data_17798 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17798 _Entry.PDB_ID 2LG6 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 17798 _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 PHE HA H 2 4.829 4.829 4.721 0.108 17798 2 1 1 . 1 1 2 2 PHE H H 2 8.888 8.888 8.564 0.324 17798 3 1 1 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.834 -0.226 17798 4 1 1 . 1 1 3 3 CYS H H 3 8.428 8.428 7.759 0.669 17798 5 1 1 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.182 -0.103 17798 6 1 1 . 1 1 4 4 LYS H H 4 8.527 8.527 9.097 -0.570 17798 7 1 1 . 1 1 5 5 GLY H H 5 8.773 8.773 9.099 -0.326 17798 8 1 1 . 1 1 6 6 GLY H H 6 7.623 7.623 8.299 -0.676 17798 9 1 1 . 1 1 7 7 SER HA H 7 4.961 4.961 4.807 0.154 17798 10 1 1 . 1 1 7 7 SER H H 7 8.559 8.559 7.861 0.698 17798 11 1 1 . 1 1 8 8 CYS HA H 8 5.506 5.506 4.955 0.551 17798 12 1 1 . 1 1 8 8 CYS H H 8 8.704 8.704 8.521 0.183 17798 13 1 1 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.849 -0.056 17798 14 1 1 . 1 1 9 9 HIS H H 9 9.649 9.649 9.246 0.403 17798 15 1 1 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.120 0.414 17798 16 1 1 . 1 1 10 10 PHE H H 10 9.201 9.201 9.003 0.198 17798 17 1 1 . 1 1 11 11 GLY H H 11 8.589 8.589 8.979 -0.390 17798 18 1 1 . 1 1 12 12 GLY H H 12 7.998 7.998 7.544 0.454 17798 19 1 1 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.878 -0.046 17798 20 1 1 . 1 1 13 13 CYS H H 13 8.547 8.547 8.108 0.439 17798 21 1 1 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.102 0.331 17798 22 1 1 . 1 1 15 15 SER HA H 15 3.967 3.967 3.877 0.090 17798 23 1 1 . 1 1 15 15 SER H H 15 8.345 8.345 8.366 -0.021 17798 24 1 1 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.320 -0.015 17798 25 1 1 . 1 1 16 16 HIS H H 16 8.346 8.346 6.824 1.522 17798 26 1 1 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.823 0.713 17798 27 1 1 . 1 1 17 17 LEU H H 17 7.712 7.712 7.294 0.418 17798 28 1 1 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.422 -0.036 17798 29 1 1 . 1 1 18 18 ILE H H 18 8.938 8.938 8.888 0.050 17798 30 1 1 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.385 0.419 17798 31 1 1 . 1 1 19 19 LYS H H 19 8.725 8.725 8.551 0.174 17798 32 1 1 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.124 0.456 17798 33 1 1 . 1 1 20 20 VAL H H 20 8.753 8.753 8.429 0.324 17798 34 1 1 . 1 1 21 21 GLY H H 21 7.544 7.544 7.577 -0.033 17798 35 1 1 . 1 1 22 22 SER HA H 22 5.060 5.060 4.658 0.402 17798 36 1 1 . 1 1 22 22 SER H H 22 8.936 8.936 8.517 0.419 17798 37 1 1 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.648 0.220 17798 38 1 1 . 1 1 23 23 CYS H H 23 8.014 8.014 8.777 -0.763 17798 39 1 1 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.317 -0.044 17798 40 1 1 . 1 1 24 24 PHE H H 24 8.236 8.236 8.767 -0.531 17798 41 1 1 . 1 1 25 25 GLY H H 25 8.311 8.311 7.801 0.510 17798 42 1 1 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.292 0.171 17798 43 1 1 . 1 1 26 26 PHE H H 26 8.317 8.317 7.872 0.445 17798 44 1 1 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.337 0.394 17798 45 1 1 . 1 1 27 27 ARG H H 27 7.172 7.172 7.485 -0.313 17798 46 1 1 . 1 1 28 28 SER HA H 28 4.716 4.716 4.814 -0.098 17798 47 1 1 . 1 1 28 28 SER H H 28 9.075 9.075 8.181 0.894 17798 48 1 1 . 1 1 29 29 CYS HA H 29 4.819 4.819 4.772 0.047 17798 49 1 1 . 1 1 29 29 CYS H H 29 8.671 8.671 9.005 -0.334 17798 50 1 1 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.493 0.029 17798 51 1 1 . 1 1 30 30 CYS H H 30 9.014 9.014 8.437 0.577 17798 52 1 1 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.904 -0.080 17798 53 1 1 . 1 1 31 31 ALA H H 31 9.668 9.668 9.043 0.625 17798 54 1 1 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.660 0.015 17798 55 1 1 . 1 1 32 32 TRP H H 32 8.444 8.444 8.187 0.257 17798 56 1 1 . 1 1 33 33 PRO HA H 33 4.255 4.255 3.886 0.369 17798 57 1 1 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.386 0.346 17798 58 1 1 . 1 1 34 34 TRP H H 34 7.301 7.301 7.702 -0.401 17798 59 1 1 . 1 1 35 35 ASN HA H 35 4.789 4.789 5.119 -0.330 17798 60 1 1 . 1 1 35 35 ASN H H 35 8.049 8.049 8.307 -0.258 17798 61 1 2 . 1 1 2 2 PHE HA H 2 4.829 4.829 4.784 0.045 17798 62 1 2 . 1 1 2 2 PHE H H 2 8.888 8.888 8.427 0.461 17798 63 1 2 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.890 -0.282 17798 64 1 2 . 1 1 3 3 CYS H H 3 8.428 8.428 7.672 0.756 17798 65 1 2 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.203 -0.124 17798 66 1 2 . 1 1 4 4 LYS H H 4 8.527 8.527 9.113 -0.586 17798 67 1 2 . 1 1 5 5 GLY H H 5 8.773 8.773 9.106 -0.333 17798 68 1 2 . 1 1 6 6 GLY H H 6 7.623 7.623 8.287 -0.664 17798 69 1 2 . 1 1 7 7 SER HA H 7 4.961 4.961 4.779 0.182 17798 70 1 2 . 1 1 7 7 SER H H 7 8.559 8.559 7.912 0.646 17798 71 1 2 . 1 1 8 8 CYS HA H 8 5.506 5.506 5.150 0.356 17798 72 1 2 . 1 1 8 8 CYS H H 8 8.704 8.704 8.644 0.060 17798 73 1 2 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.876 -0.083 17798 74 1 2 . 1 1 9 9 HIS H H 9 9.649 9.649 9.149 0.500 17798 75 1 2 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.318 0.216 17798 76 1 2 . 1 1 10 10 PHE H H 10 9.201 9.201 8.969 0.232 17798 77 1 2 . 1 1 11 11 GLY H H 11 8.589 8.589 8.943 -0.354 17798 78 1 2 . 1 1 12 12 GLY H H 12 7.998 7.998 7.509 0.489 17798 79 1 2 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.921 -0.089 17798 80 1 2 . 1 1 13 13 CYS H H 13 8.547 8.547 8.110 0.437 17798 81 1 2 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.132 0.301 17798 82 1 2 . 1 1 15 15 SER HA H 15 3.967 3.967 3.951 0.016 17798 83 1 2 . 1 1 15 15 SER H H 15 8.345 8.345 8.452 -0.107 17798 84 1 2 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.316 -0.011 17798 85 1 2 . 1 1 16 16 HIS H H 16 8.346 8.346 7.097 1.249 17798 86 1 2 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.752 0.784 17798 87 1 2 . 1 1 17 17 LEU H H 17 7.712 7.712 7.306 0.406 17798 88 1 2 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.364 0.022 17798 89 1 2 . 