data_18536 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18536 _Entry.PDB_ID 2LUR 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 18536 _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 GLY H H 2 8.196 8.196 8.208 -0.012 18536 2 1 1 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.839 -0.320 18536 3 1 1 . 1 1 3 3 GLU H H 3 7.892 7.892 7.844 0.048 18536 4 1 1 . 1 1 4 4 THR HA H 4 4.597 4.597 4.634 -0.037 18536 5 1 1 . 1 1 4 4 THR H H 4 8.143 8.143 8.268 -0.125 18536 6 1 1 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.958 -0.206 18536 7 1 1 . 1 1 5 5 CYS H H 5 8.564 8.564 8.501 0.063 18536 8 1 1 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.524 0.438 18536 9 1 1 . 1 1 6 6 VAL H H 6 8.369 8.369 7.645 0.724 18536 10 1 1 . 1 1 7 7 GLY H H 7 8.803 8.803 8.275 0.528 18536 11 1 1 . 1 1 8 8 GLY H H 8 8.267 8.267 8.143 0.124 18536 12 1 1 . 1 1 9 9 THR HA H 9 4.624 4.624 4.520 0.104 18536 13 1 1 . 1 1 9 9 THR H H 9 7.680 7.680 7.763 -0.083 18536 14 1 1 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.660 0.085 18536 15 1 1 . 1 1 10 10 CYS H H 10 8.068 8.068 8.689 -0.621 18536 16 1 1 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.729 -0.139 18536 17 1 1 . 1 1 11 11 ASN H H 11 8.739 8.739 8.649 0.090 18536 18 1 1 . 1 1 12 12 THR HA H 12 4.531 4.531 4.792 -0.261 18536 19 1 1 . 1 1 12 12 THR H H 12 7.972 7.972 7.852 0.120 18536 20 1 1 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.316 -0.090 18536 21 1 1 . 1 1 14 14 GLY H H 14 8.579 8.579 8.458 0.121 18536 22 1 1 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.626 0.285 18536 23 1 1 . 1 1 15 15 CYS H H 15 7.677 7.677 7.802 -0.125 18536 24 1 1 . 1 1 16 16 THR HA H 16 4.464 4.464 4.741 -0.277 18536 25 1 1 . 1 1 16 16 THR H H 16 9.017 9.017 8.450 0.567 18536 26 1 1 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.506 0.082 18536 27 1 1 . 1 1 17 17 CYS H H 17 9.050 9.050 8.847 0.203 18536 28 1 1 . 1 1 18 18 SER HA H 18 4.661 4.661 4.811 -0.150 18536 29 1 1 . 1 1 18 18 SER H H 18 8.938 8.938 8.594 0.344 18536 30 1 1 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.633 -0.526 18536 31 1 1 . 1 1 19 19 TRP H H 19 8.380 8.380 7.727 0.653 18536 32 1 1 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.737 0.629 18536 33 1 1 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.097 0.139 18536 34 1 1 . 1 1 21 21 VAL H H 21 8.226 8.226 7.376 0.850 18536 35 1 1 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.797 0.190 18536 36 1 1 . 1 1 22 22 CYS H H 22 7.975 7.975 8.218 -0.243 18536 37 1 1 . 1 1 23 23 GLY H H 23 8.748 8.748 8.908 -0.160 18536 38 1 1 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.169 -0.398 18536 39 1 1 . 1 1 24 24 HIS H H 24 8.346 8.346 8.013 0.333 18536 40 1 1 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.698 -0.237 18536 41 1 1 . 1 1 25 25 PHE H H 25 8.411 8.411 8.830 -0.419 18536 42 1 1 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.023 -0.144 18536 43 1 1 . 1 1 26 26 ARG H H 26 8.274 8.274 8.320 -0.046 18536 44 1 1 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.634 0.043 18536 45 1 1 . 1 1 27 27 TRP H H 27 7.699 7.699 7.583 0.116 18536 46 1 1 . 1 1 28 28 GLY H H 28 7.922 7.922 8.742 -0.820 18536 47 1 2 . 1 1 2 2 GLY H H 2 8.196 8.196 8.406 -0.210 18536 48 1 2 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.697 -0.178 18536 49 1 2 . 1 1 3 3 GLU H H 3 7.892 7.892 7.980 -0.088 18536 50 1 2 . 1 1 4 4 THR HA H 4 4.597 4.597 4.489 0.108 18536 51 1 2 . 1 1 4 4 THR H H 4 8.143 8.143 8.252 -0.109 18536 52 1 2 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.744 0.008 18536 53 1 2 . 1 1 5 5 CYS H H 5 8.564 8.564 8.875 -0.311 18536 54 1 2 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.468 0.494 18536 55 1 2 . 1 1 6 6 VAL H H 6 8.369 8.369 8.106 0.263 18536 56 1 2 . 1 1 7 7 GLY H H 7 8.803 8.803 8.291 0.512 18536 57 1 2 . 1 1 8 8 GLY H H 8 8.267 8.267 7.866 0.401 18536 58 1 2 . 1 1 9 9 THR HA H 9 4.624 4.624 4.507 0.117 18536 59 1 2 . 1 1 9 9 THR H H 9 7.680 7.680 8.047 -0.367 18536 60 1 2 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.890 -0.145 18536 61 1 2 . 1 1 10 10 CYS H H 10 8.068 8.068 8.140 -0.072 18536 62 1 2 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.870 -0.280 18536 63 1 2 . 1 1 11 11 ASN H H 11 8.739 8.739 8.246 0.493 18536 64 1 2 . 1 1 12 12 THR HA H 12 4.531 4.531 4.793 -0.262 18536 65 1 2 . 1 1 12 12 THR H H 12 7.972 7.972 8.230 -0.258 18536 66 1 2 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.379 -0.153 18536 67 1 2 . 1 1 14 14 GLY H H 14 8.579 8.579 8.484 0.095 18536 68 1 2 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.821 0.090 18536 69 1 2 . 1 1 15 15 CYS H H 15 7.677 7.677 7.845 -0.168 18536 70 1 2 . 1 1 16 16 THR HA H 16 4.464 4.464 4.602 -0.138 18536 71 1 2 . 1 1 16 16 THR H H 16 9.017 9.017 8.000 1.018 18536 72 1 2 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.720 -0.132 18536 73 1 2 . 1 1 17 17 CYS H H 17 9.050 9.050 8.226 0.824 18536 74 1 2 . 1 1 18 18 SER HA H 18 4.661 4.661 4.841 -0.180 18536 75 1 2 . 1 1 18 18 SER H H 18 8.938 8.938 8.640 0.298 18536 76 1 2 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.530 -0.423 18536 77 1 2 . 1 1 19 19 TRP H H 19 8.380 8.380 7.828 0.552 18536 78 1 2 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.780 0.586 18536 79 1 2 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.808 0.428 18536 80 1 2 . 1 1 21 21 VAL H H 21 8.226 8.226 7.459 0.767 18536 81 1 2 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.653 0.334 18536 82 1 2 . 1 1 22 22 CYS H H 22 7.975 7.975 8.094 -0.119 18536 83 1 2 . 1 1 23 23 GLY H H 23 8.748 8.748 8.731 0.017 18536 84 1 2 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.972 -0.201 18536 85 1 2 . 1 1 24 24 HIS H H 24 8.346 8.346 8.129 0.217 18536 86 1 2 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.644 -0.183 18536 87 1 2 . 1 1 25 25 PHE H H 25 8.411 8.411 8.809 -0.398 18536 88 1 2 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.944 -0.065 18536 89 1 2 . 1 1 26 26 ARG H H 26 8.274 8.274 8.319 -0.045 18536 90 1 2 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.563 0.114 18536 91 1 2 . 1 1 27 27 TRP H H 27 7.699 7.699 7.537 0.162 18536 92 1 2 . 1 1 28 28 GLY H H 28 7.922 7.922 8.683 -0.761 18536 93 1 3 . 1 1 2 2 GLY H H 2 8.196 8.196 8.390 -0.194 18536 94 1 3 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.788 -0.269 18536 95 1 3 . 1 1 3 3 GLU H H 3 7.892 7.892 7.846 0.046 18536 96 1 3 . 1 1 4 4 THR HA H 4 4.597 4.597 4.486 0.111 18536 97 1 3 . 1 1 4 4 THR H H 4 8.143 8.143 8.364 -0.221 18536 98 1 3 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.811 -0.059 18536 99 1 3 . 1 1 5 5 CYS H H 5 8.564 8.564 8.620 -0.056 18536 100 1 3 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.466 0.496 18536 101 1 3 . 1 1 6 6 VAL H H 6 8.369 8.369 8.346 0.023 18536 102 1 3 . 1 1 7 7 GLY H H 7 8.803 8.803 8.330 0.473 18536 103 1 3 . 1 1 8 8 GLY H H 8 8.267 8.267 7.994 0.273 18536 104 1 3 . 1 1 9 9 THR HA H 9 4.624 4.624 4.568 0.056 18536 105 1 3 . 1 1 9 9 THR H H 9 7.680 7.680 7.898 -0.218 18536 106 1 3 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.725 0.020 18536 107 1 3 . 1 1 10 10 CYS H H 10 8.068 8.068 8.532 -0.464 18536 108 1 3 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.904 -0.314 18536 109 1 3 . 1 1 11 11 ASN H H 11 8.739 8.739 8.373 0.366 18536 110 1 3 . 1 1 12 12 THR HA H 12 4.531 4.531 4.773 -0.242 18536 111 1 3 . 1 1 12 12 THR H H 12 7.972 7.972 8.000 -0.028 18536 112 1 3 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.348 -0.122 18536 113 1 3 . 1 1 14 14 GLY H H 14 8.579 8.579 8.402 0.177 18536 114 1 3 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.787 0.124 18536 115 1 3 . 1 1 15 15 CYS H H 15 7.677 7.677 7.914 -0.237 18536 116 1 3 . 1 1 16 16 THR HA H 16 4.464 4.464 4.603 -0.139 18536 117 1 3 . 1 1 16 16 THR H H 16 9.017 9.017 8.151 0.866 18536 118 1 3 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.621 -0.033 18536 119 1 3 . 1 1 17 17 CYS H H 17 9.050 9.050 8.290 0.760 18536 120 1 3 . 1 1 18 18 SER HA H 18 4.661 4.661 4.780 -0.119 18536 121 1 3 . 1 1 18 18 SER H H 18 8.938 8.938 8.528 0.410 18536 122 1 3 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.630 -0.523 18536 123 1 3 . 1 1 19 19 TRP H H 19 8.380 8.380 7.676 0.704 18536 124 1 3 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.751 0.615 18536 125 1 3 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.853 0.383 18536 126 1 3 . 1 1 21 21 VAL H H 21 8.226 8.226 7.406 0.820 18536 127 1 3 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.684 0.303 18536 128 1 3 . 1 1 22 22 CYS H H 22 7.975 7.975 8.076 -0.101 18536 129 1 3 . 1 1 23 23 GLY H H 23 8.748 8.748 8.707 0.041 18536 130 1 3 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.943 -0.172 18536 131 1 3 . 1 1 24 24 HIS H H 24 8.346 8.346 8.010 0.336 18536 132 1 3 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.698 -0.237 18536 133 1 3 . 1 1 25 25 PHE H H 25 8.411 8.411 8.829 -0.418 18536 134 1 3 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.105 -0.226 18536 135 1 3 . 