1 1 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.361 -0.339 17876 15 1 1 . 1 1 10 10 ALA H H 10 8.475 8.475 8.142 0.333 17876 16 1 1 . 1 1 11 11 GLY H H 11 7.244 7.244 7.901 -0.657 17876 17 1 1 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.412 -0.293 17876 18 1 1 . 1 1 12 12 GLN H H 12 7.457 7.457 7.488 -0.031 17876 19 1 1 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.562 0.390 17876 20 1 1 . 1 1 13 13 CYS H H 13 7.630 7.630 8.075 -0.445 17876 21 1 1 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.345 0.087 17876 22 1 1 . 1 1 14 14 ARG H H 14 8.725 8.725 8.515 0.210 17876 23 1 1 . 1 1 15 15 GLY H H 15 8.405 8.405 8.714 -0.309 17876 24 1 1 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.567 -0.728 17876 25 1 1 . 1 1 16 16 LYS H H 16 8.243 8.243 8.081 0.162 17876 26 1 1 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.712 0.040 17876 27 1 1 . 1 1 17 17 VAL H H 17 7.990 7.990 8.061 -0.071 17876 28 1 1 . 1 1 18 18 SER HA H 18 4.183 4.183 4.133 0.050 17876 29 1 1 . 1 1 18 18 SER H H 18 8.323 8.323 8.280 0.043 17876 30 1 1 . 1 1 19 19 GLN HA H 19 3.563 3.563 3.969 -0.406 17876 31 1 1 . 1 1 19 19 GLN H H 19 8.281 8.281 8.033 0.248 17876 32 1 1 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.436 -0.045 17876 33 1 1 . 1 1 20 20 ASP H H 20 8.737 8.737 8.121 0.616 17876 34 1 1 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.334 -0.173 17876 35 1 1 . 1 1 21 21 TYR H H 21 7.999 7.999 8.036 -0.037 17876 36 1 1 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.243 0.187 17876 37 1 1 . 1 1 22 22 CYS H H 22 8.545 8.545 7.875 0.670 17876 38 1 1 . 1 1 23 23 LEU HA H 23 4.054 4.054 3.899 0.155 17876 39 1 1 . 1 1 23 23 LEU H H 23 8.217 8.217 8.574 -0.357 17876 40 1 1 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.099 0.219 17876 41 1 1 . 1 1 24 24 LYS H H 24 6.849 6.849 7.915 -1.066 17876 42 1 1 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.830 -0.143 17876 43 1 1 . 1 1 25 25 ASN H H 25 8.082 8.082 8.041 0.041 17876 44 1 1 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.265 0.178 17876 45 1 1 . 1 1 26 26 CYS H H 26 9.940 9.940 8.173 1.767 17876 46 1 1 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.382 0.287 17876 47 1 1 . 1 1 27 27 ARG H H 27 7.238 7.238 7.219 0.019 17876 48 1 1 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.702 0.100 17876 49 1 1 . 1 1 28 28 CYS H H 28 8.568 8.568 8.319 0.249 17876 50 1 1 . 1 1 29 29 ILE HA H 29 3.510 3.510 4.528 -1.018 17876 51 1 1 . 1 1 29 29 ILE H H 29 7.528 7.528 8.863 -1.335 17876 52 1 2 . 1 1 2 2 SER HA H 2 4.507 4.507 4.815 -0.308 17876 53 1 2 . 1 1 2 2 SER H H 2 8.592 8.592 9.117 -0.525 17876 54 1 2 . 1 1 3 3 GLY H H 3 8.357 8.357 7.566 0.791 17876 55 1 2 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.637 0.163 17876 56 1 2 . 1 1 4 4 CYS H H 4 8.340 8.340 8.723 -0.383 17876 57 1 2 . 1 1 5 5 MET HA H 5 4.747 4.747 4.639 0.108 17876 58 1 2 . 1 1 5 5 MET H H 5 8.483 8.483 8.110 0.373 17876 59 1 2 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.106 -0.103 17876 60 1 2 . 1 1 7 7 GLU H H 7 8.988 8.988 9.009 -0.021 17876 61 1 2 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.352 -0.162 17876 62 1 2 . 1 1 8 8 TYR H H 8 7.176 7.176 7.753 -0.577 17876 63 1 2 . 1 1 9 9 CYS HA H 9 4.156 4.156 3.876 0.280 17876 64 1 2 . 1 1 9 9 CYS H H 9 7.900 7.900 8.506 -0.606 17876 65 1 2 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.597 -0.575 17876 66 1 2 . 1 1 10 10 ALA H H 10 8.475 8.475 8.364 0.111 17876 67 1 2 . 1 1 11 11 GLY H H 11 7.244 7.244 7.566 -0.322 17876 68 1 2 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.397 -0.278 17876 69 1 2 . 1 1 12 12 GLN H H 12 7.457 7.457 7.872 -0.415 17876 70 1 2 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.694 0.258 17876 71 1 2 . 1 1 13 13 CYS H H 13 7.630 7.630 7.728 -0.098 17876 72 1 2 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.448 -0.016 17876 73 1 2 . 1 1 14 14 ARG H H 14 8.725 8.725 8.749 -0.024 17876 74 1 2 . 1 1 15 15 GLY H H 15 8.405 8.405 8.472 -0.067 17876 75 1 2 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.576 -0.737 17876 76 1 2 . 1 1 16 16 LYS H H 16 8.243 8.243 8.053 0.190 17876 77 1 2 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.838 -0.086 17876 78 1 2 . 1 1 17 17 VAL H H 17 7.990 7.990 8.318 -0.328 17876 79 1 2 . 1 1 18 18 SER HA H 18 4.183 4.183 4.027 0.156 17876 80 1 2 . 1 1 18 18 SER H H 18 8.323 8.323 8.509 -0.186 17876 81 1 2 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.016 -0.453 17876 82 1 2 . 1 1 19 19 GLN H H 19 8.281 8.281 8.308 -0.027 17876 83 1 2 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.486 -0.095 17876 84 1 2 . 1 1 20 20 ASP H H 20 8.737 8.737 8.084 0.653 17876 85 1 2 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.254 -0.093 17876 86 1 2 . 1 1 21 21 TYR H H 21 7.999 7.999 8.401 -0.402 17876 87 1 2 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.264 0.166 17876 88 1 2 . 1 1 22 22 CYS H H 22 8.545 8.545 8.190 0.355 17876 89 1 2 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.169 -0.115 17876 90 1 2 . 1 1 23 23 LEU H H 23 8.217 8.217 7.328 0.889 17876 91 1 2 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.231 0.087 17876 92 1 2 . 1 1 24 24 LYS H H 24 6.849 6.849 7.534 -0.685 17876 93 1 2 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.796 -0.109 17876 94 1 2 . 1 1 25 25 ASN H H 25 8.082 8.082 8.114 -0.032 17876 95 1 2 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.223 0.220 17876 96 1 2 . 1 1 26 26 CYS H H 26 9.940 9.940 7.807 2.133 17876 97 1 2 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.655 0.014 17876 98 1 2 . 1 1 27 27 ARG H H 27 7.238 7.238 7.419 -0.181 17876 99 1 2 . 1 1 28 28 CYS HA H 28 4.802 4.802 5.063 -0.261 17876 100 1 2 . 1 1 28 28 CYS H H 28 8.568 8.568 8.548 0.020 17876 101 1 2 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.850 -0.340 17876 102 1 2 . 1 1 29 29 ILE H H 29 7.528 7.528 8.597 -1.069 17876 103 1 3 . 1 1 2 2 SER HA H 2 4.507 4.507 4.355 0.152 17876 104 1 3 . 1 1 2 2 SER H H 2 8.592 8.592 8.433 0.159 17876 105 1 3 . 1 1 3 3 GLY H H 3 8.357 8.357 8.781 -0.424 17876 106 1 3 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.938 -0.138 17876 107 1 3 . 1 1 4 4 CYS H H 4 8.340 8.340 7.949 0.391 17876 108 1 3 . 1 1 5 5 MET HA H 5 4.747 4.747 4.509 0.238 17876 109 1 3 . 1 1 5 5 MET H H 5 8.483 8.483 8.137 0.346 17876 110 1 3 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.126 -0.123 17876 111 1 3 . 1 1 7 7 GLU H H 7 8.988 8.988 8.904 0.084 17876 112 1 3 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.528 -0.338 17876 113 1 3 . 1 1 8 8 TYR H H 8 7.176 7.176 7.711 -0.535 17876 114 1 3 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.053 0.103 17876 115 1 3 . 1 1 9 9 CYS H H 9 7.900 7.900 8.638 -0.738 17876 116 1 3 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.608 -0.586 17876 117 1 3 . 1 1 10 10 ALA H H 10 8.475 8.475 8.081 0.394 17876 118 1 3 . 1 1 11 11 GLY H H 11 7.244 7.244 7.644 -0.400 17876 119 1 3 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.343 -0.224 17876 120 1 3 . 1 1 12 12 GLN H H 12 7.457 7.457 7.498 -0.041 17876 121 1 3 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.654 0.298 17876 122 1 3 . 1 1 13 13 CYS H H 13 7.630 7.630 8.054 -0.424 17876 123 1 3 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.519 -0.087 17876 124 1 3 . 1 1 14 14 ARG H H 14 8.725 8.725 8.666 0.059 17876 125 1 3 . 1 1 15 15 GLY H H 15 8.405 8.405 8.629 -0.224 17876 126 1 3 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.504 -0.665 17876 127 1 3 . 1 1 16 16 LYS H H 16 8.243 8.243 8.310 -0.067 17876 128 1 3 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.865 -0.113 17876 129 1 3 . 1 1 17 17 VAL H H 17 7.990 7.990 8.348 -0.358 17876 130 1 3 . 1 1 18 18 SER HA H 18 4.183 4.183 4.013 0.170 17876 131 1 3 . 1 1 18 18 SER H H 18 8.323 8.323 8.672 -0.349 17876 132 1 3 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.127 -0.564 17876 133 1 3 . 1 1 19 19 GLN H H 19 8.281 8.281 8.429 -0.148 17876 134 1 3 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.549 -0.158 17876 135 1 3 . 1 1 20 20 ASP H H 20 8.737 8.737 7.700 1.037 17876 136 1 3 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.134 0.027 17876 137 1 3 . 1 1 21 21 TYR H H 21 7.999 7.999 8.373 -0.374 17876 138 1 3 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.421 0.009 17876 139 1 3 . 1 1 22 22 CYS H H 22 8.545 8.545 8.153 0.392 17876 140 1 3 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.376 -0.322 17876 141 1 3 . 1 1 23 23 LEU H H 23 8.217 8.217 7.678 0.539 17876 142 1 3 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.276 0.042 17876 143 1 3 . 1 1 24 24 LYS H H 24 6.849 6.849 7.420 -0.571 17876 144 1 3 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.750 -0.063 17876 145 1 3 . 1 1 25 25 ASN H H 25 8.082 8.082 7.880 0.202 17876 146 1 3 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.339 0.104 17876 147 1 3 . 1 1 26 26 CYS H H 26 9.940 9.940 7.892 2.048 17876 148 1 3 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.704 -0.035 17876 149 1 3 . 1 1 27 27 ARG H H 27 7.238 7.238 7.896 -0.658 17876 150 1 3 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.620 0.182 17876 151 1 3 . 1 1 28 28 CYS H H 28 8.568 8.568 8.465 0.103 17876 152 1 3 . 1 1 29 29 ILE HA H 29 3.510 3.510 2.332 1.178 17876 153 1 3 . 1 1 29 29 ILE H H 29 7.528 7.528 8.348 -0.820 17876 154 1 4 . 1 1 2 2 SER HA H 2 4.507 4.507 4.691 -0.184 17876 155 1 4 . 1 1 2 2 SER H H 2 8.592 8.592 8.401 0.191 17876 156 1 4 . 1 1 3 3 GLY H H 3 8.357 8.357 7.684 0.673 17876 157 1 4 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.810 -0.010 17876 158 1 4 . 1 1 4 4 CYS H H 4 8.340 8.340 8.247 0.093 17876 159 1 4 . 1 1 5 5 MET HA H 5 4.747 4.747 4.519 0.228 17876 160 1 4 . 1 1 5 5 MET H H 5 8.483 8.483 7.902 0.581 17876 161 1 4 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.177 -0.174 17876 162 1 4 . 