1 1 18 18 ILE H H 18 8.938 8.938 8.725 0.213 17798 90 1 2 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.418 0.386 17798 91 1 2 . 1 1 19 19 LYS H H 19 8.725 8.725 8.471 0.254 17798 92 1 2 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.143 0.437 17798 93 1 2 . 1 1 20 20 VAL H H 20 8.753 8.753 8.478 0.275 17798 94 1 2 . 1 1 21 21 GLY H H 21 7.544 7.544 7.566 -0.022 17798 95 1 2 . 1 1 22 22 SER HA H 22 5.060 5.060 4.660 0.400 17798 96 1 2 . 1 1 22 22 SER H H 22 8.936 8.936 8.482 0.454 17798 97 1 2 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.591 0.277 17798 98 1 2 . 1 1 23 23 CYS H H 23 8.014 8.014 8.707 -0.693 17798 99 1 2 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.544 -0.271 17798 100 1 2 . 1 1 24 24 PHE H H 24 8.236 8.236 8.786 -0.550 17798 101 1 2 . 1 1 25 25 GLY H H 25 8.311 8.311 8.310 0.001 17798 102 1 2 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.538 -0.075 17798 103 1 2 . 1 1 26 26 PHE H H 26 8.317 8.317 7.776 0.541 17798 104 1 2 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.295 0.436 17798 105 1 2 . 1 1 27 27 ARG H H 27 7.172 7.172 7.635 -0.463 17798 106 1 2 . 1 1 28 28 SER HA H 28 4.716 4.716 4.695 0.021 17798 107 1 2 . 1 1 28 28 SER H H 28 9.075 9.075 8.304 0.771 17798 108 1 2 . 1 1 29 29 CYS HA H 29 4.819 4.819 4.706 0.113 17798 109 1 2 . 1 1 29 29 CYS H H 29 8.671 8.671 8.970 -0.299 17798 110 1 2 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.506 0.016 17798 111 1 2 . 1 1 30 30 CYS H H 30 9.014 9.014 8.467 0.547 17798 112 1 2 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.898 -0.074 17798 113 1 2 . 1 1 31 31 ALA H H 31 9.668 9.668 8.998 0.670 17798 114 1 2 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.654 0.021 17798 115 1 2 . 1 1 32 32 TRP H H 32 8.444 8.444 8.324 0.120 17798 116 1 2 . 1 1 33 33 PRO HA H 33 4.255 4.255 3.916 0.339 17798 117 1 2 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.381 0.351 17798 118 1 2 . 1 1 34 34 TRP H H 34 7.301 7.301 7.677 -0.376 17798 119 1 2 . 1 1 35 35 ASN HA H 35 4.789 4.789 5.123 -0.334 17798 120 1 2 . 1 1 35 35 ASN H H 35 8.049 8.049 8.378 -0.329 17798 121 1 3 . 1 1 2 2 PHE HA H 2 4.829 4.829 4.950 -0.121 17798 122 1 3 . 1 1 2 2 PHE H H 2 8.888 8.888 8.601 0.287 17798 123 1 3 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.839 -0.231 17798 124 1 3 . 1 1 3 3 CYS H H 3 8.428 8.428 7.934 0.494 17798 125 1 3 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.107 -0.028 17798 126 1 3 . 1 1 4 4 LYS H H 4 8.527 8.527 9.122 -0.595 17798 127 1 3 . 1 1 5 5 GLY H H 5 8.773 8.773 8.897 -0.124 17798 128 1 3 . 1 1 6 6 GLY H H 6 7.623 7.623 8.065 -0.442 17798 129 1 3 . 1 1 7 7 SER HA H 7 4.961 4.961 5.093 -0.132 17798 130 1 3 . 1 1 7 7 SER H H 7 8.559 8.559 8.171 0.388 17798 131 1 3 . 1 1 8 8 CYS HA H 8 5.506 5.506 4.989 0.517 17798 132 1 3 . 1 1 8 8 CYS H H 8 8.704 8.704 8.495 0.209 17798 133 1 3 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.854 -0.061 17798 134 1 3 . 1 1 9 9 HIS H H 9 9.649 9.649 9.172 0.477 17798 135 1 3 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.146 0.388 17798 136 1 3 . 1 1 10 10 PHE H H 10 9.201 9.201 8.956 0.245 17798 137 1 3 . 1 1 11 11 GLY H H 11 8.589 8.589 9.195 -0.606 17798 138 1 3 . 1 1 12 12 GLY H H 12 7.998 7.998 7.507 0.491 17798 139 1 3 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.783 0.049 17798 140 1 3 . 1 1 13 13 CYS H H 13 8.547 8.547 8.091 0.456 17798 141 1 3 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.073 0.360 17798 142 1 3 . 1 1 15 15 SER HA H 15 3.967 3.967 3.891 0.076 17798 143 1 3 . 1 1 15 15 SER H H 15 8.345 8.345 8.392 -0.047 17798 144 1 3 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.352 -0.047 17798 145 1 3 . 1 1 16 16 HIS H H 16 8.346 8.346 6.855 1.491 17798 146 1 3 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.790 0.746 17798 147 1 3 . 1 1 17 17 LEU H H 17 7.712 7.712 7.250 0.462 17798 148 1 3 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.312 0.074 17798 149 1 3 . 1 1 18 18 ILE H H 18 8.938 8.938 8.837 0.101 17798 150 1 3 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.343 0.461 17798 151 1 3 . 1 1 19 19 LYS H H 19 8.725 8.725 8.514 0.211 17798 152 1 3 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.083 0.497 17798 153 1 3 . 1 1 20 20 VAL H H 20 8.753 8.753 8.479 0.274 17798 154 1 3 . 1 1 21 21 GLY H H 21 7.544 7.544 7.570 -0.026 17798 155 1 3 . 1 1 22 22 SER HA H 22 5.060 5.060 4.816 0.244 17798 156 1 3 . 1 1 22 22 SER H H 22 8.936 8.936 8.479 0.457 17798 157 1 3 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.732 0.136 17798 158 1 3 . 1 1 23 23 CYS H H 23 8.014 8.014 8.573 -0.559 17798 159 1 3 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.335 -0.062 17798 160 1 3 . 1 1 24 24 PHE H H 24 8.236 8.236 8.800 -0.564 17798 161 1 3 . 1 1 25 25 GLY H H 25 8.311 8.311 7.715 0.596 17798 162 1 3 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.309 0.154 17798 163 1 3 . 1 1 26 26 PHE H H 26 8.317 8.317 7.762 0.555 17798 164 1 3 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.337 0.394 17798 165 1 3 . 1 1 27 27 ARG H H 27 7.172 7.172 7.596 -0.424 17798 166 1 3 . 1 1 28 28 SER HA H 28 4.716 4.716 4.769 -0.053 17798 167 1 3 . 1 1 28 28 SER H H 28 9.075 9.075 8.241 0.834 17798 168 1 3 . 1 1 29 29 CYS HA H 29 4.819 4.819 4.763 0.056 17798 169 1 3 . 1 1 29 29 CYS H H 29 8.671 8.671 8.914 -0.243 17798 170 1 3 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.516 0.006 17798 171 1 3 . 1 1 30 30 CYS H H 30 9.014 9.014 8.863 0.151 17798 172 1 3 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.876 -0.052 17798 173 1 3 . 1 1 31 31 ALA H H 31 9.668 9.668 8.785 0.883 17798 174 1 3 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.625 0.050 17798 175 1 3 . 1 1 32 32 TRP H H 32 8.444 8.444 8.634 -0.190 17798 176 1 3 . 