1 1 26 26 ARG H H 26 8.274 8.274 8.277 -0.003 18536 136 1 3 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.658 0.019 18536 137 1 3 . 1 1 27 27 TRP H H 27 7.699 7.699 7.539 0.160 18536 138 1 3 . 1 1 28 28 GLY H H 28 7.922 7.922 8.633 -0.711 18536 139 1 4 . 1 1 2 2 GLY H H 2 8.196 8.196 8.304 -0.108 18536 140 1 4 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.816 -0.297 18536 141 1 4 . 1 1 3 3 GLU H H 3 7.892 7.892 7.826 0.066 18536 142 1 4 . 1 1 4 4 THR HA H 4 4.597 4.597 4.601 -0.004 18536 143 1 4 . 1 1 4 4 THR H H 4 8.143 8.143 8.349 -0.206 18536 144 1 4 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.963 -0.211 18536 145 1 4 . 1 1 5 5 CYS H H 5 8.564 8.564 8.534 0.030 18536 146 1 4 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.723 0.239 18536 147 1 4 . 1 1 6 6 VAL H H 6 8.369 8.369 8.499 -0.130 18536 148 1 4 . 1 1 7 7 GLY H H 7 8.803 8.803 8.129 0.674 18536 149 1 4 . 1 1 8 8 GLY H H 8 8.267 8.267 7.914 0.353 18536 150 1 4 . 1 1 9 9 THR HA H 9 4.624 4.624 4.500 0.124 18536 151 1 4 . 1 1 9 9 THR H H 9 7.680 7.680 7.929 -0.249 18536 152 1 4 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.630 0.115 18536 153 1 4 . 1 1 10 10 CYS H H 10 8.068 8.068 8.110 -0.042 18536 154 1 4 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.651 -0.061 18536 155 1 4 . 1 1 11 11 ASN H H 11 8.739 8.739 8.280 0.459 18536 156 1 4 . 1 1 12 12 THR HA H 12 4.531 4.531 4.720 -0.189 18536 157 1 4 . 1 1 12 12 THR H H 12 7.972 7.972 7.949 0.024 18536 158 1 4 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.395 -0.169 18536 159 1 4 . 1 1 14 14 GLY H H 14 8.579 8.579 8.543 0.036 18536 160 1 4 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.857 0.054 18536 161 1 4 . 1 1 15 15 CYS H H 15 7.677 7.677 7.863 -0.186 18536 162 1 4 . 1 1 16 16 THR HA H 16 4.464 4.464 4.815 -0.351 18536 163 1 4 . 1 1 16 16 THR H H 16 9.017 9.017 8.609 0.408 18536 164 1 4 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.610 -0.022 18536 165 1 4 . 1 1 17 17 CYS H H 17 9.050 9.050 8.793 0.257 18536 166 1 4 . 1 1 18 18 SER HA H 18 4.661 4.661 4.802 -0.141 18536 167 1 4 . 1 1 18 18 SER H H 18 8.938 8.938 8.582 0.356 18536 168 1 4 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.644 -0.537 18536 169 1 4 . 1 1 19 19 TRP H H 19 8.380 8.380 8.042 0.338 18536 170 1 4 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.758 0.608 18536 171 1 4 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.093 0.143 18536 172 1 4 . 1 1 21 21 VAL H H 21 8.226 8.226 7.443 0.783 18536 173 1 4 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.897 0.090 18536 174 1 4 . 1 1 22 22 CYS H H 22 7.975 7.975 8.196 -0.221 18536 175 1 4 . 1 1 23 23 GLY H H 23 8.748 8.748 8.865 -0.117 18536 176 1 4 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.293 -0.522 18536 177 1 4 . 1 1 24 24 HIS H H 24 8.346 8.346 7.842 0.504 18536 178 1 4 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.737 -0.276 18536 179 1 4 . 1 1 25 25 PHE H H 25 8.411 8.411 8.932 -0.521 18536 180 1 4 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.085 -0.206 18536 181 1 4 . 1 1 26 26 ARG H H 26 8.274 8.274 8.311 -0.037 18536 182 1 4 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.563 0.114 18536 183 1 4 . 1 1 27 27 TRP H H 27 7.699 7.699 7.543 0.156 18536 184 1 4 . 1 1 28 28 GLY H H 28 7.922 7.922 8.775 -0.853 18536 185 1 5 . 1 1 2 2 GLY H H 2 8.196 8.196 8.203 -0.007 18536 186 1 5 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.725 -0.206 18536 187 1 5 . 1 1 3 3 GLU H H 3 7.892 7.892 7.876 0.016 18536 188 1 5 . 1 1 4 4 THR HA H 4 4.597 4.597 4.682 -0.085 18536 189 1 5 . 1 1 4 4 THR H H 4 8.143 8.143 8.256 -0.113 18536 190 1 5 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.945 -0.193 18536 191 1 5 . 1 1 5 5 CYS H H 5 8.564 8.564 8.550 0.014 18536 192 1 5 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.692 0.270 18536 193 1 5 . 1 1 6 6 VAL H H 6 8.369 8.369 7.972 0.397 18536 194 1 5 . 1 1 7 7 GLY H H 7 8.803 8.803 8.284 0.519 18536 195 1 5 . 1 1 8 8 GLY H H 8 8.267 8.267 8.141 0.126 18536 196 1 5 . 1 1 9 9 THR HA H 9 4.624 4.624 4.604 0.020 18536 197 1 5 . 1 1 9 9 THR H H 9 7.680 7.680 7.683 -0.003 18536 198 1 5 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.644 0.101 18536 199 1 5 . 1 1 10 10 CYS H H 10 8.068 8.068 8.763 -0.695 18536 200 1 5 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.695 -0.105 18536 201 1 5 . 1 1 11 11 ASN H H 11 8.739 8.739 8.502 0.237 18536 202 1 5 . 1 1 12 12 THR HA H 12 4.531 4.531 4.803 -0.272 18536 203 1 5 . 1 1 12 12 THR H H 12 7.972 7.972 7.859 0.113 18536 204 1 5 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.314 -0.088 18536 205 1 5 . 1 1 14 14 GLY H H 14 8.579 8.579 8.513 0.066 18536 206 1 5 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.690 0.221 18536 207 1 5 . 1 1 15 15 CYS H H 15 7.677 7.677 7.882 -0.205 18536 208 1 5 . 1 1 16 16 THR HA H 16 4.464 4.464 4.648 -0.184 18536 209 1 5 . 1 1 16 16 THR H H 16 9.017 9.017 8.402 0.615 18536 210 1 5 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.514 0.074 18536 211 1 5 . 1 1 17 17 CYS H H 17 9.050 9.050 8.897 0.153 18536 212 1 5 . 1 1 18 18 SER HA H 18 4.661 4.661 4.829 -0.168 18536 213 1 5 . 1 1 18 18 SER H H 18 8.938 8.938 8.498 0.440 18536 214 1 5 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.621 -0.514 18536 215 1 5 . 1 1 19 19 TRP H H 19 8.380 8.380 7.808 0.572 18536 216 1 5 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.718 0.648 18536 217 1 5 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.073 0.163 18536 218 1 5 . 1 1 21 21 VAL H H 21 8.226 8.226 7.472 0.754 18536 219 1 5 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.873 0.114 18536 220 1 5 . 1 1 22 22 CYS H H 22 7.975 7.975 8.216 -0.241 18536 221 1 5 . 1 1 23 23 GLY H H 23 8.748 8.748 8.804 -0.056 18536 222 1 5 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.006 -0.235 18536 223 1 5 . 1 1 24 24 HIS H H 24 8.346 8.346 7.885 0.461 18536 224 1 5 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.635 -0.174 18536 225 1 5 . 1 1 25 25 PHE H H 25 8.411 8.411 8.891 -0.480 18536 226 1 5 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.940 -0.061 18536 227 1 5 . 1 1 26 26 ARG H H 26 8.274 8.274 8.307 -0.033 18536 228 1 5 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.581 0.096 18536 229 1 5 . 1 1 27 27 TRP H H 27 7.699 7.699 7.544 0.155 18536 230 1 5 . 1 1 28 28 GLY H H 28 7.922 7.922 8.648 -0.726 18536 231 1 6 . 1 1 2 2 GLY H H 2 8.196 8.196 8.331 -0.135 18536 232 1 6 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.679 -0.160 18536 233 1 6 . 1 1 3 3 GLU H H 3 7.892 7.892 7.981 -0.089 18536 234 1 6 . 1 1 4 4 THR HA H 4 4.597 4.597 4.481 0.116 18536 235 1 6 . 1 1 4 4 THR H H 4 8.143 8.143 8.156 -0.013 18536 236 1 6 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.739 0.013 18536 237 1 6 . 1 1 5 5 CYS H H 5 8.564 8.564 8.727 -0.163 18536 238 1 6 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.504 0.458 18536 239 1 6 . 1 1 6 6 VAL H H 6 8.369 8.369 8.376 -0.007 18536 240 1 6 . 1 1 7 7 GLY H H 7 8.803 8.803 8.251 0.552 18536 241 1 6 . 1 1 8 8 GLY H H 8 8.267 8.267 7.982 0.285 18536 242 1 6 . 1 1 9 9 THR HA H 9 4.624 4.624 4.506 0.118 18536 243 1 6 . 1 1 9 9 THR H H 9 7.680 7.680 7.811 -0.131 18536 244 1 6 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.785 -0.040 18536 245 1 6 . 1 1 10 10 CYS H H 10 8.068 8.068 8.641 -0.573 18536 246 1 6 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.822 -0.232 18536 247 1 6 . 1 1 11 11 ASN H H 11 8.739 8.739 8.691 0.048 18536 248 1 6 . 1 1 12 12 THR HA H 12 4.531 4.531 4.689 -0.158 18536 249 1 6 . 1 1 12 12 THR H H 12 7.972 7.972 7.783 0.189 18536 250 1 6 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.344 -0.118 18536 251 1 6 . 1 1 14 14 GLY H H 14 8.579 8.579 8.507 0.072 18536 252 1 6 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.716 0.195 18536 253 1 6 . 1 1 15 15 CYS H H 15 7.677 7.677 7.907 -0.230 18536 254 1 6 . 1 1 16 16 THR HA H 16 4.464 4.464 4.643 -0.179 18536 255 1 6 . 1 1 16 16 THR H H 16 9.017 9.017 8.059 0.958 18536 256 1 6 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.565 0.023 18536 257 1 6 . 1 1 17 17 CYS H H 17 9.050 9.050 8.368 0.682 18536 258 1 6 . 1 1 18 18 SER HA H 18 4.661 4.661 4.836 -0.175 18536 259 1 6 . 1 1 18 18 SER H H 18 8.938 8.938 8.556 0.382 18536 260 1 6 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.549 -0.442 18536 261 1 6 . 1 1 19 19 TRP H H 19 8.380 8.380 7.716 0.664 18536 262 1 6 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.758 0.608 18536 263 1 6 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.892 0.344 18536 264 1 6 . 1 1 21 21 VAL H H 21 8.226 8.226 7.372 0.854 18536 265 1 6 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.642 0.345 18536 266 1 6 . 1 1 22 22 CYS H H 22 7.975 7.975 8.069 -0.094 18536 267 1 6 . 1 1 23 23 GLY H H 23 8.748 8.748 8.790 -0.042 18536 268 1 6 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.905 -0.134 18536 269 1 6 . 