1 1 7 7 GLU H H 7 8.988 8.988 8.929 0.059 17876 163 1 4 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.440 -0.250 17876 164 1 4 . 1 1 8 8 TYR H H 8 7.176 7.176 7.711 -0.535 17876 165 1 4 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.220 -0.064 17876 166 1 4 . 1 1 9 9 CYS H H 9 7.900 7.900 8.735 -0.835 17876 167 1 4 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.336 -0.314 17876 168 1 4 . 1 1 10 10 ALA H H 10 8.475 8.475 8.312 0.163 17876 169 1 4 . 1 1 11 11 GLY H H 11 7.244 7.244 7.586 -0.342 17876 170 1 4 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.494 -0.375 17876 171 1 4 . 1 1 12 12 GLN H H 12 7.457 7.457 7.474 -0.017 17876 172 1 4 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.594 0.358 17876 173 1 4 . 1 1 13 13 CYS H H 13 7.630 7.630 8.319 -0.689 17876 174 1 4 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.533 -0.101 17876 175 1 4 . 1 1 14 14 ARG H H 14 8.725 8.725 8.635 0.090 17876 176 1 4 . 1 1 15 15 GLY H H 15 8.405 8.405 8.476 -0.071 17876 177 1 4 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.571 -0.732 17876 178 1 4 . 1 1 16 16 LYS H H 16 8.243 8.243 8.233 0.010 17876 179 1 4 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.794 -0.042 17876 180 1 4 . 1 1 17 17 VAL H H 17 7.990 7.990 8.345 -0.355 17876 181 1 4 . 1 1 18 18 SER HA H 18 4.183 4.183 4.157 0.026 17876 182 1 4 . 1 1 18 18 SER H H 18 8.323 8.323 8.551 -0.228 17876 183 1 4 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.095 -0.532 17876 184 1 4 . 1 1 19 19 GLN H H 19 8.281 8.281 8.307 -0.026 17876 185 1 4 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.394 -0.003 17876 186 1 4 . 1 1 20 20 ASP H H 20 8.737 8.737 8.484 0.253 17876 187 1 4 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.224 -0.063 17876 188 1 4 . 1 1 21 21 TYR H H 21 7.999 7.999 7.899 0.100 17876 189 1 4 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.359 0.071 17876 190 1 4 . 1 1 22 22 CYS H H 22 8.545 8.545 7.838 0.707 17876 191 1 4 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.121 -0.067 17876 192 1 4 . 1 1 23 23 LEU H H 23 8.217 8.217 7.488 0.729 17876 193 1 4 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.356 -0.038 17876 194 1 4 . 1 1 24 24 LYS H H 24 6.849 6.849 7.416 -0.567 17876 195 1 4 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.791 -0.104 17876 196 1 4 . 1 1 25 25 ASN H H 25 8.082 8.082 8.029 0.053 17876 197 1 4 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.287 0.156 17876 198 1 4 . 1 1 26 26 CYS H H 26 9.940 9.940 7.879 2.061 17876 199 1 4 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.677 -0.008 17876 200 1 4 . 1 1 27 27 ARG H H 27 7.238 7.238 7.688 -0.450 17876 201 1 4 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.891 -0.089 17876 202 1 4 . 1 1 28 28 CYS H H 28 8.568 8.568 8.592 -0.024 17876 203 1 4 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.584 -0.074 17876 204 1 4 . 1 1 29 29 ILE H H 29 7.528 7.528 8.449 -0.921 17876 205 1 5 . 1 1 2 2 SER HA H 2 4.507 4.507 4.643 -0.136 17876 206 1 5 . 1 1 2 2 SER H H 2 8.592 8.592 8.219 0.373 17876 207 1 5 . 1 1 3 3 GLY H H 3 8.357 8.357 7.611 0.746 17876 208 1 5 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.507 0.293 17876 209 1 5 . 1 1 4 4 CYS H H 4 8.340 8.340 8.454 -0.114 17876 210 1 5 . 1 1 5 5 MET HA H 5 4.747 4.747 4.899 -0.151 17876 211 1 5 . 1 1 5 5 MET H H 5 8.483 8.483 8.162 0.321 17876 212 1 5 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.159 -0.156 17876 213 1 5 . 1 1 7 7 GLU H H 7 8.988 8.988 8.890 0.098 17876 214 1 5 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.251 -0.061 17876 215 1 5 . 1 1 8 8 TYR H H 8 7.176 7.176 7.704 -0.528 17876 216 1 5 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.137 0.019 17876 217 1 5 . 1 1 9 9 CYS H H 9 7.900 7.900 8.091 -0.191 17876 218 1 5 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.604 -0.582 17876 219 1 5 . 1 1 10 10 ALA H H 10 8.475 8.475 7.908 0.567 17876 220 1 5 . 1 1 11 11 GLY H H 11 7.244 7.244 7.978 -0.734 17876 221 1 5 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.405 -0.286 17876 222 1 5 . 1 1 12 12 GLN H H 12 7.457 7.457 7.500 -0.043 17876 223 1 5 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.704 0.248 17876 224 1 5 . 1 1 13 13 CYS H H 13 7.630 7.630 8.171 -0.541 17876 225 1 5 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.470 -0.038 17876 226 1 5 . 1 1 14 14 ARG H H 14 8.725 8.725 8.567 0.158 17876 227 1 5 . 1 1 15 15 GLY H H 15 8.405 8.405 8.502 -0.097 17876 228 1 5 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.532 -0.693 17876 229 1 5 . 1 1 16 16 LYS H H 16 8.243 8.243 8.136 0.107 17876 230 1 5 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.782 -0.030 17876 231 1 5 . 1 1 17 17 VAL H H 17 7.990 7.990 8.192 -0.202 17876 232 1 5 . 1 1 18 18 SER HA H 18 4.183 4.183 4.231 -0.048 17876 233 1 5 . 1 1 18 18 SER H H 18 8.323 8.323 8.418 -0.095 17876 234 1 5 . 1 1 19 19 GLN HA H 19 3.563 3.563 3.977 -0.414 17876 235 1 5 . 1 1 19 19 GLN H H 19 8.281 8.281 8.447 -0.166 17876 236 1 5 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.379 0.012 17876 237 1 5 . 1 1 20 20 ASP H H 20 8.737 8.737 8.415 0.322 17876 238 1 5 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.208 -0.047 17876 239 1 5 . 1 1 21 21 TYR H H 21 7.999 7.999 7.754 0.245 17876 240 1 5 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.550 -0.120 17876 241 1 5 . 1 1 22 22 CYS H H 22 8.545 8.545 8.149 0.396 17876 242 1 5 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.014 0.040 17876 243 1 5 . 1 1 23 23 LEU H H 23 8.217 8.217 7.942 0.275 17876 244 1 5 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.214 0.104 17876 245 1 5 . 1 1 24 24 LYS H H 24 6.849 6.849 7.567 -0.718 17876 246 1 5 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.800 -0.113 17876 247 1 5 . 1 1 25 25 ASN H H 25 8.082 8.082 8.203 -0.121 17876 248 1 5 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.257 0.186 17876 249 1 5 . 1 1 26 26 CYS H H 26 9.940 9.940 7.859 2.081 17876 250 1 5 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.397 0.272 17876 251 1 5 . 1 1 27 27 ARG H H 27 7.238 7.238 7.869 -0.631 17876 252 1 5 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.775 0.027 17876 253 1 5 . 1 1 28 28 CYS H H 28 8.568 8.568 8.470 0.098 17876 254 1 5 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.036 0.474 17876 255 1 5 . 1 1 29 29 ILE H H 29 7.528 7.528 8.107 -0.579 17876 256 1 6 . 1 1 2 2 SER HA H 2 4.507 4.507 4.345 0.162 17876 257 1 6 . 1 1 2 2 SER H H 2 8.592 8.592 8.629 -0.037 17876 258 1 6 . 1 1 3 3 GLY H H 3 8.357 8.357 7.924 0.433 17876 259 1 6 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.053 0.747 17876 260 1 6 . 1 1 4 4 CYS H H 4 8.340 8.340 8.382 -0.042 17876 261 1 6 . 1 1 5 5 MET HA H 5 4.747 4.747 4.749 -0.002 17876 262 1 6 . 1 1 5 5 MET H H 5 8.483 8.483 8.044 0.439 17876 263 1 6 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.069 -0.066 17876 264 1 6 . 1 1 7 7 GLU H H 7 8.988 8.988 9.033 -0.045 17876 265 1 6 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.250 -0.060 17876 266 1 6 . 1 1 8 8 TYR H H 8 7.176 7.176 7.610 -0.434 17876 267 1 6 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.056 0.100 17876 268 1 6 . 1 1 9 9 CYS H H 9 7.900 7.900 8.407 -0.507 17876 269 1 6 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.722 -0.700 17876 270 1 6 . 1 1 10 10 ALA H H 10 8.475 8.475 8.579 -0.104 17876 271 1 6 . 1 1 11 11 GLY H H 11 7.244 7.244 7.595 -0.351 17876 272 1 6 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.221 -0.102 17876 273 1 6 . 1 1 12 12 GLN H H 12 7.457 7.457 7.575 -0.118 17876 274 1 6 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.658 0.294 17876 275 1 6 . 1 1 13 13 CYS H H 13 7.630 7.630 8.252 -0.622 17876 276 1 6 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.576 -0.144 17876 277 1 6 . 1 1 14 14 ARG H H 14 8.725 8.725 8.666 0.059 17876 278 1 6 . 1 1 15 15 GLY H H 15 8.405 8.405 8.636 -0.231 17876 279 1 6 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.711 -0.872 17876 280 1 6 . 1 1 16 16 LYS H H 16 8.243 8.243 8.326 -0.083 17876 281 1 6 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.788 -0.036 17876 282 1 6 . 1 1 17 17 VAL H H 17 7.990 7.990 8.379 -0.389 17876 283 1 6 . 1 1 18 18 SER HA H 18 4.183 4.183 4.040 0.143 17876 284 1 6 . 1 1 18 18 SER H H 18 8.323 8.323 8.541 -0.218 17876 285 1 6 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.086 -0.523 17876 286 1 6 . 1 1 19 19 GLN H H 19 8.281 8.281 8.272 0.009 17876 287 1 6 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.372 0.019 17876 288 1 6 . 1 1 20 20 ASP H H 20 8.737 8.737 8.399 0.338 17876 289 1 6 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.191 -0.030 17876 290 1 6 . 1 1 21 21 TYR H H 21 7.999 7.999 7.828 0.171 17876 291 1 6 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.510 -0.080 17876 292 1 6 . 1 1 22 22 CYS H H 22 8.545 8.545 7.983 0.562 17876 293 1 6 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.230 -0.176 17876 294 1 6 . 1 1 23 23 LEU H H 23 8.217 8.217 7.847 0.370 17876 295 1 6 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.215 0.103 17876 296 1 6 . 1 1 24 24 LYS H H 24 6.849 6.849 7.459 -0.610 17876 297 1 6 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.943 -0.256 17876 298 1 6 . 1 1 25 25 ASN H H 25 8.082 8.082 8.124 -0.042 17876 299 1 6 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.245 0.198 17876 300 1 6 . 1 1 26 26 CYS H H 26 9.940 9.940 8.184 1.756 17876 301 1 6 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.326 0.343 17876 302 1 6 . 1 1 27 27 ARG H H 27 7.238 7.238 7.959 -0.721 17876 303 1 6 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.745 0.057 17876 304 1 6 . 1 1 28 28 CYS H H 28 8.568 8.568 8.429 0.139 17876 305 1 6 . 1 1 29 29 ILE HA H 29 3.510 3.510 2.983 0.527 17876 306 1 6 . 