1 1 33 33 PRO HA H 33 4.255 4.255 4.155 0.100 17798 177 1 3 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.377 0.355 17798 178 1 3 . 1 1 34 34 TRP H H 34 7.301 7.301 7.786 -0.485 17798 179 1 3 . 1 1 35 35 ASN HA H 35 4.789 4.789 5.001 -0.212 17798 180 1 3 . 1 1 35 35 ASN H H 35 8.049 8.049 8.405 -0.356 17798 181 1 4 . 1 1 2 2 PHE HA H 2 4.829 4.829 4.910 -0.081 17798 182 1 4 . 1 1 2 2 PHE H H 2 8.888 8.888 8.405 0.483 17798 183 1 4 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.790 -0.182 17798 184 1 4 . 1 1 3 3 CYS H H 3 8.428 8.428 7.831 0.597 17798 185 1 4 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.251 -0.172 17798 186 1 4 . 1 1 4 4 LYS H H 4 8.527 8.527 9.185 -0.658 17798 187 1 4 . 1 1 5 5 GLY H H 5 8.773 8.773 9.138 -0.365 17798 188 1 4 . 1 1 6 6 GLY H H 6 7.623 7.623 8.268 -0.645 17798 189 1 4 . 1 1 7 7 SER HA H 7 4.961 4.961 4.818 0.143 17798 190 1 4 . 1 1 7 7 SER H H 7 8.559 8.559 8.354 0.205 17798 191 1 4 . 1 1 8 8 CYS HA H 8 5.506 5.506 5.124 0.382 17798 192 1 4 . 1 1 8 8 CYS H H 8 8.704 8.704 8.584 0.120 17798 193 1 4 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.721 0.072 17798 194 1 4 . 1 1 9 9 HIS H H 9 9.649 9.649 9.370 0.279 17798 195 1 4 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.267 0.267 17798 196 1 4 . 1 1 10 10 PHE H H 10 9.201 9.201 8.795 0.406 17798 197 1 4 . 1 1 11 11 GLY H H 11 8.589 8.589 9.131 -0.542 17798 198 1 4 . 1 1 12 12 GLY H H 12 7.998 7.998 7.521 0.477 17798 199 1 4 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.789 0.043 17798 200 1 4 . 1 1 13 13 CYS H H 13 8.547 8.547 8.105 0.442 17798 201 1 4 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.154 0.279 17798 202 1 4 . 1 1 15 15 SER HA H 15 3.967 3.967 3.837 0.130 17798 203 1 4 . 1 1 15 15 SER H H 15 8.345 8.345 8.259 0.086 17798 204 1 4 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.333 -0.028 17798 205 1 4 . 1 1 16 16 HIS H H 16 8.346 8.346 6.968 1.378 17798 206 1 4 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.754 0.782 17798 207 1 4 . 1 1 17 17 LEU H H 17 7.712 7.712 7.309 0.403 17798 208 1 4 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.429 -0.043 17798 209 1 4 . 1 1 18 18 ILE H H 18 8.938 8.938 8.591 0.347 17798 210 1 4 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.474 0.330 17798 211 1 4 . 1 1 19 19 LYS H H 19 8.725 8.725 8.554 0.171 17798 212 1 4 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.001 0.579 17798 213 1 4 . 1 1 20 20 VAL H H 20 8.753 8.753 8.335 0.418 17798 214 1 4 . 1 1 21 21 GLY H H 21 7.544 7.544 7.607 -0.063 17798 215 1 4 . 1 1 22 22 SER HA H 22 5.060 5.060 5.092 -0.032 17798 216 1 4 . 1 1 22 22 SER H H 22 8.936 8.936 8.429 0.507 17798 217 1 4 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.647 0.221 17798 218 1 4 . 1 1 23 23 CYS H H 23 8.014 8.014 8.826 -0.812 17798 219 1 4 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.230 0.043 17798 220 1 4 . 1 1 24 24 PHE H H 24 8.236 8.236 8.810 -0.574 17798 221 1 4 . 1 1 25 25 GLY H H 25 8.311 8.311 7.676 0.635 17798 222 1 4 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.305 0.158 17798 223 1 4 . 1 1 26 26 PHE H H 26 8.317 8.317 7.302 1.015 17798 224 1 4 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.444 0.287 17798 225 1 4 . 1 1 27 27 ARG H H 27 7.172 7.172 7.530 -0.358 17798 226 1 4 . 1 1 28 28 SER HA H 28 4.716 4.716 4.737 -0.021 17798 227 1 4 . 1 1 28 28 SER H H 28 9.075 9.075 8.308 0.767 17798 228 1 4 . 1 1 29 29 CYS HA H 29 4.819 4.819 5.121 -0.302 17798 229 1 4 . 1 1 29 29 CYS H H 29 8.671 8.671 8.852 -0.181 17798 230 1 4 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.540 -0.018 17798 231 1 4 . 1 1 30 30 CYS H H 30 9.014 9.014 8.911 0.103 17798 232 1 4 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.862 -0.038 17798 233 1 4 . 1 1 31 31 ALA H H 31 9.668 9.668 9.073 0.595 17798 234 1 4 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.688 -0.013 17798 235 1 4 . 1 1 32 32 TRP H H 32 8.444 8.444 8.081 0.363 17798 236 1 4 . 1 1 33 33 PRO HA H 33 4.255 4.255 3.868 0.387 17798 237 1 4 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.368 0.364 17798 238 1 4 . 1 1 34 34 TRP H H 34 7.301 7.301 7.894 -0.593 17798 239 1 4 . 1 1 35 35 ASN HA H 35 4.789 4.789 5.102 -0.313 17798 240 1 4 . 1 1 35 35 ASN H H 35 8.049 8.049 8.493 -0.444 17798 241 1 5 . 1 1 2 2 PHE HA H 2 4.829 4.829 4.883 -0.054 17798 242 1 5 . 1 1 2 2 PHE H H 2 8.888 8.888 8.640 0.248 17798 243 1 5 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.900 -0.292 17798 244 1 5 . 1 1 3 3 CYS H H 3 8.428 8.428 8.035 0.393 17798 245 1 5 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.184 -0.105 17798 246 1 5 . 1 1 4 4 LYS H H 4 8.527 8.527 9.095 -0.568 17798 247 1 5 . 1 1 5 5 GLY H H 5 8.773 8.773 9.072 -0.299 17798 248 1 5 . 1 1 6 6 GLY H H 6 7.623 7.623 8.262 -0.639 17798 249 1 5 . 1 1 7 7 SER HA H 7 4.961 4.961 4.962 -0.001 17798 250 1 5 . 1 1 7 7 SER H H 7 8.559 8.559 7.835 0.724 17798 251 1 5 . 1 1 8 8 CYS HA H 8 5.506 5.506 5.169 0.337 17798 252 1 5 . 1 1 8 8 CYS H H 8 8.704 8.704 8.623 0.081 17798 253 1 5 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.889 -0.096 17798 254 1 5 . 1 1 9 9 HIS H H 9 9.649 9.649 9.191 0.458 17798 255 1 5 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.290 0.244 17798 256 1 5 . 1 1 10 10 PHE H H 10 9.201 9.201 8.980 0.221 17798 257 1 5 . 1 1 11 11 GLY H H 11 8.589 8.589 8.993 -0.404 17798 258 1 5 . 1 1 12 12 GLY H H 12 7.998 7.998 7.488 0.510 17798 259 1 5 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.805 0.027 17798 260 1 5 . 1 1 13 13 CYS H H 13 8.547 8.547 8.095 0.452 17798 261 1 5 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.087 0.346 17798 262 1 5 . 1 1 15 15 SER HA H 15 3.967 3.967 3.902 0.065 17798 263 1 5 . 1 1 15 15 SER H H 15 8.345 8.345 8.377 -0.032 17798 264 1 5 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.372 -0.067 17798 265 1 5 . 1 1 16 16 HIS H H 16 8.346 8.346 6.770 1.576 17798 266 1 5 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.805 0.731 17798 267 1 5 . 