1 1 24 24 HIS H H 24 8.346 8.346 8.006 0.340 18536 270 1 6 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.513 -0.052 18536 271 1 6 . 1 1 25 25 PHE H H 25 8.411 8.411 8.776 -0.365 18536 272 1 6 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.024 -0.145 18536 273 1 6 . 1 1 26 26 ARG H H 26 8.274 8.274 8.264 0.010 18536 274 1 6 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.572 0.105 18536 275 1 6 . 1 1 27 27 TRP H H 27 7.699 7.699 7.574 0.125 18536 276 1 6 . 1 1 28 28 GLY H H 28 7.922 7.922 8.756 -0.834 18536 277 1 7 . 1 1 2 2 GLY H H 2 8.196 8.196 8.236 -0.040 18536 278 1 7 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.828 -0.309 18536 279 1 7 . 1 1 3 3 GLU H H 3 7.892 7.892 7.833 0.059 18536 280 1 7 . 1 1 4 4 THR HA H 4 4.597 4.597 4.564 0.033 18536 281 1 7 . 1 1 4 4 THR H H 4 8.143 8.143 8.270 -0.127 18536 282 1 7 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.934 -0.182 18536 283 1 7 . 1 1 5 5 CYS H H 5 8.564 8.564 8.437 0.127 18536 284 1 7 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.595 0.367 18536 285 1 7 . 1 1 6 6 VAL H H 6 8.369 8.369 7.678 0.691 18536 286 1 7 . 1 1 7 7 GLY H H 7 8.803 8.803 8.346 0.457 18536 287 1 7 . 1 1 8 8 GLY H H 8 8.267 8.267 8.204 0.063 18536 288 1 7 . 1 1 9 9 THR HA H 9 4.624 4.624 4.530 0.094 18536 289 1 7 . 1 1 9 9 THR H H 9 7.680 7.680 7.756 -0.076 18536 290 1 7 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.666 0.079 18536 291 1 7 . 1 1 10 10 CYS H H 10 8.068 8.068 8.641 -0.573 18536 292 1 7 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.957 -0.367 18536 293 1 7 . 1 1 11 11 ASN H H 11 8.739 8.739 8.770 -0.031 18536 294 1 7 . 1 1 12 12 THR HA H 12 4.531 4.531 4.769 -0.238 18536 295 1 7 . 1 1 12 12 THR H H 12 7.972 7.972 7.802 0.170 18536 296 1 7 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.360 -0.134 18536 297 1 7 . 1 1 14 14 GLY H H 14 8.579 8.579 8.471 0.108 18536 298 1 7 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.621 0.290 18536 299 1 7 . 1 1 15 15 CYS H H 15 7.677 7.677 7.788 -0.111 18536 300 1 7 . 1 1 16 16 THR HA H 16 4.464 4.464 4.785 -0.321 18536 301 1 7 . 1 1 16 16 THR H H 16 9.017 9.017 8.625 0.392 18536 302 1 7 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.570 0.018 18536 303 1 7 . 1 1 17 17 CYS H H 17 9.050 9.050 8.729 0.321 18536 304 1 7 . 1 1 18 18 SER HA H 18 4.661 4.661 4.785 -0.124 18536 305 1 7 . 1 1 18 18 SER H H 18 8.938 8.938 8.611 0.327 18536 306 1 7 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.568 -0.461 18536 307 1 7 . 1 1 19 19 TRP H H 19 8.380 8.380 7.824 0.556 18536 308 1 7 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.714 0.652 18536 309 1 7 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.087 0.149 18536 310 1 7 . 1 1 21 21 VAL H H 21 8.226 8.226 7.461 0.765 18536 311 1 7 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.810 0.177 18536 312 1 7 . 1 1 22 22 CYS H H 22 7.975 7.975 8.236 -0.261 18536 313 1 7 . 1 1 23 23 GLY H H 23 8.748 8.748 8.795 -0.047 18536 314 1 7 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.029 -0.258 18536 315 1 7 . 1 1 24 24 HIS H H 24 8.346 8.346 8.107 0.239 18536 316 1 7 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.591 -0.130 18536 317 1 7 . 1 1 25 25 PHE H H 25 8.411 8.411 8.700 -0.289 18536 318 1 7 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.957 -0.078 18536 319 1 7 . 1 1 26 26 ARG H H 26 8.274 8.274 8.332 -0.058 18536 320 1 7 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.562 0.115 18536 321 1 7 . 1 1 27 27 TRP H H 27 7.699 7.699 7.539 0.160 18536 322 1 7 . 1 1 28 28 GLY H H 28 7.922 7.922 8.730 -0.808 18536 323 1 8 . 1 1 2 2 GLY H H 2 8.196 8.196 8.230 -0.034 18536 324 1 8 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.739 -0.220 18536 325 1 8 . 1 1 3 3 GLU H H 3 7.892 7.892 7.977 -0.085 18536 326 1 8 . 1 1 4 4 THR HA H 4 4.597 4.597 4.516 0.081 18536 327 1 8 . 1 1 4 4 THR H H 4 8.143 8.143 8.293 -0.150 18536 328 1 8 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.769 -0.017 18536 329 1 8 . 1 1 5 5 CYS H H 5 8.564 8.564 8.956 -0.392 18536 330 1 8 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.278 0.684 18536 331 1 8 . 1 1 6 6 VAL H H 6 8.369 8.369 7.696 0.673 18536 332 1 8 . 1 1 7 7 GLY H H 7 8.803 8.803 8.394 0.409 18536 333 1 8 . 1 1 8 8 GLY H H 8 8.267 8.267 8.055 0.212 18536 334 1 8 . 1 1 9 9 THR HA H 9 4.624 4.624 4.580 0.044 18536 335 1 8 . 1 1 9 9 THR H H 9 7.680 7.680 7.721 -0.041 18536 336 1 8 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.808 -0.063 18536 337 1 8 . 1 1 10 10 CYS H H 10 8.068 8.068 8.614 -0.546 18536 338 1 8 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.557 0.033 18536 339 1 8 . 1 1 11 11 ASN H H 11 8.739 8.739 8.116 0.623 18536 340 1 8 . 1 1 12 12 THR HA H 12 4.531 4.531 4.830 -0.299 18536 341 1 8 . 1 1 12 12 THR H H 12 7.972 7.972 8.166 -0.194 18536 342 1 8 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.365 -0.139 18536 343 1 8 . 1 1 14 14 GLY H H 14 8.579 8.579 8.519 0.060 18536 344 1 8 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.714 0.197 18536 345 1 8 . 1 1 15 15 CYS H H 15 7.677 7.677 7.800 -0.123 18536 346 1 8 . 1 1 16 16 THR HA H 16 4.464 4.464 4.633 -0.169 18536 347 1 8 . 1 1 16 16 THR H H 16 9.017 9.017 8.110 0.907 18536 348 1 8 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.287 0.301 18536 349 1 8 . 1 1 17 17 CYS H H 17 9.050 9.050 8.890 0.160 18536 350 1 8 . 1 1 18 18 SER HA H 18 4.661 4.661 4.771 -0.110 18536 351 1 8 . 1 1 18 18 SER H H 18 8.938 8.938 8.503 0.435 18536 352 1 8 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.511 -0.404 18536 353 1 8 . 1 1 19 19 TRP H H 19 8.380 8.380 7.904 0.476 18536 354 1 8 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.767 0.599 18536 355 1 8 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.836 0.400 18536 356 1 8 . 1 1 21 21 VAL H H 21 8.226 8.226 7.464 0.762 18536 357 1 8 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.677 0.310 18536 358 1 8 . 1 1 22 22 CYS H H 22 7.975 7.975 8.111 -0.136 18536 359 1 8 . 1 1 23 23 GLY H H 23 8.748 8.748 8.758 -0.010 18536 360 1 8 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.028 -0.257 18536 361 1 8 . 1 1 24 24 HIS H H 24 8.346 8.346 7.675 0.671 18536 362 1 8 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.714 -0.253 18536 363 1 8 . 1 1 25 25 PHE H H 25 8.411 8.411 8.778 -0.367 18536 364 1 8 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.942 -0.063 18536 365 1 8 . 1 1 26 26 ARG H H 26 8.274 8.274 8.208 0.066 18536 366 1 8 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.582 0.095 18536 367 1 8 . 1 1 27 27 TRP H H 27 7.699 7.699 7.553 0.146 18536 368 1 8 . 1 1 28 28 GLY H H 28 7.922 7.922 8.823 -0.901 18536 369 1 9 . 1 1 2 2 GLY H H 2 8.196 8.196 8.311 -0.115 18536 370 1 9 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.742 -0.223 18536 371 1 9 . 1 1 3 3 GLU H H 3 7.892 7.892 7.850 0.042 18536 372 1 9 . 1 1 4 4 THR HA H 4 4.597 4.597 4.568 0.029 18536 373 1 9 . 1 1 4 4 THR H H 4 8.143 8.143 8.270 -0.127 18536 374 1 9 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.951 -0.199 18536 375 1 9 . 1 1 5 5 CYS H H 5 8.564 8.564 8.445 0.119 18536 376 1 9 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.689 0.273 18536 377 1 9 . 1 1 6 6 VAL H H 6 8.369 8.369 7.370 0.999 18536 378 1 9 . 1 1 7 7 GLY H H 7 8.803 8.803 8.328 0.475 18536 379 1 9 . 1 1 8 8 GLY H H 8 8.267 8.267 8.172 0.095 18536 380 1 9 . 1 1 9 9 THR HA H 9 4.624 4.624 4.565 0.059 18536 381 1 9 . 1 1 9 9 THR H H 9 7.680 7.680 7.659 0.021 18536 382 1 9 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.648 0.097 18536 383 1 9 . 1 1 10 10 CYS H H 10 8.068 8.068 8.602 -0.534 18536 384 1 9 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.653 -0.063 18536 385 1 9 . 1 1 11 11 ASN H H 11 8.739 8.739 8.513 0.226 18536 386 1 9 . 1 1 12 12 THR HA H 12 4.531 4.531 4.784 -0.253 18536 387 1 9 . 1 1 12 12 THR H H 12 7.972 7.972 7.952 0.020 18536 388 1 9 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.332 -0.106 18536 389 1 9 . 1 1 14 14 GLY H H 14 8.579 8.579 8.487 0.092 18536 390 1 9 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.641 0.270 18536 391 1 9 . 1 1 15 15 CYS H H 15 7.677 7.677 7.733 -0.056 18536 392 1 9 . 1 1 16 16 THR HA H 16 4.464 4.464 4.692 -0.228 18536 393 1 9 . 1 1 16 16 THR H H 16 9.017 9.017 8.285 0.732 18536 394 1 9 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.233 0.355 18536 395 1 9 . 1 1 17 17 CYS H H 17 9.050 9.050 9.069 -0.019 18536 396 1 9 . 1 1 18 18 SER HA H 18 4.661 4.661 4.824 -0.163 18536 397 1 9 . 1 1 18 18 SER H H 18 8.938 8.938 8.498 0.440 18536 398 1 9 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.626 -0.519 18536 399 1 9 . 1 1 19 19 TRP H H 19 8.380 8.380 7.757 0.623 18536 400 1 9 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.708 0.658 18536 401 1 9 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.090 0.146 18536 402 1 9 . 1 1 21 21 VAL H H 21 8.226 8.226 7.392 0.834 18536 403 1 9 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.720 0.267 18536 404 1 9 . 1 1 22 22 CYS H H 22 7.975 7.975 8.163 -0.188 18536 405 1 9 . 