data_18865 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18865 _Entry.PDB_ID 2M1J 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 18865 _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 ARG HA H 2 4.502 4.502 4.158 0.344 18865 2 1 1 . 1 1 2 2 ARG H H 2 8.772 8.772 8.298 0.474 18865 3 1 1 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.109 0.267 18865 4 1 1 . 1 1 3 3 LYS H H 3 8.381 8.381 8.219 0.162 18865 5 1 1 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.780 1.081 18865 6 1 1 . 1 1 4 4 HIS H H 4 8.521 8.521 7.244 1.277 18865 7 1 1 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.658 -0.156 18865 8 1 1 . 1 1 5 5 LEU H H 5 8.459 8.459 7.618 0.841 18865 9 1 1 . 1 1 6 6 GLY H H 6 8.393 8.393 8.290 0.103 18865 10 1 1 . 1 1 7 7 GLY H H 7 8.631 8.631 8.027 0.604 18865 11 1 1 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.223 0.295 18865 12 1 1 . 1 1 8 8 CYS H H 8 8.819 8.819 8.599 0.220 18865 13 1 1 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.357 0.083 18865 14 1 1 . 1 1 9 9 TRP H H 9 8.130 8.130 8.515 -0.385 18865 15 1 1 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.411 0.606 18865 16 1 1 . 1 1 10 10 LEU H H 10 7.752 7.752 7.844 -0.092 18865 17 1 1 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.987 -0.017 18865 18 1 1 . 1 1 11 11 ALA H H 11 7.864 7.864 7.643 0.221 18865 19 1 1 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.665 -0.023 18865 20 1 1 . 1 1 12 12 ILE H H 12 7.995 7.995 7.261 0.734 18865 21 1 1 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.362 0.261 18865 22 1 1 . 1 1 13 13 VAL H H 13 8.256 8.256 6.725 1.531 18865 23 1 1 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.921 0.159 18865 24 1 1 . 1 1 14 14 CYS H H 14 8.302 8.302 8.527 -0.225 18865 25 1 1 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.871 1.896 18865 26 1 1 . 1 1 15 15 VAL H H 15 8.239 8.239 7.214 1.025 18865 27 1 1 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.976 0.197 18865 28 1 1 . 1 1 16 16 LEU H H 16 8.379 8.379 7.090 1.289 18865 29 1 1 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.127 0.030 18865 30 1 1 . 1 1 17 17 LEU H H 17 8.568 8.568 8.020 0.548 18865 31 1 1 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.687 -0.326 18865 32 1 1 . 1 1 18 18 PHE H H 18 8.632 8.632 7.828 0.804 18865 33 1 1 . 1 1 19 19 SER HA H 19 4.298 4.298 4.171 0.127 18865 34 1 1 . 1 1 19 19 SER H H 19 8.427 8.427 8.067 0.360 18865 35 1 1 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.039 0.368 18865 36 1 1 . 1 1 20 20 GLN H H 20 7.974 7.974 7.958 0.016 18865 37 1 1 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.047 0.250 18865 38 1 1 . 1 1 21 21 LEU H H 21 8.125 8.125 7.565 0.560 18865 39 1 1 . 1 1 22 22 SER HA H 22 4.340 4.340 4.391 -0.051 18865 40 1 1 . 1 1 22 22 SER H H 22 8.130 8.130 8.077 0.053 18865 41 1 1 . 1 1 23 23 SER HA H 23 4.533 4.533 4.526 0.007 18865 42 1 1 . 1 1 23 23 SER H H 23 7.952 7.952 7.821 0.131 18865 43 1 1 . 1 1 24 24 VAL HA H 24 4.079 4.079 3.936 0.143 18865 44 1 1 . 1 1 24 24 VAL H H 24 7.849 7.849 7.691 0.158 18865 45 1 1 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.502 -0.157 18865 46 1 1 . 1 1 25 25 LYS H H 25 8.115 8.115 7.946 0.169 18865 47 1 1 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.548 -0.141 18865 48 1 1 . 1 1 26 26 ALA H H 26 8.052 8.052 7.452 0.600 18865 49 1 1 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.143 0.295 18865 50 1 1 . 1 1 27 27 ARG H H 27 8.053 8.053 8.785 -0.732 18865 51 1 1 . 1 1 28 28 GLY H H 28 8.255 8.255 7.905 0.350 18865 52 1 1 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.753 0.563 18865 53 1 1 . 1 1 29 29 ILE H H 29 7.863 7.863 8.028 -0.165 18865 54 1 2 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.505 -0.003 18865 55 1 2 . 