1 1 17 17 LEU H H 17 7.712 7.712 7.234 0.478 17798 268 1 5 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.329 0.057 17798 269 1 5 . 1 1 18 18 ILE H H 18 8.938 8.938 8.853 0.085 17798 270 1 5 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.385 0.419 17798 271 1 5 . 1 1 19 19 LYS H H 19 8.725 8.725 8.555 0.170 17798 272 1 5 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.209 0.371 17798 273 1 5 . 1 1 20 20 VAL H H 20 8.753 8.753 8.465 0.288 17798 274 1 5 . 1 1 21 21 GLY H H 21 7.544 7.544 7.520 0.024 17798 275 1 5 . 1 1 22 22 SER HA H 22 5.060 5.060 4.718 0.342 17798 276 1 5 . 1 1 22 22 SER H H 22 8.936 8.936 8.456 0.480 17798 277 1 5 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.638 0.230 17798 278 1 5 . 1 1 23 23 CYS H H 23 8.014 8.014 8.715 -0.701 17798 279 1 5 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.463 -0.190 17798 280 1 5 . 1 1 24 24 PHE H H 24 8.236 8.236 8.881 -0.645 17798 281 1 5 . 1 1 25 25 GLY H H 25 8.311 8.311 8.420 -0.109 17798 282 1 5 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.620 -0.157 17798 283 1 5 . 1 1 26 26 PHE H H 26 8.317 8.317 7.865 0.452 17798 284 1 5 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.287 0.444 17798 285 1 5 . 1 1 27 27 ARG H H 27 7.172 7.172 7.709 -0.537 17798 286 1 5 . 1 1 28 28 SER HA H 28 4.716 4.716 4.688 0.028 17798 287 1 5 . 1 1 28 28 SER H H 28 9.075 9.075 8.150 0.925 17798 288 1 5 . 1 1 29 29 CYS HA H 29 4.819 4.819 4.651 0.168 17798 289 1 5 . 1 1 29 29 CYS H H 29 8.671 8.671 8.948 -0.277 17798 290 1 5 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.523 -0.001 17798 291 1 5 . 1 1 30 30 CYS H H 30 9.014 9.014 8.534 0.480 17798 292 1 5 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.859 -0.035 17798 293 1 5 . 1 1 31 31 ALA H H 31 9.668 9.668 9.021 0.647 17798 294 1 5 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.654 0.021 17798 295 1 5 . 1 1 32 32 TRP H H 32 8.444 8.444 8.356 0.088 17798 296 1 5 . 1 1 33 33 PRO HA H 33 4.255 4.255 3.962 0.293 17798 297 1 5 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.377 0.355 17798 298 1 5 . 1 1 34 34 TRP H H 34 7.301 7.301 7.802 -0.501 17798 299 1 5 . 1 1 35 35 ASN HA H 35 4.789 4.789 4.982 -0.193 17798 300 1 5 . 1 1 35 35 ASN H H 35 8.049 8.049 8.439 -0.390 17798 301 1 6 . 1 1 2 2 PHE HA H 2 4.829 4.829 4.780 0.049 17798 302 1 6 . 1 1 2 2 PHE H H 2 8.888 8.888 8.395 0.493 17798 303 1 6 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.865 -0.257 17798 304 1 6 . 1 1 3 3 CYS H H 3 8.428 8.428 7.870 0.558 17798 305 1 6 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.200 -0.121 17798 306 1 6 . 1 1 4 4 LYS H H 4 8.527 8.527 9.098 -0.571 17798 307 1 6 . 1 1 5 5 GLY H H 5 8.773 8.773 9.029 -0.256 17798 308 1 6 . 1 1 6 6 GLY H H 6 7.623 7.623 8.302 -0.679 17798 309 1 6 . 1 1 7 7 SER HA H 7 4.961 4.961 4.646 0.315 17798 310 1 6 . 1 1 7 7 SER H H 7 8.559 8.559 7.558 1.001 17798 311 1 6 . 1 1 8 8 CYS HA H 8 5.506 5.506 5.108 0.398 17798 312 1 6 . 1 1 8 8 CYS H H 8 8.704 8.704 8.645 0.060 17798 313 1 6 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.921 -0.128 17798 314 1 6 . 1 1 9 9 HIS H H 9 9.649 9.649 9.200 0.449 17798 315 1 6 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.364 0.170 17798 316 1 6 . 1 1 10 10 PHE H H 10 9.201 9.201 8.920 0.281 17798 317 1 6 . 1 1 11 11 GLY H H 11 8.589 8.589 8.845 -0.256 17798 318 1 6 . 1 1 12 12 GLY H H 12 7.998 7.998 7.466 0.532 17798 319 1 6 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.758 0.074 17798 320 1 6 . 1 1 13 13 CYS H H 13 8.547 8.547 8.084 0.463 17798 321 1 6 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.154 0.279 17798 322 1 6 . 1 1 15 15 SER HA H 15 3.967 3.967 3.931 0.036 17798 323 1 6 . 1 1 15 15 SER H H 15 8.345 8.345 8.441 -0.096 17798 324 1 6 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.344 -0.039 17798 325 1 6 . 1 1 16 16 HIS H H 16 8.346 8.346 6.982 1.364 17798 326 1 6 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.775 0.761 17798 327 1 6 . 1 1 17 17 LEU H H 17 7.712 7.712 7.298 0.414 17798 328 1 6 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.344 0.042 17798 329 1 6 . 1 1 18 18 ILE H H 18 8.938 8.938 8.853 0.085 17798 330 1 6 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.402 0.402 17798 331 1 6 . 1 1 19 19 LYS H H 19 8.725 8.725 8.537 0.188 17798 332 1 6 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.043 0.537 17798 333 1 6 . 1 1 20 20 VAL H H 20 8.753 8.753 8.379 0.374 17798 334 1 6 . 1 1 21 21 GLY H H 21 7.544 7.544 7.594 -0.050 17798 335 1 6 . 1 1 22 22 SER HA H 22 5.060 5.060 4.916 0.144 17798 336 1 6 . 1 1 22 22 SER H H 22 8.936 8.936 8.532 0.404 17798 337 1 6 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.725 0.143 17798 338 1 6 . 1 1 23 23 CYS H H 23 8.014 8.014 8.511 -0.497 17798 339 1 6 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.533 -0.260 17798 340 1 6 . 1 1 24 24 PHE H H 24 8.236 8.236 8.835 -0.599 17798 341 1 6 . 1 1 25 25 GLY H H 25 8.311 8.311 8.698 -0.387 17798 342 1 6 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.612 -0.149 17798 343 1 6 . 1 1 26 26 PHE H H 26 8.317 8.317 7.909 0.408 17798 344 1 6 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.401 0.330 17798 345 1 6 . 1 1 27 27 ARG H H 27 7.172 7.172 7.820 -0.648 17798 346 1 6 . 1 1 28 28 SER HA H 28 4.716 4.716 4.718 -0.002 17798 347 1 6 . 1 1 28 28 SER H H 28 9.075 9.075 8.432 0.643 17798 348 1 6 . 1 1 29 29 CYS HA H 29 4.819 4.819 4.773 0.046 17798 349 1 6 . 1 1 29 29 CYS H H 29 8.671 8.671 8.886 -0.215 17798 350 1 6 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.514 0.008 17798 351 1 6 . 1 1 30 30 CYS H H 30 9.014 9.014 8.611 0.403 17798 352 1 6 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.891 -0.067 17798 353 1 6 . 1 1 31 31 ALA H H 31 9.668 9.668 8.825 0.843 17798 354 1 6 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.633 0.042 17798 355 1 6 . 