1 1 29 29 ILE H H 29 7.528 7.528 8.243 -0.715 17876 307 1 7 . 1 1 2 2 SER HA H 2 4.507 4.507 4.010 0.497 17876 308 1 7 . 1 1 2 2 SER H H 2 8.592 8.592 8.190 0.402 17876 309 1 7 . 1 1 3 3 GLY H H 3 8.357 8.357 7.348 1.009 17876 310 1 7 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.620 0.180 17876 311 1 7 . 1 1 4 4 CYS H H 4 8.340 8.340 8.396 -0.056 17876 312 1 7 . 1 1 5 5 MET HA H 5 4.747 4.747 4.672 0.075 17876 313 1 7 . 1 1 5 5 MET H H 5 8.483 8.483 7.510 0.973 17876 314 1 7 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.083 -0.080 17876 315 1 7 . 1 1 7 7 GLU H H 7 8.988 8.988 9.018 -0.030 17876 316 1 7 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.366 -0.176 17876 317 1 7 . 1 1 8 8 TYR H H 8 7.176 7.176 7.797 -0.621 17876 318 1 7 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.053 0.103 17876 319 1 7 . 1 1 9 9 CYS H H 9 7.900 7.900 8.267 -0.367 17876 320 1 7 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.269 -0.247 17876 321 1 7 . 1 1 10 10 ALA H H 10 8.475 8.475 8.209 0.266 17876 322 1 7 . 1 1 11 11 GLY H H 11 7.244 7.244 7.747 -0.503 17876 323 1 7 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.270 -0.151 17876 324 1 7 . 1 1 12 12 GLN H H 12 7.457 7.457 8.103 -0.646 17876 325 1 7 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.631 0.321 17876 326 1 7 . 1 1 13 13 CYS H H 13 7.630 7.630 7.812 -0.182 17876 327 1 7 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.507 -0.075 17876 328 1 7 . 1 1 14 14 ARG H H 14 8.725 8.725 8.700 0.025 17876 329 1 7 . 1 1 15 15 GLY H H 15 8.405 8.405 8.677 -0.272 17876 330 1 7 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.585 -0.746 17876 331 1 7 . 1 1 16 16 LYS H H 16 8.243 8.243 8.345 -0.102 17876 332 1 7 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.810 -0.058 17876 333 1 7 . 1 1 17 17 VAL H H 17 7.990 7.990 8.402 -0.412 17876 334 1 7 . 1 1 18 18 SER HA H 18 4.183 4.183 4.101 0.082 17876 335 1 7 . 1 1 18 18 SER H H 18 8.323 8.323 8.562 -0.239 17876 336 1 7 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.100 -0.537 17876 337 1 7 . 1 1 19 19 GLN H H 19 8.281 8.281 8.239 0.042 17876 338 1 7 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.404 -0.013 17876 339 1 7 . 1 1 20 20 ASP H H 20 8.737 8.737 8.315 0.422 17876 340 1 7 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.172 -0.011 17876 341 1 7 . 1 1 21 21 TYR H H 21 7.999 7.999 8.329 -0.330 17876 342 1 7 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.520 -0.090 17876 343 1 7 . 1 1 22 22 CYS H H 22 8.545 8.545 7.915 0.630 17876 344 1 7 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.029 0.025 17876 345 1 7 . 1 1 23 23 LEU H H 23 8.217 8.217 7.977 0.240 17876 346 1 7 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.284 0.034 17876 347 1 7 . 1 1 24 24 LYS H H 24 6.849 6.849 7.612 -0.763 17876 348 1 7 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.861 -0.174 17876 349 1 7 . 1 1 25 25 ASN H H 25 8.082 8.082 8.184 -0.102 17876 350 1 7 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.340 0.103 17876 351 1 7 . 1 1 26 26 CYS H H 26 9.940 9.940 7.959 1.981 17876 352 1 7 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.620 0.049 17876 353 1 7 . 1 1 27 27 ARG H H 27 7.238 7.238 7.687 -0.449 17876 354 1 7 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.988 -0.186 17876 355 1 7 . 1 1 28 28 CYS H H 28 8.568 8.568 8.527 0.041 17876 356 1 7 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.574 -0.064 17876 357 1 7 . 1 1 29 29 ILE H H 29 7.528 7.528 8.352 -0.824 17876 358 1 8 . 1 1 2 2 SER HA H 2 4.507 4.507 3.821 0.686 17876 359 1 8 . 1 1 2 2 SER H H 2 8.592 8.592 7.990 0.602 17876 360 1 8 . 1 1 3 3 GLY H H 3 8.357 8.357 7.320 1.037 17876 361 1 8 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.502 0.298 17876 362 1 8 . 1 1 4 4 CYS H H 4 8.340 8.340 8.457 -0.117 17876 363 1 8 . 1 1 5 5 MET HA H 5 4.747 4.747 4.886 -0.139 17876 364 1 8 . 1 1 5 5 MET H H 5 8.483 8.483 8.213 0.270 17876 365 1 8 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.156 -0.153 17876 366 1 8 . 1 1 7 7 GLU H H 7 8.988 8.988 8.916 0.072 17876 367 1 8 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.263 -0.073 17876 368 1 8 . 1 1 8 8 TYR H H 8 7.176 7.176 7.634 -0.458 17876 369 1 8 . 1 1 9 9 CYS HA H 9 4.156 4.156 3.960 0.196 17876 370 1 8 . 1 1 9 9 CYS H H 9 7.900 7.900 8.216 -0.316 17876 371 1 8 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.573 -0.551 17876 372 1 8 . 1 1 10 10 ALA H H 10 8.475 8.475 8.364 0.111 17876 373 1 8 . 1 1 11 11 GLY H H 11 7.244 7.244 7.967 -0.723 17876 374 1 8 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.415 -0.296 17876 375 1 8 . 1 1 12 12 GLN H H 12 7.457 7.457 7.595 -0.138 17876 376 1 8 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.584 0.368 17876 377 1 8 . 1 1 13 13 CYS H H 13 7.630 7.630 8.122 -0.492 17876 378 1 8 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.518 -0.086 17876 379 1 8 . 1 1 14 14 ARG H H 14 8.725 8.725 8.628 0.097 17876 380 1 8 . 1 1 15 15 GLY H H 15 8.405 8.405 8.492 -0.088 17876 381 1 8 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.504 -0.665 17876 382 1 8 . 1 1 16 16 LYS H H 16 8.243 8.243 8.149 0.094 17876 383 1 8 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.814 -0.062 17876 384 1 8 . 1 1 17 17 VAL H H 17 7.990 7.990 8.366 -0.376 17876 385 1 8 . 1 1 18 18 SER HA H 18 4.183 4.183 4.146 0.037 17876 386 1 8 . 1 1 18 18 SER H H 18 8.323 8.323 8.511 -0.188 17876 387 1 8 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.083 -0.520 17876 388 1 8 . 1 1 19 19 GLN H H 19 8.281 8.281 8.263 0.018 17876 389 1 8 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.435 -0.044 17876 390 1 8 . 1 1 20 20 ASP H H 20 8.737 8.737 8.547 0.190 17876 391 1 8 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.258 -0.097 17876 392 1 8 . 1 1 21 21 TYR H H 21 7.999 7.999 8.024 -0.025 17876 393 1 8 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.587 -0.157 17876 394 1 8 . 1 1 22 22 CYS H H 22 8.545 8.545 7.780 0.765 17876 395 1 8 . 1 1 23 23 LEU HA H 23 4.054 4.054 3.981 0.073 17876 396 1 8 . 1 1 23 23 LEU H H 23 8.217 8.217 8.519 -0.302 17876 397 1 8 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.247 0.071 17876 398 1 8 . 1 1 24 24 LYS H H 24 6.849 6.849 7.913 -1.064 17876 399 1 8 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.982 -0.295 17876 400 1 8 . 1 1 25 25 ASN H H 25 8.082 8.082 8.193 -0.111 17876 401 1 8 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.348 0.095 17876 402 1 8 . 1 1 26 26 CYS H H 26 9.940 9.940 8.080 1.860 17876 403 1 8 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.696 -0.027 17876 404 1 8 . 1 1 27 27 ARG H H 27 7.238 7.238 7.753 -0.515 17876 405 1 8 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.872 -0.070 17876 406 1 8 . 1 1 28 28 CYS H H 28 8.568 8.568 8.291 0.277 17876 407 1 8 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.307 0.203 17876 408 1 8 . 1 1 29 29 ILE H H 29 7.528 7.528 8.331 -0.803 17876 409 1 9 . 1 1 2 2 SER HA H 2 4.507 4.507 4.667 -0.160 17876 410 1 9 . 1 1 2 2 SER H H 2 8.592 8.592 9.008 -0.416 17876 411 1 9 . 1 1 3 3 GLY H H 3 8.357 8.357 7.769 0.588 17876 412 1 9 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.635 0.165 17876 413 1 9 . 1 1 4 4 CYS H H 4 8.340 8.340 8.356 -0.016 17876 414 1 9 . 1 1 5 5 MET HA H 5 4.747 4.747 4.641 0.106 17876 415 1 9 . 1 1 5 5 MET H H 5 8.483 8.483 7.732 0.751 17876 416 1 9 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.222 -0.219 17876 417 1 9 . 1 1 7 7 GLU H H 7 8.988 8.988 8.908 0.080 17876 418 1 9 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.376 -0.186 17876 419 1 9 . 1 1 8 8 TYR H H 8 7.176 7.176 7.669 -0.493 17876 420 1 9 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.125 0.031 17876 421 1 9 . 1 1 9 9 CYS H H 9 7.900 7.900 8.830 -0.930 17876 422 1 9 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.800 -0.778 17876 423 1 9 . 1 1 10 10 ALA H H 10 8.475 8.475 7.758 0.717 17876 424 1 9 . 1 1 11 11 GLY H H 11 7.244 7.244 7.330 -0.086 17876 425 1 9 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.142 -0.023 17876 426 1 9 . 1 1 12 12 GLN H H 12 7.457 7.457 7.623 -0.166 17876 427 1 9 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.702 0.250 17876 428 1 9 . 1 1 13 13 CYS H H 13 7.630 7.630 8.152 -0.522 17876 429 1 9 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.527 -0.095 17876 430 1 9 . 1 1 14 14 ARG H H 14 8.725 8.725 8.696 0.029 17876 431 1 9 . 1 1 15 15 GLY H H 15 8.405 8.405 8.037 0.368 17876 432 1 9 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.641 -0.802 17876 433 1 9 . 1 1 16 16 LYS H H 16 8.243 8.243 8.058 0.185 17876 434 1 9 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.922 -0.170 17876 435 1 9 . 1 1 17 17 VAL H H 17 7.990 7.990 8.284 -0.294 17876 436 1 9 . 1 1 18 18 SER HA H 18 4.183 4.183 4.150 0.033 17876 437 1 9 . 1 1 18 18 SER H H 18 8.323 8.323 8.472 -0.149 17876 438 1 9 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.106 -0.543 17876 439 1 9 . 1 1 19 19 GLN H H 19 8.281 8.281 8.246 0.035 17876 440 1 9 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.389 0.002 17876 441 1 9 . 1 1 20 20 ASP H H 20 8.737 8.737 8.137 0.600 17876 442 1 9 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.380 -0.219 17876 443 1 9 . 1 1 21 21 TYR H H 21 7.999 7.999 8.216 -0.217 17876 444 1 9 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.361 0.069 17876 445 1 9 . 1 1 22 22 CYS H H 22 8.545 8.545 7.836 0.709 17876 446 1 9 . 1 1 23 23 LEU HA H 23 4.054 4.054 3.990 0.064 17876 447 1 9 . 1 1 23 23 LEU H H 23 8.217 8.217 8.244 -0.027 17876 448 1 9 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.329 -0.011 17876 449 1 9 . 1 1 24 24 LYS H H 24 6.849 6.849 7.804 -0.955 17876 450 1 9 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.918 -0.231 17876 451 1 9 . 