1 1 23 23 GLY H H 23 8.748 8.748 8.816 -0.068 18536 406 1 9 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.462 0.309 18536 407 1 9 . 1 1 24 24 HIS H H 24 8.346 8.346 7.871 0.475 18536 408 1 9 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.863 -0.402 18536 409 1 9 . 1 1 25 25 PHE H H 25 8.411 8.411 7.996 0.415 18536 410 1 9 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.102 -0.223 18536 411 1 9 . 1 1 26 26 ARG H H 26 8.274 8.274 8.132 0.142 18536 412 1 9 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.589 0.088 18536 413 1 9 . 1 1 27 27 TRP H H 27 7.699 7.699 7.476 0.223 18536 414 1 9 . 1 1 28 28 GLY H H 28 7.922 7.922 8.683 -0.761 18536 415 1 10 . 1 1 2 2 GLY H H 2 8.196 8.196 8.325 -0.129 18536 416 1 10 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.828 -0.309 18536 417 1 10 . 1 1 3 3 GLU H H 3 7.892 7.892 7.800 0.092 18536 418 1 10 . 1 1 4 4 THR HA H 4 4.597 4.597 4.535 0.062 18536 419 1 10 . 1 1 4 4 THR H H 4 8.143 8.143 8.267 -0.124 18536 420 1 10 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.907 -0.155 18536 421 1 10 . 1 1 5 5 CYS H H 5 8.564 8.564 8.414 0.150 18536 422 1 10 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.634 0.328 18536 423 1 10 . 1 1 6 6 VAL H H 6 8.369 8.369 7.767 0.602 18536 424 1 10 . 1 1 7 7 GLY H H 7 8.803 8.803 8.356 0.447 18536 425 1 10 . 1 1 8 8 GLY H H 8 8.267 8.267 8.159 0.108 18536 426 1 10 . 1 1 9 9 THR HA H 9 4.624 4.624 4.497 0.127 18536 427 1 10 . 1 1 9 9 THR H H 9 7.680 7.680 7.760 -0.080 18536 428 1 10 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.655 0.090 18536 429 1 10 . 1 1 10 10 CYS H H 10 8.068 8.068 8.701 -0.633 18536 430 1 10 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.841 -0.251 18536 431 1 10 . 1 1 11 11 ASN H H 11 8.739 8.739 8.702 0.037 18536 432 1 10 . 1 1 12 12 THR HA H 12 4.531 4.531 4.766 -0.235 18536 433 1 10 . 1 1 12 12 THR H H 12 7.972 7.972 7.812 0.160 18536 434 1 10 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.314 -0.088 18536 435 1 10 . 1 1 14 14 GLY H H 14 8.579 8.579 8.478 0.101 18536 436 1 10 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.690 0.221 18536 437 1 10 . 1 1 15 15 CYS H H 15 7.677 7.677 7.730 -0.053 18536 438 1 10 . 1 1 16 16 THR HA H 16 4.464 4.464 4.694 -0.230 18536 439 1 10 . 1 1 16 16 THR H H 16 9.017 9.017 8.451 0.566 18536 440 1 10 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.527 0.061 18536 441 1 10 . 1 1 17 17 CYS H H 17 9.050 9.050 8.710 0.340 18536 442 1 10 . 1 1 18 18 SER HA H 18 4.661 4.661 4.795 -0.134 18536 443 1 10 . 1 1 18 18 SER H H 18 8.938 8.938 8.541 0.397 18536 444 1 10 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.554 -0.447 18536 445 1 10 . 1 1 19 19 TRP H H 19 8.380 8.380 7.811 0.569 18536 446 1 10 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.693 0.673 18536 447 1 10 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.050 0.186 18536 448 1 10 . 1 1 21 21 VAL H H 21 8.226 8.226 7.389 0.837 18536 449 1 10 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.772 0.215 18536 450 1 10 . 1 1 22 22 CYS H H 22 7.975 7.975 8.178 -0.203 18536 451 1 10 . 1 1 23 23 GLY H H 23 8.748 8.748 8.720 0.028 18536 452 1 10 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.547 0.224 18536 453 1 10 . 1 1 24 24 HIS H H 24 8.346 8.346 7.831 0.515 18536 454 1 10 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.769 -0.308 18536 455 1 10 . 1 1 25 25 PHE H H 25 8.411 8.411 8.070 0.341 18536 456 1 10 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.096 -0.217 18536 457 1 10 . 1 1 26 26 ARG H H 26 8.274 8.274 8.169 0.105 18536 458 1 10 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.628 0.049 18536 459 1 10 . 1 1 27 27 TRP H H 27 7.699 7.699 7.499 0.200 18536 460 1 10 . 1 1 28 28 GLY H H 28 7.922 7.922 8.573 -0.651 18536 461 1 11 . 1 1 2 2 GLY H H 2 8.196 8.196 8.383 -0.187 18536 462 1 11 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.823 -0.304 18536 463 1 11 . 1 1 3 3 GLU H H 3 7.892 7.892 7.722 0.170 18536 464 1 11 . 1 1 4 4 THR HA H 4 4.597 4.597 4.623 -0.026 18536 465 1 11 . 1 1 4 4 THR H H 4 8.143 8.143 8.346 -0.203 18536 466 1 11 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.959 -0.207 18536 467 1 11 . 1 1 5 5 CYS H H 5 8.564 8.564 8.396 0.168 18536 468 1 11 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.739 0.223 18536 469 1 11 . 1 1 6 6 VAL H H 6 8.369 8.369 8.182 0.187 18536 470 1 11 . 1 1 7 7 GLY H H 7 8.803 8.803 8.222 0.581 18536 471 1 11 . 1 1 8 8 GLY H H 8 8.267 8.267 8.148 0.119 18536 472 1 11 . 1 1 9 9 THR HA H 9 4.624 4.624 4.509 0.115 18536 473 1 11 . 1 1 9 9 THR H H 9 7.680 7.680 7.688 -0.008 18536 474 1 11 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.664 0.081 18536 475 1 11 . 1 1 10 10 CYS H H 10 8.068 8.068 8.843 -0.775 18536 476 1 11 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.749 -0.159 18536 477 1 11 . 1 1 11 11 ASN H H 11 8.739 8.739 8.486 0.253 18536 478 1 11 . 1 1 12 12 THR HA H 12 4.531 4.531 4.786 -0.255 18536 479 1 11 . 1 1 12 12 THR H H 12 7.972 7.972 7.854 0.118 18536 480 1 11 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.349 -0.123 18536 481 1 11 . 1 1 14 14 GLY H H 14 8.579 8.579 8.317 0.262 18536 482 1 11 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.814 0.097 18536 483 1 11 . 1 1 15 15 CYS H H 15 7.677 7.677 7.956 -0.279 18536 484 1 11 . 1 1 16 16 THR HA H 16 4.464 4.464 4.750 -0.286 18536 485 1 11 . 1 1 16 16 THR H H 16 9.017 9.017 8.280 0.737 18536 486 1 11 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.706 -0.118 18536 487 1 11 . 1 1 17 17 CYS H H 17 9.050 9.050 8.625 0.425 18536 488 1 11 . 1 1 18 18 SER HA H 18 4.661 4.661 4.818 -0.157 18536 489 1 11 . 1 1 18 18 SER H H 18 8.938 8.938 8.475 0.463 18536 490 1 11 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.539 -0.432 18536 491 1 11 . 1 1 19 19 TRP H H 19 8.380 8.380 7.743 0.637 18536 492 1 11 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.697 0.669 18536 493 1 11 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.871 0.365 18536 494 1 11 . 1 1 21 21 VAL H H 21 8.226 8.226 7.552 0.674 18536 495 1 11 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.894 0.093 18536 496 1 11 . 1 1 22 22 CYS H H 22 7.975 7.975 8.140 -0.165 18536 497 1 11 . 1 1 23 23 GLY H H 23 8.748 8.748 8.823 -0.075 18536 498 1 11 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.116 -0.345 18536 499 1 11 . 1 1 24 24 HIS H H 24 8.346 8.346 7.827 0.519 18536 500 1 11 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.700 -0.239 18536 501 1 11 . 1 1 25 25 PHE H H 25 8.411 8.411 8.892 -0.481 18536 502 1 11 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.073 -0.194 18536 503 1 11 . 1 1 26 26 ARG H H 26 8.274 8.274 8.332 -0.057 18536 504 1 11 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.670 0.007 18536 505 1 11 . 1 1 27 27 TRP H H 27 7.699 7.699 7.544 0.155 18536 506 1 11 . 1 1 28 28 GLY H H 28 7.922 7.922 8.623 -0.701 18536 507 1 12 . 1 1 2 2 GLY H H 2 8.196 8.196 8.419 -0.223 18536 508 1 12 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.809 -0.290 18536 509 1 12 . 1 1 3 3 GLU H H 3 7.892 7.892 7.961 -0.069 18536 510 1 12 . 1 1 4 4 THR HA H 4 4.597 4.597 4.743 -0.146 18536 511 1 12 . 1 1 4 4 THR H H 4 8.143 8.143 8.260 -0.117 18536 512 1 12 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.957 -0.205 18536 513 1 12 . 1 1 5 5 CYS H H 5 8.564 8.564 8.467 0.097 18536 514 1 12 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.761 0.201 18536 515 1 12 . 1 1 6 6 VAL H H 6 8.369 8.369 8.511 -0.142 18536 516 1 12 . 1 1 7 7 GLY H H 7 8.803 8.803 8.065 0.738 18536 517 1 12 . 1 1 8 8 GLY H H 8 8.267 8.267 7.993 0.274 18536 518 1 12 . 1 1 9 9 THR HA H 9 4.624 4.624 4.556 0.068 18536 519 1 12 . 1 1 9 9 THR H H 9 7.680 7.680 7.880 -0.200 18536 520 1 12 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.615 0.130 18536 521 1 12 . 1 1 10 10 CYS H H 10 8.068 8.068 8.652 -0.584 18536 522 1 12 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.902 -0.312 18536 523 1 12 . 1 1 11 11 ASN H H 11 8.739 8.739 8.766 -0.027 18536 524 1 12 . 1 1 12 12 THR HA H 12 4.531 4.531 4.759 -0.228 18536 525 1 12 . 1 1 12 12 THR H H 12 7.972 7.972 7.751 0.221 18536 526 1 12 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.358 -0.132 18536 527 1 12 . 1 1 14 14 GLY H H 14 8.579 8.579 8.486 0.093 18536 528 1 12 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.631 0.280 18536 529 1 12 . 1 1 15 15 CYS H H 15 7.677 7.677 7.753 -0.076 18536 530 1 12 . 1 1 16 16 THR HA H 16 4.464 4.464 4.776 -0.312 18536 531 1 12 . 1 1 16 16 THR H H 16 9.017 9.017 8.344 0.673 18536 532 1 12 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.657 -0.069 18536 533 1 12 . 1 1 17 17 CYS H H 17 9.050 9.050 8.304 0.746 18536 534 1 12 . 1 1 18 18 SER HA H 18 4.661 4.661 4.793 -0.132 18536 535 1 12 . 1 1 18 18 SER H H 18 8.938 8.938 8.565 0.373 18536 536 1 12 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.554 -0.447 18536 537 1 12 . 