1 1 32 32 TRP H H 32 8.444 8.444 8.725 -0.281 17798 356 1 6 . 1 1 33 33 PRO HA H 33 4.255 4.255 3.850 0.405 17798 357 1 6 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.365 0.367 17798 358 1 6 . 1 1 34 34 TRP H H 34 7.301 7.301 7.865 -0.564 17798 359 1 6 . 1 1 35 35 ASN HA H 35 4.789 4.789 5.111 -0.322 17798 360 1 6 . 1 1 35 35 ASN H H 35 8.049 8.049 8.351 -0.302 17798 361 1 7 . 1 1 2 2 PHE HA H 2 4.829 4.829 5.051 -0.222 17798 362 1 7 . 1 1 2 2 PHE H H 2 8.888 8.888 8.387 0.501 17798 363 1 7 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.842 -0.234 17798 364 1 7 . 1 1 3 3 CYS H H 3 8.428 8.428 7.802 0.626 17798 365 1 7 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.135 -0.056 17798 366 1 7 . 1 1 4 4 LYS H H 4 8.527 8.527 9.158 -0.631 17798 367 1 7 . 1 1 5 5 GLY H H 5 8.773 8.773 8.916 -0.143 17798 368 1 7 . 1 1 6 6 GLY H H 6 7.623 7.623 8.087 -0.464 17798 369 1 7 . 1 1 7 7 SER HA H 7 4.961 4.961 5.164 -0.203 17798 370 1 7 . 1 1 7 7 SER H H 7 8.559 8.559 8.198 0.361 17798 371 1 7 . 1 1 8 8 CYS HA H 8 5.506 5.506 4.998 0.508 17798 372 1 7 . 1 1 8 8 CYS H H 8 8.704 8.704 8.518 0.186 17798 373 1 7 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.792 0.001 17798 374 1 7 . 1 1 9 9 HIS H H 9 9.649 9.649 9.225 0.424 17798 375 1 7 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.338 0.196 17798 376 1 7 . 1 1 10 10 PHE H H 10 9.201 9.201 8.968 0.233 17798 377 1 7 . 1 1 11 11 GLY H H 11 8.589 8.589 9.189 -0.600 17798 378 1 7 . 1 1 12 12 GLY H H 12 7.998 7.998 7.538 0.460 17798 379 1 7 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.784 0.048 17798 380 1 7 . 1 1 13 13 CYS H H 13 8.547 8.547 8.141 0.406 17798 381 1 7 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.124 0.309 17798 382 1 7 . 1 1 15 15 SER HA H 15 3.967 3.967 3.916 0.051 17798 383 1 7 . 1 1 15 15 SER H H 15 8.345 8.345 8.382 -0.037 17798 384 1 7 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.277 0.028 17798 385 1 7 . 1 1 16 16 HIS H H 16 8.346 8.346 7.035 1.311 17798 386 1 7 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.876 0.660 17798 387 1 7 . 1 1 17 17 LEU H H 17 7.712 7.712 7.378 0.334 17798 388 1 7 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.396 -0.010 17798 389 1 7 . 1 1 18 18 ILE H H 18 8.938 8.938 8.919 0.019 17798 390 1 7 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.425 0.379 17798 391 1 7 . 1 1 19 19 LYS H H 19 8.725 8.725 8.554 0.171 17798 392 1 7 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.013 0.567 17798 393 1 7 . 1 1 20 20 VAL H H 20 8.753 8.753 8.078 0.675 17798 394 1 7 . 1 1 21 21 GLY H H 21 7.544 7.544 7.392 0.152 17798 395 1 7 . 1 1 22 22 SER HA H 22 5.060 5.060 4.778 0.282 17798 396 1 7 . 1 1 22 22 SER H H 22 8.936 8.936 8.549 0.387 17798 397 1 7 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.792 0.076 17798 398 1 7 . 1 1 23 23 CYS H H 23 8.014 8.014 8.633 -0.619 17798 399 1 7 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.517 -0.244 17798 400 1 7 . 1 1 24 24 PHE H H 24 8.236 8.236 8.799 -0.563 17798 401 1 7 . 1 1 25 25 GLY H H 25 8.311 8.311 8.420 -0.109 17798 402 1 7 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.639 -0.176 17798 403 1 7 . 1 1 26 26 PHE H H 26 8.317 8.317 7.887 0.430 17798 404 1 7 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.314 0.417 17798 405 1 7 . 1 1 27 27 ARG H H 27 7.172 7.172 7.689 -0.517 17798 406 1 7 . 1 1 28 28 SER HA H 28 4.716 4.716 4.781 -0.065 17798 407 1 7 . 1 1 28 28 SER H H 28 9.075 9.075 8.286 0.789 17798 408 1 7 . 1 1 29 29 CYS HA H 29 4.819 4.819 4.642 0.177 17798 409 1 7 . 1 1 29 29 CYS H H 29 8.671 8.671 8.749 -0.078 17798 410 1 7 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.364 0.158 17798 411 1 7 . 1 1 30 30 CYS H H 30 9.014 9.014 8.274 0.740 17798 412 1 7 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.856 -0.032 17798 413 1 7 . 1 1 31 31 ALA H H 31 9.668 9.668 8.795 0.873 17798 414 1 7 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.667 0.008 17798 415 1 7 . 1 1 32 32 TRP H H 32 8.444 8.444 8.779 -0.335 17798 416 1 7 . 1 1 33 33 PRO HA H 33 4.255 4.255 3.867 0.388 17798 417 1 7 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.370 0.362 17798 418 1 7 . 1 1 34 34 TRP H H 34 7.301 7.301 7.799 -0.498 17798 419 1 7 . 1 1 35 35 ASN HA H 35 4.789 4.789 5.119 -0.330 17798 420 1 7 . 1 1 35 35 ASN H H 35 8.049 8.049 8.377 -0.328 17798 421 1 8 . 1 1 2 2 PHE HA H 2 4.829 4.829 4.891 -0.062 17798 422 1 8 . 1 1 2 2 PHE H H 2 8.888 8.888 8.411 0.477 17798 423 1 8 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.887 -0.279 17798 424 1 8 . 1 1 3 3 CYS H H 3 8.428 8.428 7.874 0.554 17798 425 1 8 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.195 -0.116 17798 426 1 8 . 1 1 4 4 LYS H H 4 8.527 8.527 9.137 -0.610 17798 427 1 8 . 1 1 5 5 GLY H H 5 8.773 8.773 9.135 -0.362 17798 428 1 8 . 1 1 6 6 GLY H H 6 7.623 7.623 8.322 -0.699 17798 429 1 8 . 1 1 7 7 SER HA H 7 4.961 4.961 4.738 0.223 17798 430 1 8 . 1 1 7 7 SER H H 7 8.559 8.559 8.197 0.362 17798 431 1 8 . 1 1 8 8 CYS HA H 8 5.506 5.506 5.097 0.409 17798 432 1 8 . 1 1 8 8 CYS H H 8 8.704 8.704 8.433 0.271 17798 433 1 8 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.764 0.029 17798 434 1 8 . 1 1 9 9 HIS H H 9 9.649 9.649 9.258 0.391 17798 435 1 8 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.136 0.398 17798 436 1 8 . 1 1 10 10 PHE H H 10 9.201 9.201 8.937 0.264 17798 437 1 8 . 1 1 11 11 GLY H H 11 8.589 8.589 8.943 -0.354 17798 438 1 8 . 1 1 12 12 GLY H H 12 7.998 7.998 7.443 0.555 17798 439 1 8 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.745 0.087 17798 440 1 8 . 1 1 13 13 CYS H H 13 8.547 8.547 8.122 0.425 17798 441 1 8 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.131 0.302 17798 442 1 8 . 1 1 15 15 SER HA H 15 3.967 3.967 3.888 0.079 17798 443 1 8 . 