1 1 2 2 ARG H H 2 8.772 8.772 8.829 -0.057 18865 56 1 2 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.135 0.241 18865 57 1 2 . 1 1 3 3 LYS H H 3 8.381 8.381 8.270 0.111 18865 58 1 2 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.899 0.962 18865 59 1 2 . 1 1 4 4 HIS H H 4 8.521 8.521 7.196 1.325 18865 60 1 2 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.601 -0.099 18865 61 1 2 . 1 1 5 5 LEU H H 5 8.459 8.459 7.907 0.552 18865 62 1 2 . 1 1 6 6 GLY H H 6 8.393 8.393 8.324 0.069 18865 63 1 2 . 1 1 7 7 GLY H H 7 8.631 8.631 7.647 0.984 18865 64 1 2 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.274 0.244 18865 65 1 2 . 1 1 8 8 CYS H H 8 8.819 8.819 8.519 0.300 18865 66 1 2 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.311 0.129 18865 67 1 2 . 1 1 9 9 TRP H H 9 8.130 8.130 8.477 -0.347 18865 68 1 2 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.500 0.517 18865 69 1 2 . 1 1 10 10 LEU H H 10 7.752 7.752 8.047 -0.295 18865 70 1 2 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.995 -0.025 18865 71 1 2 . 1 1 11 11 ALA H H 11 7.864 7.864 7.554 0.310 18865 72 1 2 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.628 0.014 18865 73 1 2 . 1 1 12 12 ILE H H 12 7.995 7.995 7.253 0.742 18865 74 1 2 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.349 0.274 18865 75 1 2 . 1 1 13 13 VAL H H 13 8.256 8.256 6.751 1.505 18865 76 1 2 . 1 1 14 14 CYS HA H 14 4.080 4.080 4.027 0.053 18865 77 1 2 . 1 1 14 14 CYS H H 14 8.302 8.302 8.542 -0.240 18865 78 1 2 . 1 1 15 15 VAL HA H 15 3.767 3.767 2.373 1.394 18865 79 1 2 . 1 1 15 15 VAL H H 15 8.239 8.239 7.267 0.972 18865 80 1 2 . 1 1 16 16 LEU HA H 16 4.173 4.173 4.152 0.021 18865 81 1 2 . 1 1 16 16 LEU H H 16 8.379 8.379 7.527 0.852 18865 82 1 2 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.455 -0.298 18865 83 1 2 . 1 1 17 17 LEU H H 17 8.568 8.568 7.352 1.216 18865 84 1 2 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.662 -0.301 18865 85 1 2 . 1 1 18 18 PHE H H 18 8.632 8.632 8.651 -0.019 18865 86 1 2 . 1 1 19 19 SER HA H 19 4.298 4.298 4.074 0.224 18865 87 1 2 . 1 1 19 19 SER H H 19 8.427 8.427 7.655 0.772 18865 88 1 2 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.096 0.311 18865 89 1 2 . 1 1 20 20 GLN H H 20 7.974 7.974 7.408 0.566 18865 90 1 2 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.104 0.193 18865 91 1 2 . 1 1 21 21 LEU H H 21 8.125 8.125 7.465 0.660 18865 92 1 2 . 1 1 22 22 SER HA H 22 4.340 4.340 4.370 -0.030 18865 93 1 2 . 1 1 22 22 SER H H 22 8.130 8.130 8.254 -0.124 18865 94 1 2 . 1 1 23 23 SER HA H 23 4.533 4.533 4.405 0.128 18865 95 1 2 . 1 1 23 23 SER H H 23 7.952 7.952 8.001 -0.049 18865 96 1 2 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.007 0.072 18865 97 1 2 . 1 1 24 24 VAL H H 24 7.849 7.849 7.420 0.429 18865 98 1 2 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.567 -0.222 18865 99 1 2 . 1 1 25 25 LYS H H 25 8.115 8.115 8.005 0.110 18865 100 1 2 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.553 -0.146 18865 101 1 2 . 1 1 26 26 ALA H H 26 8.052 8.052 7.332 0.720 18865 102 1 2 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.000 0.438 18865 103 1 2 . 1 1 27 27 ARG H H 27 8.053 8.053 8.824 -0.771 18865 104 1 2 . 1 1 28 28 GLY H H 28 8.255 8.255 8.219 0.036 18865 105 1 2 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.826 0.490 18865 106 1 2 . 1 1 29 29 ILE H H 29 7.863 7.863 7.863 0.000 18865 107 1 3 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.251 0.251 18865 108 1 3 . 1 1 2 2 ARG H H 2 8.772 8.772 8.376 0.396 18865 109 1 3 . 1 1 3 3 LYS HA H 3 4.376 4.376 3.886 0.490 18865 110 1 3 . 