1 1 19 19 TRP H H 19 8.380 8.380 8.049 0.331 18536 538 1 12 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.761 0.605 18536 539 1 12 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.085 0.151 18536 540 1 12 . 1 1 21 21 VAL H H 21 8.226 8.226 7.465 0.761 18536 541 1 12 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.860 0.127 18536 542 1 12 . 1 1 22 22 CYS H H 22 7.975 7.975 8.129 -0.154 18536 543 1 12 . 1 1 23 23 GLY H H 23 8.748 8.748 8.885 -0.137 18536 544 1 12 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.216 -0.445 18536 545 1 12 . 1 1 24 24 HIS H H 24 8.346 8.346 8.102 0.244 18536 546 1 12 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.659 -0.198 18536 547 1 12 . 1 1 25 25 PHE H H 25 8.411 8.411 8.884 -0.473 18536 548 1 12 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.069 -0.190 18536 549 1 12 . 1 1 26 26 ARG H H 26 8.274 8.274 8.291 -0.017 18536 550 1 12 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.654 0.023 18536 551 1 12 . 1 1 27 27 TRP H H 27 7.699 7.699 7.559 0.140 18536 552 1 12 . 1 1 28 28 GLY H H 28 7.922 7.922 8.598 -0.676 18536 553 1 13 . 1 1 2 2 GLY H H 2 8.196 8.196 8.316 -0.120 18536 554 1 13 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.785 -0.266 18536 555 1 13 . 1 1 3 3 GLU H H 3 7.892 7.892 7.846 0.046 18536 556 1 13 . 1 1 4 4 THR HA H 4 4.597 4.597 4.632 -0.035 18536 557 1 13 . 1 1 4 4 THR H H 4 8.143 8.143 8.417 -0.274 18536 558 1 13 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.899 -0.147 18536 559 1 13 . 1 1 5 5 CYS H H 5 8.564 8.564 8.408 0.156 18536 560 1 13 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.760 0.202 18536 561 1 13 . 1 1 6 6 VAL H H 6 8.369 8.369 8.242 0.127 18536 562 1 13 . 1 1 7 7 GLY H H 7 8.803 8.803 8.271 0.532 18536 563 1 13 . 1 1 8 8 GLY H H 8 8.267 8.267 8.115 0.152 18536 564 1 13 . 1 1 9 9 THR HA H 9 4.624 4.624 4.573 0.051 18536 565 1 13 . 1 1 9 9 THR H H 9 7.680 7.680 7.643 0.037 18536 566 1 13 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.697 0.048 18536 567 1 13 . 1 1 10 10 CYS H H 10 8.068 8.068 8.817 -0.749 18536 568 1 13 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.703 -0.113 18536 569 1 13 . 1 1 11 11 ASN H H 11 8.739 8.739 8.573 0.166 18536 570 1 13 . 1 1 12 12 THR HA H 12 4.531 4.531 4.729 -0.198 18536 571 1 13 . 1 1 12 12 THR H H 12 7.972 7.972 7.843 0.129 18536 572 1 13 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.315 -0.089 18536 573 1 13 . 1 1 14 14 GLY H H 14 8.579 8.579 8.476 0.103 18536 574 1 13 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.737 0.174 18536 575 1 13 . 1 1 15 15 CYS H H 15 7.677 7.677 7.826 -0.149 18536 576 1 13 . 1 1 16 16 THR HA H 16 4.464 4.464 4.649 -0.185 18536 577 1 13 . 1 1 16 16 THR H H 16 9.017 9.017 8.439 0.578 18536 578 1 13 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.523 0.065 18536 579 1 13 . 1 1 17 17 CYS H H 17 9.050 9.050 8.345 0.705 18536 580 1 13 . 1 1 18 18 SER HA H 18 4.661 4.661 4.789 -0.128 18536 581 1 13 . 1 1 18 18 SER H H 18 8.938 8.938 8.508 0.430 18536 582 1 13 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.482 -0.375 18536 583 1 13 . 1 1 19 19 TRP H H 19 8.380 8.380 7.760 0.620 18536 584 1 13 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.705 0.661 18536 585 1 13 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.883 0.353 18536 586 1 13 . 1 1 21 21 VAL H H 21 8.226 8.226 7.535 0.691 18536 587 1 13 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.859 0.128 18536 588 1 13 . 1 1 22 22 CYS H H 22 7.975 7.975 8.166 -0.191 18536 589 1 13 . 1 1 23 23 GLY H H 23 8.748 8.748 8.832 -0.084 18536 590 1 13 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.063 -0.292 18536 591 1 13 . 1 1 24 24 HIS H H 24 8.346 8.346 7.831 0.515 18536 592 1 13 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.600 -0.139 18536 593 1 13 . 1 1 25 25 PHE H H 25 8.411 8.411 8.802 -0.391 18536 594 1 13 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.134 -0.255 18536 595 1 13 . 1 1 26 26 ARG H H 26 8.274 8.274 8.279 -0.005 18536 596 1 13 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.571 0.106 18536 597 1 13 . 1 1 27 27 TRP H H 27 7.699 7.699 7.428 0.271 18536 598 1 13 . 1 1 28 28 GLY H H 28 7.922 7.922 8.781 -0.859 18536 599 1 14 . 1 1 2 2 GLY H H 2 8.196 8.196 8.565 -0.369 18536 600 1 14 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.691 -0.172 18536 601 1 14 . 1 1 3 3 GLU H H 3 7.892 7.892 7.791 0.101 18536 602 1 14 . 1 1 4 4 THR HA H 4 4.597 4.597 4.452 0.145 18536 603 1 14 . 1 1 4 4 THR H H 4 8.143 8.143 8.250 -0.107 18536 604 1 14 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.686 0.066 18536 605 1 14 . 1 1 5 5 CYS H H 5 8.564 8.564 8.693 -0.129 18536 606 1 14 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.559 0.403 18536 607 1 14 . 1 1 6 6 VAL H H 6 8.369 8.369 7.545 0.824 18536 608 1 14 . 1 1 7 7 GLY H H 7 8.803 8.803 8.193 0.610 18536 609 1 14 . 1 1 8 8 GLY H H 8 8.267 8.267 8.042 0.225 18536 610 1 14 . 1 1 9 9 THR HA H 9 4.624 4.624 4.544 0.080 18536 611 1 14 . 1 1 9 9 THR H H 9 7.680 7.680 7.893 -0.213 18536 612 1 14 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.776 -0.031 18536 613 1 14 . 1 1 10 10 CYS H H 10 8.068 8.068 8.231 -0.163 18536 614 1 14 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.667 -0.077 18536 615 1 14 . 1 1 11 11 ASN H H 11 8.739 8.739 8.215 0.524 18536 616 1 14 . 1 1 12 12 THR HA H 12 4.531 4.531 4.781 -0.250 18536 617 1 14 . 1 1 12 12 THR H H 12 7.972 7.972 7.948 0.024 18536 618 1 14 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.347 -0.121 18536 619 1 14 . 1 1 14 14 GLY H H 14 8.579 8.579 8.487 0.092 18536 620 1 14 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.773 0.138 18536 621 1 14 . 1 1 15 15 CYS H H 15 7.677 7.677 7.852 -0.175 18536 622 1 14 . 1 1 16 16 THR HA H 16 4.464 4.464 4.673 -0.209 18536 623 1 14 . 1 1 16 16 THR H H 16 9.017 9.017 8.104 0.913 18536 624 1 14 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.723 -0.135 18536 625 1 14 . 1 1 17 17 CYS H H 17 9.050 9.050 8.793 0.257 18536 626 1 14 . 1 1 18 18 SER HA H 18 4.661 4.661 4.717 -0.056 18536 627 1 14 . 1 1 18 18 SER H H 18 8.938 8.938 8.427 0.511 18536 628 1 14 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.533 -0.426 18536 629 1 14 . 1 1 19 19 TRP H H 19 8.380 8.380 8.007 0.373 18536 630 1 14 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.746 0.620 18536 631 1 14 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.101 0.135 18536 632 1 14 . 1 1 21 21 VAL H H 21 8.226 8.226 7.560 0.666 18536 633 1 14 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.723 0.264 18536 634 1 14 . 1 1 22 22 CYS H H 22 7.975 7.975 8.080 -0.105 18536 635 1 14 . 1 1 23 23 GLY H H 23 8.748 8.748 8.796 -0.048 18536 636 1 14 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.972 -0.201 18536 637 1 14 . 1 1 24 24 HIS H H 24 8.346 8.346 8.135 0.211 18536 638 1 14 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.578 -0.117 18536 639 1 14 . 1 1 25 25 PHE H H 25 8.411 8.411 8.760 -0.349 18536 640 1 14 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.098 -0.219 18536 641 1 14 . 1 1 26 26 ARG H H 26 8.274 8.274 8.279 -0.005 18536 642 1 14 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.542 0.135 18536 643 1 14 . 1 1 27 27 TRP H H 27 7.699 7.699 7.538 0.161 18536 644 1 14 . 1 1 28 28 GLY H H 28 7.922 7.922 8.705 -0.783 18536 645 1 15 . 1 1 2 2 GLY H H 2 8.196 8.196 8.354 -0.158 18536 646 1 15 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.847 -0.328 18536 647 1 15 . 1 1 3 3 GLU H H 3 7.892 7.892 8.009 -0.117 18536 648 1 15 . 1 1 4 4 THR HA H 4 4.597 4.597 4.616 -0.019 18536 649 1 15 . 1 1 4 4 THR H H 4 8.143 8.143 8.490 -0.347 18536 650 1 15 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.947 -0.195 18536 651 1 15 . 1 1 5 5 CYS H H 5 8.564 8.564 8.301 0.263 18536 652 1 15 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.766 0.196 18536 653 1 15 . 1 1 6 6 VAL H H 6 8.369 8.369 8.073 0.296 18536 654 1 15 . 1 1 7 7 GLY H H 7 8.803 8.803 8.243 0.560 18536 655 1 15 . 1 1 8 8 GLY H H 8 8.267 8.267 8.026 0.241 18536 656 1 15 . 1 1 9 9 THR HA H 9 4.624 4.624 4.527 0.097 18536 657 1 15 . 1 1 9 9 THR H H 9 7.680 7.680 7.842 -0.162 18536 658 1 15 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.653 0.092 18536 659 1 15 . 1 1 10 10 CYS H H 10 8.068 8.068 8.681 -0.613 18536 660 1 15 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.736 -0.146 18536 661 1 15 . 1 1 11 11 ASN H H 11 8.739 8.739 8.562 0.177 18536 662 1 15 . 1 1 12 12 THR HA H 12 4.531 4.531 4.714 -0.183 18536 663 1 15 . 1 1 12 12 THR H H 12 7.972 7.972 7.845 0.127 18536 664 1 15 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.318 -0.092 18536 665 1 15 . 1 1 14 14 GLY H H 14 8.579 8.579 8.474 0.105 18536 666 1 15 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.724 0.187 18536 667 1 15 . 1 1 15 15 CYS H H 15 7.677 7.677 7.834 -0.157 18536 668 1 15 . 1 1 16 16 THR HA H 16 4.464 4.464 4.668 -0.204 18536 669 1 15 . 1 1 16 16 THR H H 16 9.017 9.017 8.504 0.513 18536 670 1 15 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.468 0.120 18536 671 1 15 . 