1 1 25 25 ASN H H 25 8.082 8.082 8.223 -0.141 17876 452 1 9 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.163 0.280 17876 453 1 9 . 1 1 26 26 CYS H H 26 9.940 9.940 7.840 2.100 17876 454 1 9 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.388 0.281 17876 455 1 9 . 1 1 27 27 ARG H H 27 7.238 7.238 7.264 -0.026 17876 456 1 9 . 1 1 28 28 CYS HA H 28 4.802 4.802 5.062 -0.260 17876 457 1 9 . 1 1 28 28 CYS H H 28 8.568 8.568 8.291 0.277 17876 458 1 9 . 1 1 29 29 ILE HA H 29 3.510 3.510 4.434 -0.924 17876 459 1 9 . 1 1 29 29 ILE H H 29 7.528 7.528 8.700 -1.172 17876 460 1 10 . 1 1 2 2 SER HA H 2 4.507 4.507 4.403 0.104 17876 461 1 10 . 1 1 2 2 SER H H 2 8.592 8.592 8.109 0.483 17876 462 1 10 . 1 1 3 3 GLY H H 3 8.357 8.357 6.449 1.908 17876 463 1 10 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.435 0.365 17876 464 1 10 . 1 1 4 4 CYS H H 4 8.340 8.340 8.423 -0.083 17876 465 1 10 . 1 1 5 5 MET HA H 5 4.747 4.747 4.847 -0.100 17876 466 1 10 . 1 1 5 5 MET H H 5 8.483 8.483 8.024 0.459 17876 467 1 10 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.066 -0.063 17876 468 1 10 . 1 1 7 7 GLU H H 7 8.988 8.988 8.862 0.126 17876 469 1 10 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.383 -0.193 17876 470 1 10 . 1 1 8 8 TYR H H 8 7.176 7.176 7.607 -0.431 17876 471 1 10 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.353 -0.197 17876 472 1 10 . 1 1 9 9 CYS H H 9 7.900 7.900 8.371 -0.471 17876 473 1 10 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.883 -0.862 17876 474 1 10 . 1 1 10 10 ALA H H 10 8.475 8.475 7.924 0.551 17876 475 1 10 . 1 1 11 11 GLY H H 11 7.244 7.244 7.780 -0.536 17876 476 1 10 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.434 -0.315 17876 477 1 10 . 1 1 12 12 GLN H H 12 7.457 7.457 8.333 -0.876 17876 478 1 10 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.740 0.212 17876 479 1 10 . 1 1 13 13 CYS H H 13 7.630 7.630 8.016 -0.386 17876 480 1 10 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.658 -0.226 17876 481 1 10 . 1 1 14 14 ARG H H 14 8.725 8.725 8.741 -0.016 17876 482 1 10 . 1 1 15 15 GLY H H 15 8.405 8.405 8.156 0.249 17876 483 1 10 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.580 -0.741 17876 484 1 10 . 1 1 16 16 LYS H H 16 8.243 8.243 8.061 0.182 17876 485 1 10 . 1 1 17 17 VAL HA H 17 3.752 3.752 4.023 -0.271 17876 486 1 10 . 1 1 17 17 VAL H H 17 7.990 7.990 8.110 -0.120 17876 487 1 10 . 1 1 18 18 SER HA H 18 4.183 4.183 4.177 0.006 17876 488 1 10 . 1 1 18 18 SER H H 18 8.323 8.323 8.464 -0.141 17876 489 1 10 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.008 -0.445 17876 490 1 10 . 1 1 19 19 GLN H H 19 8.281 8.281 8.517 -0.236 17876 491 1 10 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.410 -0.019 17876 492 1 10 . 1 1 20 20 ASP H H 20 8.737 8.737 8.624 0.113 17876 493 1 10 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.125 0.036 17876 494 1 10 . 1 1 21 21 TYR H H 21 7.999 7.999 7.736 0.263 17876 495 1 10 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.476 -0.046 17876 496 1 10 . 1 1 22 22 CYS H H 22 8.545 8.545 8.031 0.514 17876 497 1 10 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.092 -0.038 17876 498 1 10 . 1 1 23 23 LEU H H 23 8.217 8.217 7.689 0.528 17876 499 1 10 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.228 0.090 17876 500 1 10 . 1 1 24 24 LYS H H 24 6.849 6.849 7.462 -0.613 17876 501 1 10 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.795 -0.108 17876 502 1 10 . 1 1 25 25 ASN H H 25 8.082 8.082 8.207 -0.125 17876 503 1 10 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.304 0.139 17876 504 1 10 . 1 1 26 26 CYS H H 26 9.940 9.940 7.935 2.005 17876 505 1 10 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.653 0.016 17876 506 1 10 . 1 1 27 27 ARG H H 27 7.238 7.238 7.743 -0.505 17876 507 1 10 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.663 0.139 17876 508 1 10 . 1 1 28 28 CYS H H 28 8.568 8.568 8.815 -0.247 17876 509 1 10 . 1 1 29 29 ILE HA H 29 3.510 3.510 2.726 0.784 17876 510 1 10 . 1 1 29 29 ILE H H 29 7.528 7.528 8.322 -0.794 17876 511 1 11 . 1 1 2 2 SER HA H 2 4.507 4.507 4.364 0.143 17876 512 1 11 . 1 1 2 2 SER H H 2 8.592 8.592 8.817 -0.225 17876 513 1 11 . 1 1 3 3 GLY H H 3 8.357 8.357 7.407 0.950 17876 514 1 11 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.557 0.243 17876 515 1 11 . 1 1 4 4 CYS H H 4 8.340 8.340 8.257 0.083 17876 516 1 11 . 1 1 5 5 MET HA H 5 4.747 4.747 4.853 -0.106 17876 517 1 11 . 1 1 5 5 MET H H 5 8.483 8.483 7.595 0.888 17876 518 1 11 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.167 -0.164 17876 519 1 11 . 1 1 7 7 GLU H H 7 8.988 8.988 8.932 0.056 17876 520 1 11 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.378 -0.188 17876 521 1 11 . 1 1 8 8 TYR H H 8 7.176 7.176 7.573 -0.397 17876 522 1 11 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.257 -0.101 17876 523 1 11 . 1 1 9 9 CYS H H 9 7.900 7.900 8.775 -0.875 17876 524 1 11 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.598 -0.576 17876 525 1 11 . 1 1 10 10 ALA H H 10 8.475 8.475 7.997 0.478 17876 526 1 11 . 1 1 11 11 GLY H H 11 7.244 7.244 7.701 -0.457 17876 527 1 11 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.438 -0.319 17876 528 1 11 . 1 1 12 12 GLN H H 12 7.457 7.457 7.781 -0.324 17876 529 1 11 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.751 0.201 17876 530 1 11 . 1 1 13 13 CYS H H 13 7.630 7.630 8.151 -0.521 17876 531 1 11 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.451 -0.019 17876 532 1 11 . 1 1 14 14 ARG H H 14 8.725 8.725 8.830 -0.105 17876 533 1 11 . 1 1 15 15 GLY H H 15 8.405 8.405 8.407 -0.002 17876 534 1 11 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.570 -0.731 17876 535 1 11 . 1 1 16 16 LYS H H 16 8.243 8.243 8.175 0.068 17876 536 1 11 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.738 0.014 17876 537 1 11 . 1 1 17 17 VAL H H 17 7.990 7.990 8.420 -0.430 17876 538 1 11 . 1 1 18 18 SER HA H 18 4.183 4.183 4.119 0.064 17876 539 1 11 . 1 1 18 18 SER H H 18 8.323 8.323 8.544 -0.221 17876 540 1 11 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.117 -0.554 17876 541 1 11 . 1 1 19 19 GLN H H 19 8.281 8.281 8.302 -0.021 17876 542 1 11 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.391 0.000 17876 543 1 11 . 1 1 20 20 ASP H H 20 8.737 8.737 8.586 0.151 17876 544 1 11 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.224 -0.063 17876 545 1 11 . 1 1 21 21 TYR H H 21 7.999 7.999 7.915 0.084 17876 546 1 11 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.412 0.018 17876 547 1 11 . 1 1 22 22 CYS H H 22 8.545 8.545 7.924 0.621 17876 548 1 11 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.028 0.026 17876 549 1 11 . 1 1 23 23 LEU H H 23 8.217 8.217 7.745 0.472 17876 550 1 11 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.291 0.027 17876 551 1 11 . 1 1 24 24 LYS H H 24 6.849 6.849 7.577 -0.728 17876 552 1 11 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.742 -0.055 17876 553 1 11 . 1 1 25 25 ASN H H 25 8.082 8.082 8.073 0.009 17876 554 1 11 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.221 0.222 17876 555 1 11 . 1 1 26 26 CYS H H 26 9.940 9.940 8.008 1.932 17876 556 1 11 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.600 0.069 17876 557 1 11 . 1 1 27 27 ARG H H 27 7.238 7.238 7.548 -0.310 17876 558 1 11 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.840 -0.038 17876 559 1 11 . 1 1 28 28 CYS H H 28 8.568 8.568 8.509 0.059 17876 560 1 11 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.495 0.015 17876 561 1 11 . 1 1 29 29 ILE H H 29 7.528 7.528 8.443 -0.915 17876 562 1 12 . 1 1 2 2 SER HA H 2 4.507 4.507 4.348 0.159 17876 563 1 12 . 1 1 2 2 SER H H 2 8.592 8.592 8.271 0.321 17876 564 1 12 . 1 1 3 3 GLY H H 3 8.357 8.357 6.605 1.752 17876 565 1 12 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.694 0.106 17876 566 1 12 . 1 1 4 4 CYS H H 4 8.340 8.340 8.398 -0.058 17876 567 1 12 . 1 1 5 5 MET HA H 5 4.747 4.747 4.915 -0.168 17876 568 1 12 . 1 1 5 5 MET H H 5 8.483 8.483 7.542 0.941 17876 569 1 12 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.127 -0.124 17876 570 1 12 . 1 1 7 7 GLU H H 7 8.988 8.988 9.017 -0.029 17876 571 1 12 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.279 -0.089 17876 572 1 12 . 1 1 8 8 TYR H H 8 7.176 7.176 7.779 -0.604 17876 573 1 12 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.183 -0.027 17876 574 1 12 . 1 1 9 9 CYS H H 9 7.900 7.900 8.530 -0.630 17876 575 1 12 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.615 -0.593 17876 576 1 12 . 1 1 10 10 ALA H H 10 8.475 8.475 8.296 0.179 17876 577 1 12 . 1 1 11 11 GLY H H 11 7.244 7.244 7.608 -0.364 17876 578 1 12 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.506 -0.387 17876 579 1 12 . 1 1 12 12 GLN H H 12 7.457 7.457 7.670 -0.213 17876 580 1 12 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.627 0.325 17876 581 1 12 . 1 1 13 13 CYS H H 13 7.630 7.630 7.828 -0.198 17876 582 1 12 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.588 -0.156 17876 583 1 12 . 1 1 14 14 ARG H H 14 8.725 8.725 8.697 0.028 17876 584 1 12 . 1 1 15 15 GLY H H 15 8.405 8.405 8.335 0.070 17876 585 1 12 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.567 -0.728 17876 586 1 12 . 1 1 16 16 LYS H H 16 8.243 8.243 8.119 0.124 17876 587 1 12 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.838 -0.086 17876 588 1 12 . 1 1 17 17 VAL H H 17 7.990 7.990 8.195 -0.205 17876 589 1 12 . 1 1 18 18 SER HA H 18 4.183 4.183 4.084 0.099 17876 590 1 12 . 1 1 18 18 SER H H 18 8.323 8.323 8.638 -0.315 17876 591 1 12 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.048 -0.485 17876 592 1 12 . 1 1 19 19 GLN H H 19 8.281 8.281 8.298 -0.017 17876 593 1 12 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.421 -0.030 17876 594 1 12 . 1 1 20 20 ASP H H 20 8.737 8.737 8.340 0.397 17876 595 1 12 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.224 -0.063 17876 596 1 12 . 