1 1 15 15 SER H H 15 8.345 8.345 8.414 -0.069 17798 444 1 8 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.435 -0.130 17798 445 1 8 . 1 1 16 16 HIS H H 16 8.346 8.346 6.759 1.587 17798 446 1 8 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.844 0.692 17798 447 1 8 . 1 1 17 17 LEU H H 17 7.712 7.712 7.327 0.385 17798 448 1 8 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.313 0.073 17798 449 1 8 . 1 1 18 18 ILE H H 18 8.938 8.938 8.850 0.088 17798 450 1 8 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.504 0.300 17798 451 1 8 . 1 1 19 19 LYS H H 19 8.725 8.725 8.496 0.229 17798 452 1 8 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.062 0.518 17798 453 1 8 . 1 1 20 20 VAL H H 20 8.753 8.753 8.247 0.506 17798 454 1 8 . 1 1 21 21 GLY H H 21 7.544 7.544 7.457 0.087 17798 455 1 8 . 1 1 22 22 SER HA H 22 5.060 5.060 4.987 0.073 17798 456 1 8 . 1 1 22 22 SER H H 22 8.936 8.936 8.459 0.477 17798 457 1 8 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.646 0.222 17798 458 1 8 . 1 1 23 23 CYS H H 23 8.014 8.014 8.845 -0.831 17798 459 1 8 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.303 -0.031 17798 460 1 8 . 1 1 24 24 PHE H H 24 8.236 8.236 8.783 -0.547 17798 461 1 8 . 1 1 25 25 GLY H H 25 8.311 8.311 7.851 0.460 17798 462 1 8 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.392 0.071 17798 463 1 8 . 1 1 26 26 PHE H H 26 8.317 8.317 7.616 0.701 17798 464 1 8 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.450 0.281 17798 465 1 8 . 1 1 27 27 ARG H H 27 7.172 7.172 7.608 -0.436 17798 466 1 8 . 1 1 28 28 SER HA H 28 4.716 4.716 4.769 -0.053 17798 467 1 8 . 1 1 28 28 SER H H 28 9.075 9.075 8.287 0.788 17798 468 1 8 . 1 1 29 29 CYS HA H 29 4.819 4.819 5.041 -0.222 17798 469 1 8 . 1 1 29 29 CYS H H 29 8.671 8.671 8.881 -0.210 17798 470 1 8 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.424 0.098 17798 471 1 8 . 1 1 30 30 CYS H H 30 9.014 9.014 8.896 0.118 17798 472 1 8 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.956 -0.132 17798 473 1 8 . 1 1 31 31 ALA H H 31 9.668 9.668 9.079 0.590 17798 474 1 8 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.709 -0.034 17798 475 1 8 . 1 1 32 32 TRP H H 32 8.444 8.444 8.129 0.315 17798 476 1 8 . 1 1 33 33 PRO HA H 33 4.255 4.255 4.041 0.214 17798 477 1 8 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.368 0.364 17798 478 1 8 . 1 1 34 34 TRP H H 34 7.301 7.301 7.781 -0.480 17798 479 1 8 . 1 1 35 35 ASN HA H 35 4.789 4.789 5.114 -0.325 17798 480 1 8 . 1 1 35 35 ASN H H 35 8.049 8.049 8.313 -0.264 17798 481 1 9 . 1 1 2 2 PHE HA H 2 4.829 4.829 4.903 -0.074 17798 482 1 9 . 1 1 2 2 PHE H H 2 8.888 8.888 8.426 0.462 17798 483 1 9 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.900 -0.292 17798 484 1 9 . 1 1 3 3 CYS H H 3 8.428 8.428 7.774 0.654 17798 485 1 9 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.194 -0.115 17798 486 1 9 . 1 1 4 4 LYS H H 4 8.527 8.527 9.108 -0.581 17798 487 1 9 . 1 1 5 5 GLY H H 5 8.773 8.773 9.068 -0.295 17798 488 1 9 . 1 1 6 6 GLY H H 6 7.623 7.623 8.284 -0.661 17798 489 1 9 . 1 1 7 7 SER HA H 7 4.961 4.961 4.708 0.253 17798 490 1 9 . 1 1 7 7 SER H H 7 8.559 8.559 7.889 0.670 17798 491 1 9 . 1 1 8 8 CYS HA H 8 5.506 5.506 5.155 0.351 17798 492 1 9 . 1 1 8 8 CYS H H 8 8.704 8.704 8.445 0.259 17798 493 1 9 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.907 -0.114 17798 494 1 9 . 1 1 9 9 HIS H H 9 9.649 9.649 9.334 0.315 17798 495 1 9 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.334 0.200 17798 496 1 9 . 1 1 10 10 PHE H H 10 9.201 9.201 8.833 0.368 17798 497 1 9 . 1 1 11 11 GLY H H 11 8.589 8.589 9.033 -0.444 17798 498 1 9 . 1 1 12 12 GLY H H 12 7.998 7.998 7.297 0.701 17798 499 1 9 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.676 0.156 17798 500 1 9 . 1 1 13 13 CYS H H 13 8.547 8.547 8.208 0.339 17798 501 1 9 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.090 0.343 17798 502 1 9 . 1 1 15 15 SER HA H 15 3.967 3.967 3.937 0.030 17798 503 1 9 . 1 1 15 15 SER H H 15 8.345 8.345 8.437 -0.092 17798 504 1 9 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.297 0.008 17798 505 1 9 . 1 1 16 16 HIS H H 16 8.346 8.346 6.979 1.367 17798 506 1 9 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.854 0.682 17798 507 1 9 . 1 1 17 17 LEU H H 17 7.712 7.712 7.365 0.347 17798 508 1 9 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.362 0.024 17798 509 1 9 . 1 1 18 18 ILE H H 18 8.938 8.938 8.905 0.033 17798 510 1 9 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.473 0.331 17798 511 1 9 . 1 1 19 19 LYS H H 19 8.725 8.725 8.519 0.206 17798 512 1 9 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.066 0.514 17798 513 1 9 . 1 1 20 20 VAL H H 20 8.753 8.753 8.200 0.553 17798 514 1 9 . 1 1 21 21 GLY H H 21 7.544 7.544 7.501 0.043 17798 515 1 9 . 1 1 22 22 SER HA H 22 5.060 5.060 4.814 0.246 17798 516 1 9 . 1 1 22 22 SER H H 22 8.936 8.936 8.533 0.403 17798 517 1 9 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.731 0.137 17798 518 1 9 . 1 1 23 23 CYS H H 23 8.014 8.014 8.384 -0.370 17798 519 1 9 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.453 -0.180 17798 520 1 9 . 1 1 24 24 PHE H H 24 8.236 8.236 8.722 -0.486 17798 521 1 9 . 1 1 25 25 GLY H H 25 8.311 8.311 8.430 -0.119 17798 522 1 9 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.617 -0.154 17798 523 1 9 . 1 1 26 26 PHE H H 26 8.317 8.317 7.913 0.404 17798 524 1 9 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.469 0.262 17798 525 1 9 . 1 1 27 27 ARG H H 27 7.172 7.172 7.783 -0.611 17798 526 1 9 . 1 1 28 28 SER HA H 28 4.716 4.716 4.784 -0.068 17798 527 1 9 . 1 1 28 28 SER H H 28 9.075 9.075 8.449 0.626 17798 528 1 9 . 1 1 29 29 CYS HA H 29 4.819 4.819 4.774 0.045 17798 529 1 9 . 1 1 29 29 CYS H H 29 8.671 8.671 8.955 -0.284 17798 530 1 9 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.417 0.105 17798 531 1 9 . 