1 1 17 17 CYS H H 17 9.050 9.050 8.419 0.631 18536 672 1 15 . 1 1 18 18 SER HA H 18 4.661 4.661 4.751 -0.090 18536 673 1 15 . 1 1 18 18 SER H H 18 8.938 8.938 8.583 0.355 18536 674 1 15 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.526 -0.419 18536 675 1 15 . 1 1 19 19 TRP H H 19 8.380 8.380 7.796 0.584 18536 676 1 15 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.689 0.677 18536 677 1 15 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.855 0.381 18536 678 1 15 . 1 1 21 21 VAL H H 21 8.226 8.226 7.470 0.756 18536 679 1 15 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.818 0.169 18536 680 1 15 . 1 1 22 22 CYS H H 22 7.975 7.975 8.187 -0.212 18536 681 1 15 . 1 1 23 23 GLY H H 23 8.748 8.748 8.757 -0.009 18536 682 1 15 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.227 -0.456 18536 683 1 15 . 1 1 24 24 HIS H H 24 8.346 8.346 7.971 0.375 18536 684 1 15 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.594 -0.133 18536 685 1 15 . 1 1 25 25 PHE H H 25 8.411 8.411 8.853 -0.442 18536 686 1 15 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.094 -0.215 18536 687 1 15 . 1 1 26 26 ARG H H 26 8.274 8.274 8.311 -0.037 18536 688 1 15 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.554 0.123 18536 689 1 15 . 1 1 27 27 TRP H H 27 7.699 7.699 7.538 0.161 18536 690 1 15 . 1 1 28 28 GLY H H 28 7.922 7.922 8.714 -0.792 18536 691 1 16 . 1 1 2 2 GLY H H 2 8.196 8.196 8.251 -0.055 18536 692 1 16 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.818 -0.299 18536 693 1 16 . 1 1 3 3 GLU H H 3 7.892 7.892 7.842 0.050 18536 694 1 16 . 1 1 4 4 THR HA H 4 4.597 4.597 4.580 0.017 18536 695 1 16 . 1 1 4 4 THR H H 4 8.143 8.143 8.259 -0.116 18536 696 1 16 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.922 -0.170 18536 697 1 16 . 1 1 5 5 CYS H H 5 8.564 8.564 8.451 0.113 18536 698 1 16 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.603 0.359 18536 699 1 16 . 1 1 6 6 VAL H H 6 8.369 8.369 7.612 0.757 18536 700 1 16 . 1 1 7 7 GLY H H 7 8.803 8.803 8.285 0.518 18536 701 1 16 . 1 1 8 8 GLY H H 8 8.267 8.267 8.182 0.085 18536 702 1 16 . 1 1 9 9 THR HA H 9 4.624 4.624 4.549 0.075 18536 703 1 16 . 1 1 9 9 THR H H 9 7.680 7.680 7.681 -0.001 18536 704 1 16 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.668 0.077 18536 705 1 16 . 1 1 10 10 CYS H H 10 8.068 8.068 8.565 -0.497 18536 706 1 16 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.641 -0.051 18536 707 1 16 . 1 1 11 11 ASN H H 11 8.739 8.739 8.267 0.472 18536 708 1 16 . 1 1 12 12 THR HA H 12 4.531 4.531 4.779 -0.248 18536 709 1 16 . 1 1 12 12 THR H H 12 7.972 7.972 8.106 -0.134 18536 710 1 16 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.348 -0.122 18536 711 1 16 . 1 1 14 14 GLY H H 14 8.579 8.579 8.444 0.135 18536 712 1 16 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.567 0.344 18536 713 1 16 . 1 1 15 15 CYS H H 15 7.677 7.677 7.803 -0.126 18536 714 1 16 . 1 1 16 16 THR HA H 16 4.464 4.464 4.694 -0.230 18536 715 1 16 . 1 1 16 16 THR H H 16 9.017 9.017 8.419 0.598 18536 716 1 16 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.503 0.085 18536 717 1 16 . 1 1 17 17 CYS H H 17 9.050 9.050 8.354 0.696 18536 718 1 16 . 1 1 18 18 SER HA H 18 4.661 4.661 4.850 -0.189 18536 719 1 16 . 1 1 18 18 SER H H 18 8.938 8.938 8.561 0.377 18536 720 1 16 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.601 -0.494 18536 721 1 16 . 1 1 19 19 TRP H H 19 8.380 8.380 7.657 0.723 18536 722 1 16 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.721 0.645 18536 723 1 16 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.122 0.114 18536 724 1 16 . 1 1 21 21 VAL H H 21 8.226 8.226 7.436 0.789 18536 725 1 16 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.881 0.106 18536 726 1 16 . 1 1 22 22 CYS H H 22 7.975 7.975 8.259 -0.284 18536 727 1 16 . 1 1 23 23 GLY H H 23 8.748 8.748 8.880 -0.132 18536 728 1 16 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.216 -0.445 18536 729 1 16 . 1 1 24 24 HIS H H 24 8.346 8.346 8.073 0.273 18536 730 1 16 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.749 -0.288 18536 731 1 16 . 1 1 25 25 PHE H H 25 8.411 8.411 8.932 -0.521 18536 732 1 16 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.883 -0.004 18536 733 1 16 . 1 1 26 26 ARG H H 26 8.274 8.274 8.474 -0.200 18536 734 1 16 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.563 0.114 18536 735 1 16 . 1 1 27 27 TRP H H 27 7.699 7.699 7.884 -0.185 18536 736 1 16 . 1 1 28 28 GLY H H 28 7.922 7.922 8.496 -0.574 18536 737 1 17 . 1 1 2 2 GLY H H 2 8.196 8.196 8.328 -0.132 18536 738 1 17 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.782 -0.263 18536 739 1 17 . 1 1 3 3 GLU H H 3 7.892 7.892 7.794 0.098 18536 740 1 17 . 1 1 4 4 THR HA H 4 4.597 4.597 4.459 0.138 18536 741 1 17 . 1 1 4 4 THR H H 4 8.143 8.143 8.214 -0.071 18536 742 1 17 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.793 -0.041 18536 743 1 17 . 1 1 5 5 CYS H H 5 8.564 8.564 8.618 -0.054 18536 744 1 17 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.421 0.541 18536 745 1 17 . 1 1 6 6 VAL H H 6 8.369 8.369 8.073 0.296 18536 746 1 17 . 1 1 7 7 GLY H H 7 8.803 8.803 8.082 0.721 18536 747 1 17 . 1 1 8 8 GLY H H 8 8.267 8.267 8.287 -0.020 18536 748 1 17 . 1 1 9 9 THR HA H 9 4.624 4.624 4.549 0.075 18536 749 1 17 . 1 1 9 9 THR H H 9 7.680 7.680 7.927 -0.247 18536 750 1 17 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.613 0.132 18536 751 1 17 . 1 1 10 10 CYS H H 10 8.068 8.068 8.414 -0.346 18536 752 1 17 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.886 -0.296 18536 753 1 17 . 1 1 11 11 ASN H H 11 8.739 8.739 8.423 0.316 18536 754 1 17 . 1 1 12 12 THR HA H 12 4.531 4.531 4.727 -0.196 18536 755 1 17 . 1 1 12 12 THR H H 12 7.972 7.972 8.197 -0.225 18536 756 1 17 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.389 -0.163 18536 757 1 17 . 1 1 14 14 GLY H H 14 8.579 8.579 8.605 -0.026 18536 758 1 17 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.784 0.127 18536 759 1 17 . 1 1 15 15 CYS H H 15 7.677 7.677 7.896 -0.219 18536 760 1 17 . 1 1 16 16 THR HA H 16 4.464 4.464 4.568 -0.104 18536 761 1 17 . 1 1 16 16 THR H H 16 9.017 9.017 7.931 1.086 18536 762 1 17 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.652 -0.064 18536 763 1 17 . 1 1 17 17 CYS H H 17 9.050 9.050 8.254 0.796 18536 764 1 17 . 1 1 18 18 SER HA H 18 4.661 4.661 4.812 -0.151 18536 765 1 17 . 1 1 18 18 SER H H 18 8.938 8.938 8.544 0.394 18536 766 1 17 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.532 -0.425 18536 767 1 17 . 1 1 19 19 TRP H H 19 8.380 8.380 7.615 0.765 18536 768 1 17 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.768 0.598 18536 769 1 17 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.864 0.372 18536 770 1 17 . 1 1 21 21 VAL H H 21 8.226 8.226 7.393 0.833 18536 771 1 17 . 1 1 22 22 CYS HA H 22 4.987 4.987 5.097 -0.110 18536 772 1 17 . 1 1 22 22 CYS H H 22 7.975 7.975 8.066 -0.091 18536 773 1 17 . 1 1 23 23 GLY H H 23 8.748 8.748 8.771 -0.023 18536 774 1 17 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.429 0.342 18536 775 1 17 . 1 1 24 24 HIS H H 24 8.346 8.346 8.066 0.280 18536 776 1 17 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.749 -0.288 18536 777 1 17 . 1 1 25 25 PHE H H 25 8.411 8.411 8.040 0.371 18536 778 1 17 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.102 -0.223 18536 779 1 17 . 1 1 26 26 ARG H H 26 8.274 8.274 8.110 0.164 18536 780 1 17 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.628 0.049 18536 781 1 17 . 1 1 27 27 TRP H H 27 7.699 7.699 7.501 0.198 18536 782 1 17 . 1 1 28 28 GLY H H 28 7.922 7.922 8.562 -0.640 18536 783 1 18 . 1 1 2 2 GLY H H 2 8.196 8.196 8.403 -0.207 18536 784 1 18 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.596 -0.077 18536 785 1 18 . 1 1 3 3 GLU H H 3 7.892 7.892 8.189 -0.297 18536 786 1 18 . 1 1 4 4 THR HA H 4 4.597 4.597 4.467 0.130 18536 787 1 18 . 1 1 4 4 THR H H 4 8.143 8.143 8.179 -0.036 18536 788 1 18 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.882 -0.130 18536 789 1 18 . 1 1 5 5 CYS H H 5 8.564 8.564 8.680 -0.116 18536 790 1 18 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.490 0.472 18536 791 1 18 . 1 1 6 6 VAL H H 6 8.369 8.369 7.468 0.901 18536 792 1 18 . 1 1 7 7 GLY H H 7 8.803 8.803 8.365 0.438 18536 793 1 18 . 1 1 8 8 GLY H H 8 8.267 8.267 7.979 0.288 18536 794 1 18 . 1 1 9 9 THR HA H 9 4.624 4.624 4.593 0.031 18536 795 1 18 . 1 1 9 9 THR H H 9 7.680 7.680 7.773 -0.093 18536 796 1 18 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.803 -0.058 18536 797 1 18 . 1 1 10 10 CYS H H 10 8.068 8.068 8.622 -0.554 18536 798 1 18 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.489 0.101 18536 799 1 18 . 1 1 11 11 ASN H H 11 8.739 8.739 8.330 0.409 18536 800 1 18 . 1 1 12 12 THR HA H 12 4.531 4.531 4.748 -0.217 18536 801 1 18 . 1 1 12 12 THR H H 12 7.972 7.972 7.942 0.030 18536 802 1 18 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.335 -0.109 18536 803 1 18 . 1 1 14 14 GLY H H 14 8.579 8.579 8.522 0.057 18536 804 1 18 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.667 0.244 18536 805 1 18 . 