1 1 21 21 TYR H H 21 7.999 7.999 7.911 0.088 17876 597 1 12 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.500 -0.070 17876 598 1 12 . 1 1 22 22 CYS H H 22 8.545 8.545 7.878 0.667 17876 599 1 12 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.103 -0.049 17876 600 1 12 . 1 1 23 23 LEU H H 23 8.217 8.217 7.700 0.517 17876 601 1 12 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.306 0.012 17876 602 1 12 . 1 1 24 24 LYS H H 24 6.849 6.849 7.592 -0.743 17876 603 1 12 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.870 -0.183 17876 604 1 12 . 1 1 25 25 ASN H H 25 8.082 8.082 7.906 0.176 17876 605 1 12 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.164 0.279 17876 606 1 12 . 1 1 26 26 CYS H H 26 9.940 9.940 8.038 1.902 17876 607 1 12 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.376 0.293 17876 608 1 12 . 1 1 27 27 ARG H H 27 7.238 7.238 8.097 -0.859 17876 609 1 12 . 1 1 28 28 CYS HA H 28 4.802 4.802 5.011 -0.209 17876 610 1 12 . 1 1 28 28 CYS H H 28 8.568 8.568 8.738 -0.170 17876 611 1 12 . 1 1 29 29 ILE HA H 29 3.510 3.510 2.313 1.197 17876 612 1 12 . 1 1 29 29 ILE H H 29 7.528 7.528 8.829 -1.301 17876 613 1 13 . 1 1 2 2 SER HA H 2 4.507 4.507 4.717 -0.210 17876 614 1 13 . 1 1 2 2 SER H H 2 8.592 8.592 8.418 0.174 17876 615 1 13 . 1 1 3 3 GLY H H 3 8.357 8.357 8.481 -0.124 17876 616 1 13 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.053 0.747 17876 617 1 13 . 1 1 4 4 CYS H H 4 8.340 8.340 8.379 -0.039 17876 618 1 13 . 1 1 5 5 MET HA H 5 4.747 4.747 4.672 0.075 17876 619 1 13 . 1 1 5 5 MET H H 5 8.483 8.483 7.799 0.684 17876 620 1 13 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.127 -0.124 17876 621 1 13 . 1 1 7 7 GLU H H 7 8.988 8.988 8.829 0.159 17876 622 1 13 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.266 -0.076 17876 623 1 13 . 1 1 8 8 TYR H H 8 7.176 7.176 7.714 -0.538 17876 624 1 13 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.063 0.093 17876 625 1 13 . 1 1 9 9 CYS H H 9 7.900 7.900 8.500 -0.600 17876 626 1 13 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.746 -0.724 17876 627 1 13 . 1 1 10 10 ALA H H 10 8.475 8.475 8.689 -0.214 17876 628 1 13 . 1 1 11 11 GLY H H 11 7.244 7.244 7.266 -0.022 17876 629 1 13 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.167 -0.048 17876 630 1 13 . 1 1 12 12 GLN H H 12 7.457 7.457 8.221 -0.764 17876 631 1 13 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.654 0.298 17876 632 1 13 . 1 1 13 13 CYS H H 13 7.630 7.630 7.933 -0.303 17876 633 1 13 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.371 0.061 17876 634 1 13 . 1 1 14 14 ARG H H 14 8.725 8.725 8.612 0.113 17876 635 1 13 . 1 1 15 15 GLY H H 15 8.405 8.405 8.400 0.005 17876 636 1 13 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.449 -0.611 17876 637 1 13 . 1 1 16 16 LYS H H 16 8.243 8.243 8.209 0.034 17876 638 1 13 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.859 -0.107 17876 639 1 13 . 1 1 17 17 VAL H H 17 7.990 7.990 8.128 -0.138 17876 640 1 13 . 1 1 18 18 SER HA H 18 4.183 4.183 4.116 0.067 17876 641 1 13 . 1 1 18 18 SER H H 18 8.323 8.323 8.550 -0.227 17876 642 1 13 . 1 1 19 19 GLN HA H 19 3.563 3.563 3.978 -0.415 17876 643 1 13 . 1 1 19 19 GLN H H 19 8.281 8.281 8.536 -0.255 17876 644 1 13 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.397 -0.006 17876 645 1 13 . 1 1 20 20 ASP H H 20 8.737 8.737 7.859 0.878 17876 646 1 13 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.166 -0.005 17876 647 1 13 . 1 1 21 21 TYR H H 21 7.999 7.999 7.822 0.177 17876 648 1 13 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.497 -0.067 17876 649 1 13 . 1 1 22 22 CYS H H 22 8.545 8.545 8.034 0.511 17876 650 1 13 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.128 -0.074 17876 651 1 13 . 1 1 23 23 LEU H H 23 8.217 8.217 7.517 0.700 17876 652 1 13 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.314 0.004 17876 653 1 13 . 1 1 24 24 LYS H H 24 6.849 6.849 7.450 -0.601 17876 654 1 13 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.697 -0.010 17876 655 1 13 . 1 1 25 25 ASN H H 25 8.082 8.082 8.271 -0.189 17876 656 1 13 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.266 0.177 17876 657 1 13 . 1 1 26 26 CYS H H 26 9.940 9.940 7.884 2.056 17876 658 1 13 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.720 -0.051 17876 659 1 13 . 1 1 27 27 ARG H H 27 7.238 7.238 7.735 -0.497 17876 660 1 13 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.577 0.225 17876 661 1 13 . 1 1 28 28 CYS H H 28 8.568 8.568 8.671 -0.103 17876 662 1 13 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.125 0.385 17876 663 1 13 . 1 1 29 29 ILE H H 29 7.528 7.528 8.224 -0.696 17876 664 1 14 . 1 1 2 2 SER HA H 2 4.507 4.507 4.470 0.037 17876 665 1 14 . 1 1 2 2 SER H H 2 8.592 8.592 8.581 0.011 17876 666 1 14 . 1 1 3 3 GLY H H 3 8.357 8.357 8.107 0.250 17876 667 1 14 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.897 -0.097 17876 668 1 14 . 1 1 4 4 CYS H H 4 8.340 8.340 8.730 -0.390 17876 669 1 14 . 1 1 5 5 MET HA H 5 4.747 4.747 4.704 0.043 17876 670 1 14 . 1 1 5 5 MET H H 5 8.483 8.483 8.199 0.284 17876 671 1 14 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.181 -0.178 17876 672 1 14 . 1 1 7 7 GLU H H 7 8.988 8.988 8.849 0.139 17876 673 1 14 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.500 -0.310 17876 674 1 14 . 1 1 8 8 TYR H H 8 7.176 7.176 7.639 -0.463 17876 675 1 14 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.016 0.140 17876 676 1 14 . 1 1 9 9 CYS H H 9 7.900 7.900 8.769 -0.869 17876 677 1 14 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.687 -0.665 17876 678 1 14 . 1 1 10 10 ALA H H 10 8.475 8.475 8.058 0.417 17876 679 1 14 . 1 1 11 11 GLY H H 11 7.244 7.244 7.440 -0.196 17876 680 1 14 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.127 -0.008 17876 681 1 14 . 1 1 12 12 GLN H H 12 7.457 7.457 7.766 -0.309 17876 682 1 14 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.644 0.308 17876 683 1 14 . 1 1 13 13 CYS H H 13 7.630 7.630 8.082 -0.452 17876 684 1 14 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.557 -0.125 17876 685 1 14 . 1 1 14 14 ARG H H 14 8.725 8.725 8.650 0.075 17876 686 1 14 . 1 1 15 15 GLY H H 15 8.405 8.405 8.507 -0.102 17876 687 1 14 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.570 -0.731 17876 688 1 14 . 1 1 16 16 LYS H H 16 8.243 8.243 8.229 0.014 17876 689 1 14 . 1 1 17 17 VAL HA H 17 3.752 3.752 4.083 -0.331 17876 690 1 14 . 1 1 17 17 VAL H H 17 7.990 7.990 8.298 -0.308 17876 691 1 14 . 1 1 18 18 SER HA H 18 4.183 4.183 4.158 0.025 17876 692 1 14 . 1 1 18 18 SER H H 18 8.323 8.323 8.524 -0.201 17876 693 1 14 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.118 -0.555 17876 694 1 14 . 1 1 19 19 GLN H H 19 8.281 8.281 8.349 -0.068 17876 695 1 14 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.383 0.008 17876 696 1 14 . 1 1 20 20 ASP H H 20 8.737 8.737 8.652 0.085 17876 697 1 14 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.241 -0.080 17876 698 1 14 . 1 1 21 21 TYR H H 21 7.999 7.999 7.854 0.145 17876 699 1 14 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.385 0.045 17876 700 1 14 . 1 1 22 22 CYS H H 22 8.545 8.545 7.858 0.687 17876 701 1 14 . 1 1 23 23 LEU HA H 23 4.054 4.054 3.983 0.071 17876 702 1 14 . 1 1 23 23 LEU H H 23 8.217 8.217 8.227 -0.010 17876 703 1 14 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.180 0.138 17876 704 1 14 . 1 1 24 24 LYS H H 24 6.849 6.849 7.933 -1.084 17876 705 1 14 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.715 -0.028 17876 706 1 14 . 1 1 25 25 ASN H H 25 8.082 8.082 7.940 0.142 17876 707 1 14 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.301 0.142 17876 708 1 14 . 1 1 26 26 CYS H H 26 9.940 9.940 7.863 2.077 17876 709 1 14 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.633 0.036 17876 710 1 14 . 1 1 27 27 ARG H H 27 7.238 7.238 7.501 -0.263 17876 711 1 14 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.884 -0.082 17876 712 1 14 . 1 1 28 28 CYS H H 28 8.568 8.568 8.498 0.070 17876 713 1 14 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.513 -0.003 17876 714 1 14 . 1 1 29 29 ILE H H 29 7.528 7.528 8.588 -1.060 17876 715 1 15 . 1 1 2 2 SER HA H 2 4.507 4.507 4.194 0.313 17876 716 1 15 . 1 1 2 2 SER H H 2 8.592 8.592 8.118 0.474 17876 717 1 15 . 1 1 3 3 GLY H H 3 8.357 8.357 7.245 1.112 17876 718 1 15 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.620 0.180 17876 719 1 15 . 1 1 4 4 CYS H H 4 8.340 8.340 8.438 -0.098 17876 720 1 15 . 1 1 5 5 MET HA H 5 4.747 4.747 4.955 -0.208 17876 721 1 15 . 1 1 5 5 MET H H 5 8.483 8.483 7.774 0.709 17876 722 1 15 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.095 -0.092 17876 723 1 15 . 1 1 7 7 GLU H H 7 8.988 8.988 8.918 0.071 17876 724 1 15 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.392 -0.202 17876 725 1 15 . 1 1 8 8 TYR H H 8 7.176 7.176 7.700 -0.524 17876 726 1 15 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.160 -0.004 17876 727 1 15 . 1 1 9 9 CYS H H 9 7.900 7.900 8.706 -0.806 17876 728 1 15 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.573 -0.551 17876 729 1 15 . 1 1 10 10 ALA H H 10 8.475 8.475 8.210 0.265 17876 730 1 15 . 1 1 11 11 GLY H H 11 7.244 7.244 7.653 -0.409 17876 731 1 15 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.145 -0.026 17876 732 1 15 . 1 1 12 12 GLN H H 12 7.457 7.457 8.146 -0.689 17876 733 1 15 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.629 0.323 17876 734 1 15 . 1 1 13 13 CYS H H 13 7.630 7.630 8.138 -0.508 17876 735 1 15 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.525 -0.093 17876 736 1 15 . 1 1 14 14 ARG H H 14 8.725 8.725 8.809 -0.084 17876 737 1 15 . 1 1 15 15 GLY H H 15 8.405 8.405 8.358 0.047 17876 738 1 15 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.120 -0.281 17876 739 1 15 . 