1 1 30 30 CYS H H 30 9.014 9.014 8.882 0.132 17798 532 1 9 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.883 -0.059 17798 533 1 9 . 1 1 31 31 ALA H H 31 9.668 9.668 8.943 0.725 17798 534 1 9 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.677 -0.002 17798 535 1 9 . 1 1 32 32 TRP H H 32 8.444 8.444 8.438 0.006 17798 536 1 9 . 1 1 33 33 PRO HA H 33 4.255 4.255 3.874 0.381 17798 537 1 9 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.374 0.358 17798 538 1 9 . 1 1 34 34 TRP H H 34 7.301 7.301 7.698 -0.397 17798 539 1 9 . 1 1 35 35 ASN HA H 35 4.789 4.789 5.115 -0.326 17798 540 1 9 . 1 1 35 35 ASN H H 35 8.049 8.049 8.320 -0.271 17798 541 1 10 . 1 1 2 2 PHE HA H 2 4.829 4.829 4.687 0.142 17798 542 1 10 . 1 1 2 2 PHE H H 2 8.888 8.888 8.617 0.271 17798 543 1 10 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.886 -0.278 17798 544 1 10 . 1 1 3 3 CYS H H 3 8.428 8.428 8.032 0.396 17798 545 1 10 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.120 -0.041 17798 546 1 10 . 1 1 4 4 LYS H H 4 8.527 8.527 9.168 -0.641 17798 547 1 10 . 1 1 5 5 GLY H H 5 8.773 8.773 9.061 -0.288 17798 548 1 10 . 1 1 6 6 GLY H H 6 7.623 7.623 8.128 -0.505 17798 549 1 10 . 1 1 7 7 SER HA H 7 4.961 4.961 4.814 0.147 17798 550 1 10 . 1 1 7 7 SER H H 7 8.559 8.559 8.098 0.461 17798 551 1 10 . 1 1 8 8 CYS HA H 8 5.506 5.506 5.043 0.463 17798 552 1 10 . 1 1 8 8 CYS H H 8 8.704 8.704 8.482 0.222 17798 553 1 10 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.903 -0.110 17798 554 1 10 . 1 1 9 9 HIS H H 9 9.649 9.649 9.206 0.443 17798 555 1 10 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.322 0.212 17798 556 1 10 . 1 1 10 10 PHE H H 10 9.201 9.201 9.019 0.182 17798 557 1 10 . 1 1 11 11 GLY H H 11 8.589 8.589 9.116 -0.527 17798 558 1 10 . 1 1 12 12 GLY H H 12 7.998 7.998 7.603 0.395 17798 559 1 10 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.864 -0.032 17798 560 1 10 . 1 1 13 13 CYS H H 13 8.547 8.547 8.107 0.440 17798 561 1 10 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.054 0.379 17798 562 1 10 . 1 1 15 15 SER HA H 15 3.967 3.967 3.943 0.024 17798 563 1 10 . 1 1 15 15 SER H H 15 8.345 8.345 8.421 -0.076 17798 564 1 10 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.396 -0.091 17798 565 1 10 . 1 1 16 16 HIS H H 16 8.346 8.346 6.834 1.512 17798 566 1 10 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.812 0.724 17798 567 1 10 . 1 1 17 17 LEU H H 17 7.712 7.712 7.307 0.405 17798 568 1 10 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.312 0.074 17798 569 1 10 . 1 1 18 18 ILE H H 18 8.938 8.938 8.846 0.092 17798 570 1 10 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.356 0.448 17798 571 1 10 . 1 1 19 19 LYS H H 19 8.725 8.725 8.527 0.198 17798 572 1 10 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.108 0.472 17798 573 1 10 . 1 1 20 20 VAL H H 20 8.753 8.753 8.468 0.285 17798 574 1 10 . 1 1 21 21 GLY H H 21 7.544 7.544 7.616 -0.072 17798 575 1 10 . 1 1 22 22 SER HA H 22 5.060 5.060 4.765 0.295 17798 576 1 10 . 1 1 22 22 SER H H 22 8.936 8.936 8.487 0.449 17798 577 1 10 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.749 0.119 17798 578 1 10 . 1 1 23 23 CYS H H 23 8.014 8.014 8.615 -0.601 17798 579 1 10 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.543 -0.270 17798 580 1 10 . 1 1 24 24 PHE H H 24 8.236 8.236 8.825 -0.589 17798 581 1 10 . 1 1 25 25 GLY H H 25 8.311 8.311 8.281 0.030 17798 582 1 10 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.557 -0.094 17798 583 1 10 . 1 1 26 26 PHE H H 26 8.317 8.317 7.765 0.552 17798 584 1 10 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.515 0.216 17798 585 1 10 . 1 1 27 27 ARG H H 27 7.172 7.172 7.708 -0.536 17798 586 1 10 . 1 1 28 28 SER HA H 28 4.716 4.716 4.775 -0.059 17798 587 1 10 . 1 1 28 28 SER H H 28 9.075 9.075 8.487 0.588 17798 588 1 10 . 1 1 29 29 CYS HA H 29 4.819 4.819 4.731 0.088 17798 589 1 10 . 1 1 29 29 CYS H H 29 8.671 8.671 8.888 -0.217 17798 590 1 10 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.525 -0.003 17798 591 1 10 . 1 1 30 30 CYS H H 30 9.014 9.014 8.284 0.730 17798 592 1 10 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.851 -0.027 17798 593 1 10 . 1 1 31 31 ALA H H 31 9.668 9.668 8.984 0.684 17798 594 1 10 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.674 0.001 17798 595 1 10 . 1 1 32 32 TRP H H 32 8.444 8.444 8.099 0.345 17798 596 1 10 . 1 1 33 33 PRO HA H 33 4.255 4.255 4.107 0.148 17798 597 1 10 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.379 0.353 17798 598 1 10 . 1 1 34 34 TRP H H 34 7.301 7.301 7.724 -0.423 17798 599 1 10 . 1 1 35 35 ASN HA H 35 4.789 4.789 4.993 -0.204 17798 600 1 10 . 1 1 35 35 ASN H H 35 8.049 8.049 8.420 -0.371 17798 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 17798 2 1 1 "Average Difference" HA 40 0.314 -0.117 0.295 17798 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17798 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17798 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17798 6 1 1 "Average Difference" HN 32 0.526 -0.155 0.511 17798 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17798 8 1 2 "Average Difference" HA 40 0.373 -0.121 0.358 17798 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17798 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17798 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17798 12 1 2 "Average Difference" HN 32 0.502 -0.135 0.492 17798 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17798 14 1 3 "Average Difference" HA 40 0.301 -0.108 0.285 17798 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17798 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17798 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17798 18 1 3 "Average Difference" HN 32 0.512 -0.137 0.501 17798 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17798 20 1 4 "Average Difference" HA 40 0.308 -0.099 0.296 17798 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17798 