1 1 15 15 CYS H H 15 7.677 7.677 7.880 -0.203 18536 806 1 18 . 1 1 16 16 THR HA H 16 4.464 4.464 4.625 -0.161 18536 807 1 18 . 1 1 16 16 THR H H 16 9.017 9.017 8.231 0.786 18536 808 1 18 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.716 -0.128 18536 809 1 18 . 1 1 17 17 CYS H H 17 9.050 9.050 8.376 0.674 18536 810 1 18 . 1 1 18 18 SER HA H 18 4.661 4.661 4.735 -0.074 18536 811 1 18 . 1 1 18 18 SER H H 18 8.938 8.938 8.554 0.384 18536 812 1 18 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.523 -0.416 18536 813 1 18 . 1 1 19 19 TRP H H 19 8.380 8.380 7.716 0.664 18536 814 1 18 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.624 0.742 18536 815 1 18 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.940 0.296 18536 816 1 18 . 1 1 21 21 VAL H H 21 8.226 8.226 7.469 0.757 18536 817 1 18 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.810 0.177 18536 818 1 18 . 1 1 22 22 CYS H H 22 7.975 7.975 8.120 -0.145 18536 819 1 18 . 1 1 23 23 GLY H H 23 8.748 8.748 8.898 -0.150 18536 820 1 18 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.990 -0.219 18536 821 1 18 . 1 1 24 24 HIS H H 24 8.346 8.346 8.184 0.162 18536 822 1 18 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.578 -0.117 18536 823 1 18 . 1 1 25 25 PHE H H 25 8.411 8.411 8.774 -0.363 18536 824 1 18 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.095 -0.216 18536 825 1 18 . 1 1 26 26 ARG H H 26 8.274 8.274 8.223 0.051 18536 826 1 18 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.595 0.082 18536 827 1 18 . 1 1 27 27 TRP H H 27 7.699 7.699 7.531 0.168 18536 828 1 18 . 1 1 28 28 GLY H H 28 7.922 7.922 8.677 -0.755 18536 829 1 19 . 1 1 2 2 GLY H H 2 8.196 8.196 8.052 0.144 18536 830 1 19 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.810 -0.291 18536 831 1 19 . 1 1 3 3 GLU H H 3 7.892 7.892 7.815 0.077 18536 832 1 19 . 1 1 4 4 THR HA H 4 4.597 4.597 4.582 0.015 18536 833 1 19 . 1 1 4 4 THR H H 4 8.143 8.143 8.299 -0.156 18536 834 1 19 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.935 -0.183 18536 835 1 19 . 1 1 5 5 CYS H H 5 8.564 8.564 8.462 0.102 18536 836 1 19 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.702 0.260 18536 837 1 19 . 1 1 6 6 VAL H H 6 8.369 8.369 7.811 0.558 18536 838 1 19 . 1 1 7 7 GLY H H 7 8.803 8.803 8.263 0.540 18536 839 1 19 . 1 1 8 8 GLY H H 8 8.267 8.267 8.122 0.145 18536 840 1 19 . 1 1 9 9 THR HA H 9 4.624 4.624 4.523 0.101 18536 841 1 19 . 1 1 9 9 THR H H 9 7.680 7.680 7.697 -0.017 18536 842 1 19 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.657 0.088 18536 843 1 19 . 1 1 10 10 CYS H H 10 8.068 8.068 8.755 -0.687 18536 844 1 19 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.767 -0.177 18536 845 1 19 . 1 1 11 11 ASN H H 11 8.739 8.739 8.698 0.041 18536 846 1 19 . 1 1 12 12 THR HA H 12 4.531 4.531 4.781 -0.250 18536 847 1 19 . 1 1 12 12 THR H H 12 7.972 7.972 8.077 -0.105 18536 848 1 19 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.347 -0.121 18536 849 1 19 . 1 1 14 14 GLY H H 14 8.579 8.579 8.452 0.127 18536 850 1 19 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.499 0.412 18536 851 1 19 . 1 1 15 15 CYS H H 15 7.677 7.677 7.921 -0.244 18536 852 1 19 . 1 1 16 16 THR HA H 16 4.464 4.464 4.594 -0.130 18536 853 1 19 . 1 1 16 16 THR H H 16 9.017 9.017 7.951 1.066 18536 854 1 19 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.154 0.434 18536 855 1 19 . 1 1 17 17 CYS H H 17 9.050 9.050 8.925 0.125 18536 856 1 19 . 1 1 18 18 SER HA H 18 4.661 4.661 4.753 -0.092 18536 857 1 19 . 1 1 18 18 SER H H 18 8.938 8.938 8.486 0.452 18536 858 1 19 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.521 -0.414 18536 859 1 19 . 1 1 19 19 TRP H H 19 8.380 8.380 7.884 0.496 18536 860 1 19 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.702 0.664 18536 861 1 19 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.103 0.133 18536 862 1 19 . 1 1 21 21 VAL H H 21 8.226 8.226 7.497 0.729 18536 863 1 19 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.734 0.253 18536 864 1 19 . 1 1 22 22 CYS H H 22 7.975 7.975 8.182 -0.207 18536 865 1 19 . 1 1 23 23 GLY H H 23 8.748 8.748 8.791 -0.043 18536 866 1 19 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.407 0.364 18536 867 1 19 . 1 1 24 24 HIS H H 24 8.346 8.346 7.842 0.504 18536 868 1 19 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.719 -0.258 18536 869 1 19 . 1 1 25 25 PHE H H 25 8.411 8.411 8.021 0.390 18536 870 1 19 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.092 -0.213 18536 871 1 19 . 1 1 26 26 ARG H H 26 8.274 8.274 8.278 -0.004 18536 872 1 19 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.636 0.041 18536 873 1 19 . 1 1 27 27 TRP H H 27 7.699 7.699 7.499 0.200 18536 874 1 19 . 1 1 28 28 GLY H H 28 7.922 7.922 8.671 -0.749 18536 875 1 20 . 1 1 2 2 GLY H H 2 8.196 8.196 8.432 -0.236 18536 876 1 20 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.771 -0.252 18536 877 1 20 . 1 1 3 3 GLU H H 3 7.892 7.892 7.769 0.123 18536 878 1 20 . 1 1 4 4 THR HA H 4 4.597 4.597 4.572 0.025 18536 879 1 20 . 1 1 4 4 THR H H 4 8.143 8.143 8.294 -0.151 18536 880 1 20 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.969 -0.217 18536 881 1 20 . 1 1 5 5 CYS H H 5 8.564 8.564 8.476 0.088 18536 882 1 20 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.606 0.356 18536 883 1 20 . 1 1 6 6 VAL H H 6 8.369 8.369 7.856 0.513 18536 884 1 20 . 1 1 7 7 GLY H H 7 8.803 8.803 8.401 0.402 18536 885 1 20 . 1 1 8 8 GLY H H 8 8.267 8.267 8.088 0.179 18536 886 1 20 . 1 1 9 9 THR HA H 9 4.624 4.624 4.543 0.081 18536 887 1 20 . 1 1 9 9 THR H H 9 7.680 7.680 7.672 0.008 18536 888 1 20 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.589 0.156 18536 889 1 20 . 1 1 10 10 CYS H H 10 8.068 8.068 8.621 -0.553 18536 890 1 20 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.634 -0.044 18536 891 1 20 . 1 1 11 11 ASN H H 11 8.739 8.739 8.434 0.305 18536 892 1 20 . 1 1 12 12 THR HA H 12 4.531 4.531 4.754 -0.223 18536 893 1 20 . 1 1 12 12 THR H H 12 7.972 7.972 7.984 -0.012 18536 894 1 20 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.318 -0.092 18536 895 1 20 . 1 1 14 14 GLY H H 14 8.579 8.579 8.455 0.124 18536 896 1 20 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.702 0.209 18536 897 1 20 . 1 1 15 15 CYS H H 15 7.677 7.677 7.851 -0.174 18536 898 1 20 . 1 1 16 16 THR HA H 16 4.464 4.464 4.607 -0.143 18536 899 1 20 . 1 1 16 16 THR H H 16 9.017 9.017 8.315 0.702 18536 900 1 20 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.375 0.213 18536 901 1 20 . 1 1 17 17 CYS H H 17 9.050 9.050 8.413 0.637 18536 902 1 20 . 1 1 18 18 SER HA H 18 4.661 4.661 4.839 -0.178 18536 903 1 20 . 1 1 18 18 SER H H 18 8.938 8.938 8.540 0.398 18536 904 1 20 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.549 -0.442 18536 905 1 20 . 1 1 19 19 TRP H H 19 8.380 8.380 7.703 0.677 18536 906 1 20 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.667 0.699 18536 907 1 20 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.119 0.117 18536 908 1 20 . 1 1 21 21 VAL H H 21 8.226 8.226 7.434 0.792 18536 909 1 20 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.822 0.165 18536 910 1 20 . 1 1 22 22 CYS H H 22 7.975 7.975 8.246 -0.271 18536 911 1 20 . 1 1 23 23 GLY H H 23 8.748 8.748 8.845 -0.097 18536 912 1 20 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.515 0.256 18536 913 1 20 . 1 1 24 24 HIS H H 24 8.346 8.346 7.818 0.528 18536 914 1 20 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.755 -0.294 18536 915 1 20 . 1 1 25 25 PHE H H 25 8.411 8.411 8.038 0.373 18536 916 1 20 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.138 -0.259 18536 917 1 20 . 1 1 26 26 ARG H H 26 8.274 8.274 8.148 0.126 18536 918 1 20 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.628 0.049 18536 919 1 20 . 1 1 27 27 TRP H H 27 7.699 7.699 7.499 0.200 18536 920 1 20 . 