1 1 16 16 LYS H H 16 8.243 8.243 8.403 -0.160 17876 740 1 15 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.862 -0.110 17876 741 1 15 . 1 1 17 17 VAL H H 17 7.990 7.990 8.144 -0.154 17876 742 1 15 . 1 1 18 18 SER HA H 18 4.183 4.183 4.098 0.085 17876 743 1 15 . 1 1 18 18 SER H H 18 8.323 8.323 8.262 0.061 17876 744 1 15 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.019 -0.456 17876 745 1 15 . 1 1 19 19 GLN H H 19 8.281 8.281 7.846 0.435 17876 746 1 15 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.437 -0.046 17876 747 1 15 . 1 1 20 20 ASP H H 20 8.737 8.737 8.203 0.534 17876 748 1 15 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.213 -0.052 17876 749 1 15 . 1 1 21 21 TYR H H 21 7.999 7.999 7.826 0.173 17876 750 1 15 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.409 0.021 17876 751 1 15 . 1 1 22 22 CYS H H 22 8.545 8.545 7.951 0.594 17876 752 1 15 . 1 1 23 23 LEU HA H 23 4.054 4.054 3.993 0.061 17876 753 1 15 . 1 1 23 23 LEU H H 23 8.217 8.217 7.696 0.521 17876 754 1 15 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.269 0.049 17876 755 1 15 . 1 1 24 24 LYS H H 24 6.849 6.849 7.668 -0.819 17876 756 1 15 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.874 -0.187 17876 757 1 15 . 1 1 25 25 ASN H H 25 8.082 8.082 8.112 -0.030 17876 758 1 15 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.337 0.106 17876 759 1 15 . 1 1 26 26 CYS H H 26 9.940 9.940 7.902 2.038 17876 760 1 15 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.700 -0.031 17876 761 1 15 . 1 1 27 27 ARG H H 27 7.238 7.238 7.783 -0.545 17876 762 1 15 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.405 0.397 17876 763 1 15 . 1 1 28 28 CYS H H 28 8.568 8.568 8.515 0.053 17876 764 1 15 . 1 1 29 29 ILE HA H 29 3.510 3.510 2.165 1.345 17876 765 1 15 . 1 1 29 29 ILE H H 29 7.528 7.528 7.911 -0.383 17876 766 1 16 . 1 1 2 2 SER HA H 2 4.507 4.507 4.343 0.164 17876 767 1 16 . 1 1 2 2 SER H H 2 8.592 8.592 8.824 -0.232 17876 768 1 16 . 1 1 3 3 GLY H H 3 8.357 8.357 8.621 -0.264 17876 769 1 16 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.605 0.195 17876 770 1 16 . 1 1 4 4 CYS H H 4 8.340 8.340 7.650 0.690 17876 771 1 16 . 1 1 5 5 MET HA H 5 4.747 4.747 4.758 -0.011 17876 772 1 16 . 1 1 5 5 MET H H 5 8.483 8.483 8.241 0.242 17876 773 1 16 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.041 -0.038 17876 774 1 16 . 1 1 7 7 GLU H H 7 8.988 8.988 8.998 -0.010 17876 775 1 16 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.255 -0.065 17876 776 1 16 . 1 1 8 8 TYR H H 8 7.176 7.176 7.538 -0.362 17876 777 1 16 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.013 0.143 17876 778 1 16 . 1 1 9 9 CYS H H 9 7.900 7.900 8.288 -0.388 17876 779 1 16 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.703 -0.681 17876 780 1 16 . 1 1 10 10 ALA H H 10 8.475 8.475 8.316 0.159 17876 781 1 16 . 1 1 11 11 GLY H H 11 7.244 7.244 7.467 -0.223 17876 782 1 16 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.278 -0.159 17876 783 1 16 . 1 1 12 12 GLN H H 12 7.457 7.457 7.862 -0.405 17876 784 1 16 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.677 0.275 17876 785 1 16 . 1 1 13 13 CYS H H 13 7.630 7.630 7.933 -0.303 17876 786 1 16 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.529 -0.097 17876 787 1 16 . 1 1 14 14 ARG H H 14 8.725 8.725 8.707 0.018 17876 788 1 16 . 1 1 15 15 GLY H H 15 8.405 8.405 8.502 -0.097 17876 789 1 16 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.558 -0.719 17876 790 1 16 . 1 1 16 16 LYS H H 16 8.243 8.243 8.270 -0.027 17876 791 1 16 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.798 -0.046 17876 792 1 16 . 1 1 17 17 VAL H H 17 7.990 7.990 8.361 -0.371 17876 793 1 16 . 1 1 18 18 SER HA H 18 4.183 4.183 4.084 0.099 17876 794 1 16 . 1 1 18 18 SER H H 18 8.323 8.323 8.445 -0.122 17876 795 1 16 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.070 -0.507 17876 796 1 16 . 1 1 19 19 GLN H H 19 8.281 8.281 8.268 0.013 17876 797 1 16 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.391 -0.000 17876 798 1 16 . 1 1 20 20 ASP H H 20 8.737 8.737 8.405 0.332 17876 799 1 16 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.254 -0.093 17876 800 1 16 . 1 1 21 21 TYR H H 21 7.999 7.999 7.746 0.253 17876 801 1 16 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.535 -0.105 17876 802 1 16 . 1 1 22 22 CYS H H 22 8.545 8.545 7.870 0.675 17876 803 1 16 . 1 1 23 23 LEU HA H 23 4.054 4.054 3.991 0.063 17876 804 1 16 . 1 1 23 23 LEU H H 23 8.217 8.217 8.081 0.136 17876 805 1 16 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.275 0.043 17876 806 1 16 . 1 1 24 24 LYS H H 24 6.849 6.849 7.462 -0.613 17876 807 1 16 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.851 -0.164 17876 808 1 16 . 1 1 25 25 ASN H H 25 8.082 8.082 8.144 -0.062 17876 809 1 16 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.205 0.238 17876 810 1 16 . 1 1 26 26 CYS H H 26 9.940 9.940 8.321 1.619 17876 811 1 16 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.489 0.180 17876 812 1 16 . 1 1 27 27 ARG H H 27 7.238 7.238 8.025 -0.787 17876 813 1 16 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.807 -0.005 17876 814 1 16 . 1 1 28 28 CYS H H 28 8.568 8.568 8.235 0.333 17876 815 1 16 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.177 0.333 17876 816 1 16 . 1 1 29 29 ILE H H 29 7.528 7.528 8.305 -0.777 17876 817 1 17 . 1 1 2 2 SER HA H 2 4.507 4.507 3.203 1.304 17876 818 1 17 . 1 1 2 2 SER H H 2 8.592 8.592 8.210 0.382 17876 819 1 17 . 1 1 3 3 GLY H H 3 8.357 8.357 7.422 0.935 17876 820 1 17 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.455 0.345 17876 821 1 17 . 1 1 4 4 CYS H H 4 8.340 8.340 8.459 -0.119 17876 822 1 17 . 1 1 5 5 MET HA H 5 4.747 4.747 4.916 -0.169 17876 823 1 17 . 1 1 5 5 MET H H 5 8.483 8.483 8.239 0.244 17876 824 1 17 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.158 -0.155 17876 825 1 17 . 1 1 7 7 GLU H H 7 8.988 8.988 8.979 0.009 17876 826 1 17 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.310 -0.120 17876 827 1 17 . 1 1 8 8 TYR H H 8 7.176 7.176 7.833 -0.657 17876 828 1 17 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.042 0.114 17876 829 1 17 . 1 1 9 9 CYS H H 9 7.900 7.900 8.019 -0.119 17876 830 1 17 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.754 -0.732 17876 831 1 17 . 1 1 10 10 ALA H H 10 8.475 8.475 8.519 -0.044 17876 832 1 17 . 1 1 11 11 GLY H H 11 7.244 7.244 7.448 -0.204 17876 833 1 17 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.516 -0.397 17876 834 1 17 . 1 1 12 12 GLN H H 12 7.457 7.457 7.523 -0.066 17876 835 1 17 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.627 0.325 17876 836 1 17 . 1 1 13 13 CYS H H 13 7.630 7.630 8.343 -0.713 17876 837 1 17 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.564 -0.132 17876 838 1 17 . 1 1 14 14 ARG H H 14 8.725 8.725 8.695 0.030 17876 839 1 17 . 1 1 15 15 GLY H H 15 8.405 8.405 8.494 -0.089 17876 840 1 17 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.533 -0.694 17876 841 1 17 . 1 1 16 16 LYS H H 16 8.243 8.243 8.240 0.003 17876 842 1 17 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.701 0.051 17876 843 1 17 . 1 1 17 17 VAL H H 17 7.990 7.990 8.290 -0.300 17876 844 1 17 . 1 1 18 18 SER HA H 18 4.183 4.183 4.130 0.053 17876 845 1 17 . 1 1 18 18 SER H H 18 8.323 8.323 8.502 -0.179 17876 846 1 17 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.067 -0.504 17876 847 1 17 . 1 1 19 19 GLN H H 19 8.281 8.281 8.254 0.027 17876 848 1 17 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.362 0.029 17876 849 1 17 . 1 1 20 20 ASP H H 20 8.737 8.737 8.614 0.123 17876 850 1 17 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.271 -0.110 17876 851 1 17 . 1 1 21 21 TYR H H 21 7.999 7.999 8.131 -0.132 17876 852 1 17 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.649 -0.219 17876 853 1 17 . 1 1 22 22 CYS H H 22 8.545 8.545 7.955 0.590 17876 854 1 17 . 1 1 23 23 LEU HA H 23 4.054 4.054 3.963 0.091 17876 855 1 17 . 1 1 23 23 LEU H H 23 8.217 8.217 8.651 -0.434 17876 856 1 17 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.145 0.173 17876 857 1 17 . 1 1 24 24 LYS H H 24 6.849 6.849 7.843 -0.994 17876 858 1 17 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.882 -0.195 17876 859 1 17 . 1 1 25 25 ASN H H 25 8.082 8.082 8.088 -0.006 17876 860 1 17 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.274 0.169 17876 861 1 17 . 1 1 26 26 CYS H H 26 9.940 9.940 8.000 1.940 17876 862 1 17 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.676 -0.007 17876 863 1 17 . 1 1 27 27 ARG H H 27 7.238 7.238 7.737 -0.499 17876 864 1 17 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.858 -0.056 17876 865 1 17 . 1 1 28 28 CYS H H 28 8.568 8.568 8.550 0.018 17876 866 1 17 . 1 1 29 29 ILE HA H 29 3.510 3.510 2.865 0.645 17876 867 1 17 . 1 1 29 29 ILE H H 29 7.528 7.528 8.450 -0.922 17876 868 1 18 . 1 1 2 2 SER HA H 2 4.507 4.507 4.516 -0.009 17876 869 1 18 . 1 1 2 2 SER H H 2 8.592 8.592 8.453 0.139 17876 870 1 18 . 1 1 3 3 GLY H H 3 8.357 8.357 8.279 0.078 17876 871 1 18 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.472 0.328 17876 872 1 18 . 1 1 4 4 CYS H H 4 8.340 8.340 8.507 -0.167 17876 873 1 18 . 1 1 5 5 MET HA H 5 4.747 4.747 4.501 0.246 17876 874 1 18 . 1 1 5 5 MET H H 5 8.483 8.483 8.054 0.429 17876 875 1 18 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.097 -0.094 17876 876 1 18 . 1 1 7 7 GLU H H 7 8.988 8.988 8.861 0.127 17876 877 1 18 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.177 0.013 17876 878 1 18 . 1 1 8 8 TYR H H 8 7.176 7.176 7.698 -0.522 17876 879 1 18 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.184 -0.028 17876 880 1 18 . 1 1 9 9 CYS H H 9 7.900 7.900 8.151 -0.251 17876 881 1 18 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.430 -0.408 17876 882 1 18 . 1 1 10 10 ALA H H 10 8.475 8.475 8.412 0.063 17876 883 1 18 . 