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17798 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17798 24 1 4 "Average Difference" HN 32 0.544 -0.143 0.533 17798 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17798 26 1 5 "Average Difference" HA 40 0.349 -0.127 0.330 17798 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17798 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17798 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17798 30 1 5 "Average Difference" HN 32 0.528 -0.115 0.524 17798 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17798 32 1 6 "Average Difference" HA 40 0.356 -0.129 0.336 17798 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17798 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17798 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17798 36 1 6 "Average Difference" HN 32 0.525 -0.111 0.521 17798 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17798 38 1 7 "Average Difference" HA 40 0.363 -0.116 0.349 17798 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17798 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17798 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17798 42 1 7 "Average Difference" HN 32 0.515 -0.130 0.506 17798 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17798 44 1 8 "Average Difference" HA 40 0.304 -0.092 0.293 17798 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17798 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17798 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17798 48 1 8 "Average Difference" HN 32 0.533 -0.149 0.520 17798 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17798 50 1 9 "Average Difference" HA 40 0.359 -0.120 0.343 17798 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17798 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17798 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17798 54 1 9 "Average Difference" HN 32 0.492 -0.125 0.483 17798 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17798 56 1 10 "Average Difference" HA 40 0.390 -0.142 0.368 17798 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17798 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17798 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17798 60 1 10 "Average Difference" HN 32 0.501 -0.120 0.494 17798 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 17798 _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 PHE HA H 2 4.829 4.829 4.856 -0.027 17798 2 1 . 1 1 2 2 PHE H H 2 8.888 8.888 8.487 0.401 17798 3 1 . 1 1 3 3 CYS HA H 3 4.608 4.608 4.863 -0.255 17798 4 1 . 1 1 3 3 CYS H H 3 8.428 8.428 7.858 0.570 17798 5 1 . 1 1 4 4 LYS HA H 4 4.079 4.079 4.177 -0.098 17798 6 1 . 1 1 4 4 LYS H H 4 8.527 8.527 9.128 -0.601 17798 7 1 . 1 1 5 5 GLY H H 5 8.773 8.773 9.052 -0.279 17798 8 1 . 1 1 6 6 GLY H H 6 7.623 7.623 8.230 -0.607 17798 9 1 . 1 1 7 7 SER HA H 7 4.961 4.961 4.853 0.108 17798 10 1 . 1 1 7 7 SER H H 7 8.559 8.559 8.007 0.552 17798 11 1 . 1 1 8 8 CYS HA H 8 5.506 5.506 5.079 0.427 17798 12 1 . 1 1 8 8 CYS H H 8 8.704 8.704 8.539 0.165 17798 13 1 . 1 1 9 9 HIS HA H 9 4.793 4.793 4.848 -0.055 17798 14 1 . 1 1 9 9 HIS H H 9 9.649 9.649 9.235 0.414 17798 15 1 . 1 1 10 10 PHE HA H 10 4.534 4.534 4.264 0.271 17798 16 1 . 1 1 10 10 PHE H H 10 9.201 9.201 8.938 0.263 17798 17 1 . 1 1 11 11 GLY H H 11 8.589 8.589 9.037 -0.448 17798 18 1 . 1 1 12 12 GLY H H 12 7.998 7.998 7.492 0.506 17798 19 1 . 1 1 13 13 CYS HA H 13 4.832 4.832 4.800 0.032 17798 20 1 . 1 1 13 13 CYS H H 13 8.547 8.547 8.117 0.430 17798 21 1 . 1 1 14 14 PRO HA H 14 4.433 4.433 4.110 0.323 17798 22 1 . 1 1 15 15 SER HA H 15 3.967 3.967 3.907 0.060 17798 23 1 . 1 1 15 15 SER H H 15 8.345 8.345 8.394 -0.049 17798 24 1 . 1 1 16 16 HIS HA H 16 4.305 4.305 4.344 -0.039 17798 25 1 . 1 1 16 16 HIS H H 16 8.346 8.346 6.910 1.436 17798 26 1 . 1 1 17 17 LEU HA H 17 4.536 4.536 3.808 0.728 17798 27 1 . 1 1 17 17 LEU H H 17 7.712 7.712 7.307 0.405 17798 28 1 . 1 1 18 18 ILE HA H 18 4.386 4.386 4.358 0.028 17798 29 1 . 1 1 18 18 ILE H H 18 8.938 8.938 8.827 0.111 17798 30 1 . 1 1 19 19 LYS HA H 19 4.804 4.804 4.417 0.388 17798 31 1 . 1 1 19 19 LYS H H 19 8.725 8.725 8.528 0.197 17798 32 1 . 1 1 20 20 VAL HA H 20 4.580 4.580 4.085 0.495 17798 33 1 . 1 1 20 20 VAL H H 20 8.753 8.753 8.356 0.397 17798 34 1 . 1 1 21 21 GLY H H 21 7.544 7.544 7.540 0.004 17798 35 1 . 1 1 22 22 SER HA H 22 5.060 5.060 4.820 0.240 17798 36 1 . 1 1 22 22 SER H H 22 8.936 8.936 8.492 0.444 17798 37 1 . 1 1 23 23 CYS HA H 23 4.868 4.868 4.690 0.178 17798 38 1 . 1 1 23 23 CYS H H 23 8.014 8.014 8.659 -0.645 17798 39 1 . 1 1 24 24 PHE HA H 24 4.273 4.273 4.424 -0.151 17798 40 1 . 1 1 24 24 PHE H H 24 8.236 8.236 8.801 -0.565 17798 41 1 . 1 1 25 25 GLY H H 25 8.311 8.311 8.160 0.151 17798 42 1 . 1 1 26 26 PHE HA H 26 4.463 4.463 4.488 -0.025 17798 43 1 . 1 1 26 26 PHE H H 26 8.317 8.317 7.767 0.550 17798 44 1 . 1 1 27 27 ARG HA H 27 4.731 4.731 4.385 0.346 17798 45 1 . 1 1 27 27 ARG H H 27 7.172 7.172 7.656 -0.484 17798 46 1 . 1 1 28 28 SER HA H 28 4.716 4.716 4.753 -0.037 17798 47 1 . 1 1 28 28 SER H H 28 9.075 9.075 8.312 0.762 17798 48 1 . 1 1 29 29 CYS HA H 29 4.819 4.819 4.797 0.022 17798 49 1 . 1 1 29 29 CYS H H 29 8.671 8.671 8.905 -0.234 17798 50 1 . 1 1 30 30 CYS HA H 30 5.522 5.522 5.482 0.040 17798 51 1 . 1 1 30 30 CYS H H 30 9.014 9.014 8.616 0.398 17798 52 1 . 1 1 31 31 ALA HA H 31 4.824 4.824 4.884 -0.060 17798 53 1 . 1 1 31 31 ALA H H 31 9.668 9.668 8.955 0.714 17798 54 1 . 1 1 32 32 TRP HA H 32 4.675 4.675 4.664 0.011 17798 55 1 . 1 1 32 32 TRP H H 32 8.444 8.444 8.375 0.069 17798 56 1 . 1 1 33 33 PRO HA H 33 4.255 4.255 3.953 0.302 17798 57 1 . 1 1 34 34 TRP HA H 34 4.732 4.732 4.374 0.358 17798 58 1 . 1 1 34 34 TRP H H 34 7.301 7.301 7.773 -0.472 17798 59 1 . 1 1 35 35 ASN HA H 35 4.789 4.789 5.078 -0.289 17798 60 1 . 1 1 35 35 ASN H H 35 8.049 8.049 8.380 -0.331 17798 stop_ save_