1 1 28 28 GLY H H 28 7.922 7.922 8.630 -0.708 18536 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 18536 2 1 1 "Average Difference" HA 33 0.258 -0.024 0.261 18536 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18536 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18536 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18536 6 1 1 "Average Difference" HN 25 0.399 -0.089 0.397 18536 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18536 8 1 2 "Average Difference" HA 33 0.258 -0.062 0.254 18536 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18536 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18536 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18536 12 1 2 "Average Difference" HN 25 0.432 -0.109 0.427 18536 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18536 14 1 3 "Average Difference" HA 33 0.258 -0.047 0.258 18536 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18536 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18536 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18536 18 1 3 "Average Difference" HN 25 0.418 -0.112 0.411 18536 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18536 20 1 4 "Average Difference" HA 33 0.261 -0.000 0.265 18536 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18536 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18536 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18536 24 1 4 "Average Difference" HN 25 0.368 -0.071 0.369 18536 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18536 26 1 5 "Average Difference" HA 33 0.234 -0.025 0.236 18536 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18536 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18536 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18536 30 1 5 "Average Difference" HN 25 0.379 -0.083 0.378 18536 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18536 32 1 6 "Average Difference" HA 33 0.241 -0.061 0.236 18536 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18536 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18536 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18536 36 1 6 "Average Difference" HN 25 0.427 -0.099 0.423 18536 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18536 38 1 7 "Average Difference" HA 33 0.253 -0.039 0.253 18536 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18536 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18536 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18536 42 1 7 "Average Difference" HN 25 0.362 -0.081 0.360 18536 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18536 44 1 8 "Average Difference" HA 33 0.274 -0.095 0.260 18536 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18536 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18536 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18536 48 1 8 "Average Difference" HN 25 0.442 -0.105 0.438 18536 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18536 50 1 9 "Average Difference" HA 33 0.275 -0.084 0.266 18536 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18536 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18536 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18536 54 1 9 "Average Difference" HN 25 0.426 -0.164 0.401 18536 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18536 56 1 10 "Average Difference" HA 33 0.259 -0.069 0.253 18536 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18536 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18536 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18536 60 1 10 "Average Difference" HN 25 0.380 -0.149 0.356 18536 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18536 62 1 11 "Average Difference" HA 33 0.256 -0.030 0.258 18536 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18536 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18536 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18536 66 1 11 "Average Difference" HN 25 0.410 -0.101 0.405 18536 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18536 68 1 12 "Average Difference" HA 33 0.267 -0.020 0.270 18536 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18536 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18536 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18536 72 1 12 "Average Difference" HN 25 0.390 -0.072 0.391 18536 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18536 74 1 13 "Average Difference" HA 33 0.237 -0.048 0.236 18536 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18536 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18536 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18536 78 1 13 "Average Difference" HN 25 0.411 -0.097 0.408 18536 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18536 80 1 14 "Average Difference" HA 33 0.241 -0.045 0.240 18536 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18536 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18536 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18536 84 1 14 "Average Difference" HN 25 0.411 -0.122 0.401 18536 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18536 86 1 15 "Average Difference" HA 33 0.255 -0.051 0.253 18536 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18536 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18536 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18536 90 1 15 "Average Difference" HN 25 0.395 -0.084 0.394 18536 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18536 92 1 16 "Average Difference" HA 33 0.254 -0.023 0.257 18536 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18536 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18536 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18536 96 1 16 "Average Difference" HN 25 0.419 -0.111 0.412 18536 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18536 98 1 17 "Average Difference" HA 33 0.268 -0.067 0.264 18536 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18536 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18536 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18536 102 1 17 "Average Difference" HN 25 0.446 -0.169 0.421 18536 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18536 104 1 18 "Average Difference" HA 33 0.238 -0.049 0.237 18536 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18536 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18536 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18536 108 1 18 "Average Difference" HN 25 0.438 -0.114 0.432 18536 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18536 110 1 19 "Average Difference" HA 33 0.264 -0.076 0.256 18536 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18536 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18536 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18536 114 1 19 "Average Difference" HN 25 0.421 -0.139 0.406 18536 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18536 116 1 20 "Average Difference" HA 33 0.257 -0.080 0.248 18536 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18536 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18536 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18536 120 1 20 "Average Difference" HN 25 0.410 -0.159 0.386 18536 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 18536 _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 GLY H H 2 8.196 8.196 8.322 -0.126 18536 2 1 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.771 -0.252 18536 3 1 . 1 1 3 3 GLU H H 3 7.892 7.892 7.878 0.014 18536 4 1 . 1 1 4 4 THR HA H 4 4.597 4.597 4.564 0.033 18536 5 1 . 1 1 4 4 THR H H 4 8.143 8.143 8.288 -0.145 18536 6 1 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.884 -0.132 18536 7 1 . 1 1 5 5 CYS H H 5 8.564 8.564 8.551 0.013 18536 8 1 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.599 0.363 18536 9 1 . 1 1 6 6 VAL H H 6 8.369 8.369 7.941 0.428 18536 10 1 . 1 1 7 7 GLY H H 7 8.803 8.803 8.269 0.534 18536 11 1 . 1 1 8 8 GLY H H 8 8.267 8.267 8.081 0.186 18536 12 1 . 1 1 9 9 THR HA H 9 4.624 4.624 4.542 0.082 18536 13 1 . 1 1 9 9 THR H H 9 7.680 7.680 7.786 -0.106 18536 14 1 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.692 0.053 18536 15 1 . 1 1 10 10 CYS H H 10 8.068 8.068 8.582 -0.514 18536 16 1 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.743 -0.153 18536 17 1 . 1 1 11 11 ASN H H 11 8.739 8.739 8.480 0.259 18536 18 1 . 1 1 12 12 THR HA H 12 4.531 4.531 4.764 -0.233 18536 19 1 . 1 1 12 12 THR H H 12 7.972 7.972 7.948 0.024 18536 20 1 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.345 -0.119 18536 21 1 . 1 1 14 14 GLY H H 14 8.579 8.579 8.479 0.100 18536 22 1 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.703 0.208 18536 23 1 . 1 1 15 15 CYS H H 15 7.677 7.677 7.842 -0.165 18536 24 1 . 1 1 16 16 THR HA H 16 4.464 4.464 4.673 -0.209 18536 25 1 . 1 1 16 16 THR H H 16 9.017 9.017 8.283 0.734 18536 26 1 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.531 0.056 18536 27 1 . 1 1 17 17 CYS H H 17 9.050 9.050 8.581 0.469 18536 28 1 . 1 1 18 18 SER HA H 18 4.661 4.661 4.797 -0.136 18536 29 1 . 1 1 18 18 SER H H 18 8.938 8.938 8.540 0.398 18536 30 1 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.561 -0.454 18536 31 1 . 1 1 19 19 TRP H H 19 8.380 8.380 7.801 0.579 18536 32 1 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.723 0.643 18536 33 1 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.991 0.245 18536 34 1 . 1 1 21 21 VAL H H 21 8.226 8.226 7.452 0.774 18536 35 1 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.801 0.186 18536 36 1 . 1 1 22 22 CYS H H 22 7.975 7.975 8.157 -0.182 18536 37 1 . 1 1 23 23 GLY H H 23 8.748 8.748 8.809 -0.061 18536 38 1 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.925 -0.154 18536 39 1 . 1 1 24 24 HIS H H 24 8.346 8.346 7.961 0.385 18536 40 1 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.677 -0.216 18536 41 1 . 1 1 25 25 PHE H H 25 8.411 8.411 8.630 -0.219 18536 42 1 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.050 -0.171 18536 43 1 . 1 1 26 26 ARG H H 26 8.274 8.274 8.268 0.006 18536 44 1 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.599 0.078 18536 45 1 . 1 1 27 27 TRP H H 27 7.699 7.699 7.545 0.154 18536 46 1 . 1 1 28 28 GLY H H 28 7.922 7.922 8.675 -0.753 18536 stop_ save_