1 1 11 11 GLY H H 11 7.244 7.244 7.551 -0.307 17876 884 1 18 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.293 -0.174 17876 885 1 18 . 1 1 12 12 GLN H H 12 7.457 7.457 7.682 -0.225 17876 886 1 18 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.638 0.314 17876 887 1 18 . 1 1 13 13 CYS H H 13 7.630 7.630 8.205 -0.575 17876 888 1 18 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.538 -0.106 17876 889 1 18 . 1 1 14 14 ARG H H 14 8.725 8.725 8.624 0.101 17876 890 1 18 . 1 1 15 15 GLY H H 15 8.405 8.405 8.514 -0.109 17876 891 1 18 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.542 -0.703 17876 892 1 18 . 1 1 16 16 LYS H H 16 8.243 8.243 8.174 0.069 17876 893 1 18 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.715 0.037 17876 894 1 18 . 1 1 17 17 VAL H H 17 7.990 7.990 8.314 -0.324 17876 895 1 18 . 1 1 18 18 SER HA H 18 4.183 4.183 4.124 0.059 17876 896 1 18 . 1 1 18 18 SER H H 18 8.323 8.323 8.639 -0.316 17876 897 1 18 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.107 -0.544 17876 898 1 18 . 1 1 19 19 GLN H H 19 8.281 8.281 8.291 -0.010 17876 899 1 18 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.408 -0.017 17876 900 1 18 . 1 1 20 20 ASP H H 20 8.737 8.737 8.403 0.334 17876 901 1 18 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.207 -0.046 17876 902 1 18 . 1 1 21 21 TYR H H 21 7.999 7.999 8.413 -0.414 17876 903 1 18 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.451 -0.021 17876 904 1 18 . 1 1 22 22 CYS H H 22 8.545 8.545 8.087 0.458 17876 905 1 18 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.368 -0.314 17876 906 1 18 . 1 1 23 23 LEU H H 23 8.217 8.217 7.558 0.659 17876 907 1 18 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.244 0.074 17876 908 1 18 . 1 1 24 24 LYS H H 24 6.849 6.849 7.453 -0.604 17876 909 1 18 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.867 -0.180 17876 910 1 18 . 1 1 25 25 ASN H H 25 8.082 8.082 8.126 -0.044 17876 911 1 18 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.331 0.112 17876 912 1 18 . 1 1 26 26 CYS H H 26 9.940 9.940 7.985 1.955 17876 913 1 18 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.716 -0.047 17876 914 1 18 . 1 1 27 27 ARG H H 27 7.238 7.238 7.878 -0.640 17876 915 1 18 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.789 0.013 17876 916 1 18 . 1 1 28 28 CYS H H 28 8.568 8.568 8.522 0.046 17876 917 1 18 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.337 0.173 17876 918 1 18 . 1 1 29 29 ILE H H 29 7.528 7.528 8.386 -0.858 17876 919 1 19 . 1 1 2 2 SER HA H 2 4.507 4.507 4.738 -0.231 17876 920 1 19 . 1 1 2 2 SER H H 2 8.592 8.592 8.438 0.154 17876 921 1 19 . 1 1 3 3 GLY H H 3 8.357 8.357 8.104 0.253 17876 922 1 19 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.653 0.147 17876 923 1 19 . 1 1 4 4 CYS H H 4 8.340 8.340 8.611 -0.271 17876 924 1 19 . 1 1 5 5 MET HA H 5 4.747 4.747 4.661 0.086 17876 925 1 19 . 1 1 5 5 MET H H 5 8.483 8.483 8.043 0.440 17876 926 1 19 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.143 -0.140 17876 927 1 19 . 1 1 7 7 GLU H H 7 8.988 8.988 8.952 0.036 17876 928 1 19 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.350 -0.160 17876 929 1 19 . 1 1 8 8 TYR H H 8 7.176 7.176 7.682 -0.506 17876 930 1 19 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.037 0.119 17876 931 1 19 . 1 1 9 9 CYS H H 9 7.900 7.900 8.654 -0.754 17876 932 1 19 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.621 -0.599 17876 933 1 19 . 1 1 10 10 ALA H H 10 8.475 8.475 8.353 0.122 17876 934 1 19 . 1 1 11 11 GLY H H 11 7.244 7.244 7.652 -0.408 17876 935 1 19 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.545 -0.426 17876 936 1 19 . 1 1 12 12 GLN H H 12 7.457 7.457 7.729 -0.272 17876 937 1 19 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.606 0.346 17876 938 1 19 . 1 1 13 13 CYS H H 13 7.630 7.630 8.106 -0.476 17876 939 1 19 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.546 -0.114 17876 940 1 19 . 1 1 14 14 ARG H H 14 8.725 8.725 8.733 -0.008 17876 941 1 19 . 1 1 15 15 GLY H H 15 8.405 8.405 8.641 -0.236 17876 942 1 19 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.509 -0.670 17876 943 1 19 . 1 1 16 16 LYS H H 16 8.243 8.243 8.337 -0.094 17876 944 1 19 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.827 -0.075 17876 945 1 19 . 1 1 17 17 VAL H H 17 7.990 7.990 8.379 -0.389 17876 946 1 19 . 1 1 18 18 SER HA H 18 4.183 4.183 4.059 0.124 17876 947 1 19 . 1 1 18 18 SER H H 18 8.323 8.323 8.611 -0.288 17876 948 1 19 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.044 -0.481 17876 949 1 19 . 1 1 19 19 GLN H H 19 8.281 8.281 8.277 0.004 17876 950 1 19 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.371 0.020 17876 951 1 19 . 1 1 20 20 ASP H H 20 8.737 8.737 8.188 0.549 17876 952 1 19 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.226 -0.065 17876 953 1 19 . 1 1 21 21 TYR H H 21 7.999 7.999 7.846 0.153 17876 954 1 19 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.347 0.083 17876 955 1 19 . 1 1 22 22 CYS H H 22 8.545 8.545 8.010 0.535 17876 956 1 19 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.007 0.047 17876 957 1 19 . 1 1 23 23 LEU H H 23 8.217 8.217 7.912 0.305 17876 958 1 19 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.146 0.172 17876 959 1 19 . 1 1 24 24 LYS H H 24 6.849 6.849 7.611 -0.762 17876 960 1 19 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.659 0.028 17876 961 1 19 . 1 1 25 25 ASN H H 25 8.082 8.082 8.144 -0.062 17876 962 1 19 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.245 0.198 17876 963 1 19 . 1 1 26 26 CYS H H 26 9.940 9.940 8.002 1.938 17876 964 1 19 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.700 -0.031 17876 965 1 19 . 1 1 27 27 ARG H H 27 7.238 7.238 7.615 -0.377 17876 966 1 19 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.700 0.102 17876 967 1 19 . 1 1 28 28 CYS H H 28 8.568 8.568 8.534 0.034 17876 968 1 19 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.328 0.182 17876 969 1 19 . 1 1 29 29 ILE H H 29 7.528 7.528 8.410 -0.882 17876 970 1 20 . 1 1 2 2 SER HA H 2 4.507 4.507 4.631 -0.124 17876 971 1 20 . 1 1 2 2 SER H H 2 8.592 8.592 8.504 0.088 17876 972 1 20 . 1 1 3 3 GLY H H 3 8.357 8.357 8.174 0.183 17876 973 1 20 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.580 0.220 17876 974 1 20 . 1 1 4 4 CYS H H 4 8.340 8.340 8.614 -0.274 17876 975 1 20 . 1 1 5 5 MET HA H 5 4.747 4.747 4.648 0.099 17876 976 1 20 . 1 1 5 5 MET H H 5 8.483 8.483 8.034 0.449 17876 977 1 20 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.183 -0.180 17876 978 1 20 . 1 1 7 7 GLU H H 7 8.988 8.988 9.027 -0.039 17876 979 1 20 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.347 -0.157 17876 980 1 20 . 1 1 8 8 TYR H H 8 7.176 7.176 7.651 -0.475 17876 981 1 20 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.047 0.109 17876 982 1 20 . 1 1 9 9 CYS H H 9 7.900 7.900 8.500 -0.600 17876 983 1 20 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.442 -0.420 17876 984 1 20 . 1 1 10 10 ALA H H 10 8.475 8.475 8.230 0.245 17876 985 1 20 . 1 1 11 11 GLY H H 11 7.244 7.244 8.283 -1.039 17876 986 1 20 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.130 -0.011 17876 987 1 20 . 1 1 12 12 GLN H H 12 7.457 7.457 7.730 -0.273 17876 988 1 20 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.551 0.401 17876 989 1 20 . 1 1 13 13 CYS H H 13 7.630 7.630 8.146 -0.516 17876 990 1 20 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.416 0.016 17876 991 1 20 . 1 1 14 14 ARG H H 14 8.725 8.725 8.622 0.103 17876 992 1 20 . 1 1 15 15 GLY H H 15 8.405 8.405 8.650 -0.245 17876 993 1 20 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.480 -0.641 17876 994 1 20 . 1 1 16 16 LYS H H 16 8.243 8.243 8.382 -0.139 17876 995 1 20 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.819 -0.067 17876 996 1 20 . 1 1 17 17 VAL H H 17 7.990 7.990 8.378 -0.388 17876 997 1 20 . 1 1 18 18 SER HA H 18 4.183 4.183 4.112 0.071 17876 998 1 20 . 1 1 18 18 SER H H 18 8.323 8.323 8.547 -0.224 17876 999 1 20 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.030 -0.467 17876 1000 1 20 . 1 1 19 19 GLN H H 19 8.281 8.281 8.135 0.146 17876 1001 1 20 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.383 0.008 17876 1002 1 20 . 1 1 20 20 ASP H H 20 8.737 8.737 8.518 0.219 17876 1003 1 20 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.232 -0.071 17876 1004 1 20 . 1 1 21 21 TYR H H 21 7.999 7.999 8.066 -0.067 17876 1005 1 20 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.419 0.011 17876 1006 1 20 . 1 1 22 22 CYS H H 22 8.545 8.545 7.853 0.692 17876 1007 1 20 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.045 0.009 17876 1008 1 20 . 1 1 23 23 LEU H H 23 8.217 8.217 7.875 0.342 17876 1009 1 20 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.262 0.056 17876 1010 1 20 . 1 1 24 24 LYS H H 24 6.849 6.849 7.460 -0.611 17876 1011 1 20 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.763 -0.076 17876 1012 1 20 . 1 1 25 25 ASN H H 25 8.082 8.082 8.115 -0.033 17876 1013 1 20 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.319 0.124 17876 1014 1 20 . 1 1 26 26 CYS H H 26 9.940 9.940 7.650 2.290 17876 1015 1 20 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.597 0.072 17876 1016 1 20 . 1 1 27 27 ARG H H 27 7.238 7.238 7.720 -0.482 17876 1017 1 20 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.609 0.193 17876 1018 1 20 . 1 1 28 28 CYS H H 28 8.568 8.568 8.684 -0.116 17876 1019 1 20 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.354 0.156 17876 1020 1 20 . 1 1 29 29 ILE H H 29 7.528 7.528 8.460 -0.932 17876 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 17876 2 1 1 "Average Difference" HA 30 0.326 0.007 0.331 17876 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17876 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17876 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17876 6 1 1 "Average Difference" HN 27 0.574 -0.010 0.585 17876 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17876 8 1 2 "Average Difference" HA 30 0.279 0.038 0.281 17876 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17876 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17876 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17876 12 1 2 "Average Difference" HN 27 0.611 0.016 0.622 17876 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17876 14 1 3 "Average Difference" HA 30 0.343 0.009 0.349 17876 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17876 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17876 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17876 18 1 3 "Average Difference" HN 27 0.593 0.014 0.604 17876 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17876 20 1 4 "Average Difference" HA 30 0.306 0.005 0.312 17876 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17876 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17876 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17876 24 1 4 "Average Difference" HN 27 0.589 -0.026 0.599 17876 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17876 26 1 5 "Average Difference" HA 30 0.274 -0.006 0.278 17876 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17876 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17876 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17876 30 1 5 "Average Difference" HN 27 0.558 -0.038 0.568 17876 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17876 32 1 6 "Average Difference" HA 30 0.334 -0.026 0.338 17876 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17876 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17876 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17876 36 1 6 "Average Difference" HN 27 0.499 0.037 0.507 17876 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17876 38 1 7 "Average Difference" HA 30 0.263 -0.011 0.268 17876 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17876 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17876 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17876 42 1 7 "Average Difference" HN 27 0.605 -0.005 0.616 17876 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17876 44 1 8 "Average Difference" HA 30 0.298 0.018 0.303 17876 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17876 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17876 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17876 48 1 8 "Average Difference" HN 27 0.582 0.012 0.593 17876 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17876 50 1 9 "Average Difference" HA 30 0.341 0.070 0.340 17876 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17876 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17876 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17876 54 1 9 "Average Difference" HN 27 0.638 -0.031 0.650 17876 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17876 56 1 10 "Average Difference" HA 30 0.341 -0.005 0.347 17876 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17876 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17876 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17876 60 1 10 "Average Difference" HN 27 0.672 -0.067 0.681 17876 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17876 62 1 11 "Average Difference" HA 30 0.348 -0.017 0.354 17876 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17876 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17876 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17876 66 1 11 "Average Difference" HN 27 0.596 -0.012 0.607 17876 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17876 68 1 12 "Average Difference" HA 30 0.362 -0.018 0.368 17876 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17876 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17876 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17876 72 1 12 "Average Difference" HN 27 0.688 -0.054 0.699 17876 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17876 74 1 13 "Average Difference" HA 30 0.290 -0.026 0.294 17876 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17876 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17876 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17876 78 1 13 "Average Difference" HN 27 0.577 -0.007 0.588 17876 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17876 80 1 14 "Average Difference" HA 30 0.297 0.078 0.292 17876 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17876 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17876 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17876 84 1 14 "Average Difference" HN 27 0.582 0.051 0.591 17876 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17876 86 1 15 "Average Difference" HA 30 0.344 -0.067 0.343 17876 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17876 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17876 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17876 90 1 15 "Average Difference" HN 27 0.619 -0.070 0.627 17876 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17876 92 1 16 "Average Difference" HA 30 0.268 0.008 0.273 17876 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17876 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17876 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17876 96 1 16 "Average Difference" HN 27 0.488 0.021 0.496 17876 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17876 98 1 17 "Average Difference" HA 30 0.391 -0.031 0.396 17876 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17876 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17876 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17876 102 1 17 "Average Difference" HN 27 0.566 0.044 0.575 17876 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17876 104 1 18 "Average Difference" HA 30 0.262 -0.003 0.267 17876 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17876 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17876 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17876 108 1 18 "Average Difference" HN 27 0.529 0.034 0.538 17876 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17876 110 1 19 "Average Difference" HA 30 0.262 0.017 0.266 17876 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17876 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17876 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17876 114 1 19 "Average Difference" HN 27 0.542 0.047 0.550 17876 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17876 116 1 20 "Average Difference" HA 30 0.245 -0.014 0.248 17876 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17876 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17876 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17876 120 1 20 "Average Difference" HN 27 0.611 0.063 0.619 17876 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 17876 _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 SER HA H 2 4.507 4.507 4.396 0.111 17876 2 1 . 1 1 2 2 SER H H 2 8.592 8.592 8.460 0.132 17876 3 1 . 1 1 3 3 GLY H H 3 8.357 8.357 7.776 0.581 17876 4 1 . 1 1 4 4 CYS HA H 4 4.800 4.800 4.566 0.234 17876 5 1 . 1 1 4 4 CYS H H 4 8.340 8.340 8.352 -0.012 17876 6 1 . 1 1 5 5 MET HA H 5 4.747 4.747 4.741 0.006 17876 7 1 . 1 1 5 5 MET H H 5 8.483 8.483 7.993 0.490 17876 8 1 . 1 1 7 7 GLU HA H 7 4.003 4.003 4.130 -0.127 17876 9 1 . 1 1 7 7 GLU H H 7 8.988 8.988 8.936 0.052 17876 10 1 . 1 1 8 8 TYR HA H 8 4.190 4.190 4.334 -0.144 17876 11 1 . 1 1 8 8 TYR H H 8 7.176 7.176 7.683 -0.507 17876 12 1 . 1 1 9 9 CYS HA H 9 4.156 4.156 4.084 0.072 17876 13 1 . 1 1 9 9 CYS H H 9 7.900 7.900 8.439 -0.539 17876 14 1 . 1 1 10 10 ALA HA H 10 4.022 4.022 4.596 -0.574 17876 15 1 . 1 1 10 10 ALA H H 10 8.475 8.475 8.236 0.239 17876 16 1 . 1 1 11 11 GLY H H 11 7.244 7.244 7.658 -0.414 17876 17 1 . 1 1 12 12 GLN HA H 12 4.119 4.119 4.334 -0.215 17876 18 1 . 1 1 12 12 GLN H H 12 7.457 7.457 7.759 -0.302 17876 19 1 . 1 1 13 13 CYS HA H 13 4.952 4.952 4.646 0.306 17876 20 1 . 1 1 13 13 CYS H H 13 7.630 7.630 8.078 -0.448 17876 21 1 . 1 1 14 14 ARG HA H 14 4.432 4.432 4.509 -0.077 17876 22 1 . 1 1 14 14 ARG H H 14 8.725 8.725 8.677 0.048 17876 23 1 . 1 1 15 15 GLY H H 15 8.405 8.405 8.480 -0.075 17876 24 1 . 1 1 16 16 LYS HA H 16 3.839 3.839 4.533 -0.695 17876 25 1 . 1 1 16 16 LYS H H 16 8.243 8.243 8.215 0.028 17876 26 1 . 1 1 17 17 VAL HA H 17 3.752 3.752 3.829 -0.077 17876 27 1 . 1 1 17 17 VAL H H 17 7.990 7.990 8.286 -0.296 17876 28 1 . 1 1 18 18 SER HA H 18 4.183 4.183 4.113 0.070 17876 29 1 . 1 1 18 18 SER H H 18 8.323 8.323 8.512 -0.189 17876 30 1 . 1 1 19 19 GLN HA H 19 3.563 3.563 4.058 -0.495 17876 31 1 . 1 1 19 19 GLN H H 19 8.281 8.281 8.281 0.000 17876 32 1 . 1 1 20 20 ASP HA H 20 4.391 4.391 4.410 -0.019 17876 33 1 . 1 1 20 20 ASP H H 20 8.737 8.737 8.330 0.407 17876 34 1 . 1 1 21 21 TYR HA H 21 4.161 4.161 4.227 -0.066 17876 35 1 . 1 1 21 21 TYR H H 21 7.999 7.999 8.006 -0.007 17876 36 1 . 1 1 22 22 CYS HA H 22 4.430 4.430 4.445 -0.015 17876 37 1 . 1 1 22 22 CYS H H 22 8.545 8.545 7.959 0.587 17876 38 1 . 1 1 23 23 LEU HA H 23 4.054 4.054 4.075 -0.021 17876 39 1 . 1 1 23 23 LEU H H 23 8.217 8.217 7.912 0.305 17876 40 1 . 1 1 24 24 LYS HA H 24 4.318 4.318 4.246 0.072 17876 41 1 . 1 1 24 24 LYS H H 24 6.849 6.849 7.608 -0.759 17876 42 1 . 1 1 25 25 ASN HA H 25 4.687 4.687 4.819 -0.132 17876 43 1 . 1 1 25 25 ASN H H 25 8.082 8.082 8.106 -0.024 17876 44 1 . 1 1 26 26 CYS HA H 26 4.443 4.443 4.272 0.171 17876 45 1 . 1 1 26 26 CYS H H 26 9.940 9.940 7.963 1.977 17876 46 1 . 1 1 27 27 ARG HA H 27 4.669 4.669 4.585 0.084 17876 47 1 . 1 1 27 27 ARG H H 27 7.238 7.238 7.707 -0.469 17876 48 1 . 1 1 28 28 CYS HA H 28 4.802 4.802 4.793 0.009 17876 49 1 . 1 1 28 28 CYS H H 28 8.568 8.568 8.510 0.058 17876 50 1 . 1 1 29 29 ILE HA H 29 3.510 3.510 3.251 0.259 17876 51 1 . 1 1 29 29 ILE H H 29 7.528 7.528 8.416 -0.888 17876 stop_ save_