1 1 3 3 LYS H H 3 8.381 8.381 8.303 0.078 18865 111 1 3 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.975 0.886 18865 112 1 3 . 1 1 4 4 HIS H H 4 8.521 8.521 7.008 1.513 18865 113 1 3 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.657 -0.155 18865 114 1 3 . 1 1 5 5 LEU H H 5 8.459 8.459 7.940 0.519 18865 115 1 3 . 1 1 6 6 GLY H H 6 8.393 8.393 8.366 0.027 18865 116 1 3 . 1 1 7 7 GLY H H 7 8.631 8.631 7.621 1.010 18865 117 1 3 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.317 0.201 18865 118 1 3 . 1 1 8 8 CYS H H 8 8.819 8.819 8.573 0.246 18865 119 1 3 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.336 0.104 18865 120 1 3 . 1 1 9 9 TRP H H 9 8.130 8.130 8.463 -0.333 18865 121 1 3 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.382 0.635 18865 122 1 3 . 1 1 10 10 LEU H H 10 7.752 7.752 8.103 -0.351 18865 123 1 3 . 1 1 11 11 ALA HA H 11 3.970 3.970 4.011 -0.041 18865 124 1 3 . 1 1 11 11 ALA H H 11 7.864 7.864 7.411 0.453 18865 125 1 3 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.739 -0.097 18865 126 1 3 . 1 1 12 12 ILE H H 12 7.995 7.995 7.452 0.543 18865 127 1 3 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.550 0.073 18865 128 1 3 . 1 1 13 13 VAL H H 13 8.256 8.256 7.071 1.185 18865 129 1 3 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.952 0.128 18865 130 1 3 . 1 1 14 14 CYS H H 14 8.302 8.302 8.490 -0.188 18865 131 1 3 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.949 1.818 18865 132 1 3 . 1 1 15 15 VAL H H 15 8.239 8.239 7.706 0.533 18865 133 1 3 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.999 0.174 18865 134 1 3 . 1 1 16 16 LEU H H 16 8.379 8.379 7.225 1.154 18865 135 1 3 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.262 -0.105 18865 136 1 3 . 1 1 17 17 LEU H H 17 8.568 8.568 7.366 1.202 18865 137 1 3 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.526 -0.165 18865 138 1 3 . 1 1 18 18 PHE H H 18 8.632 8.632 8.216 0.416 18865 139 1 3 . 1 1 19 19 SER HA H 19 4.298 4.298 4.242 0.056 18865 140 1 3 . 1 1 19 19 SER H H 19 8.427 8.427 7.634 0.793 18865 141 1 3 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.090 0.317 18865 142 1 3 . 1 1 20 20 GLN H H 20 7.974 7.974 7.686 0.288 18865 143 1 3 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.128 0.169 18865 144 1 3 . 1 1 21 21 LEU H H 21 8.125 8.125 8.003 0.122 18865 145 1 3 . 1 1 22 22 SER HA H 22 4.340 4.340 4.340 0.000 18865 146 1 3 . 1 1 22 22 SER H H 22 8.130 8.130 8.085 0.045 18865 147 1 3 . 1 1 23 23 SER HA H 23 4.533 4.533 4.453 0.080 18865 148 1 3 . 1 1 23 23 SER H H 23 7.952 7.952 7.604 0.348 18865 149 1 3 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.114 -0.035 18865 150 1 3 . 1 1 24 24 VAL H H 24 7.849 7.849 7.526 0.323 18865 151 1 3 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.476 -0.131 18865 152 1 3 . 1 1 25 25 LYS H H 25 8.115 8.115 7.990 0.125 18865 153 1 3 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.522 -0.115 18865 154 1 3 . 1 1 26 26 ALA H H 26 8.052 8.052 7.568 0.484 18865 155 1 3 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.163 0.275 18865 156 1 3 . 1 1 27 27 ARG H H 27 8.053 8.053 8.695 -0.642 18865 157 1 3 . 1 1 28 28 GLY H H 28 8.255 8.255 7.953 0.302 18865 158 1 3 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.917 0.399 18865 159 1 3 . 1 1 29 29 ILE H H 29 7.863 7.863 7.835 0.028 18865 160 1 4 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.459 0.043 18865 161 1 4 . 1 1 2 2 ARG H H 2 8.772 8.772 8.503 0.269 18865 162 1 4 . 1 1 3 3 LYS HA H 3 4.376 4.376 3.991 0.385 18865 163 1 4 . 1 1 3 3 LYS H H 3 8.381 8.381 8.454 -0.073 18865 164 1 4 . 1 1 4 4 HIS HA H 4 4.861 4.861 4.024 0.837 18865 165 1 4 . 1 1 4 4 HIS H H 4 8.521 8.521 7.333 1.188 18865 166 1 4 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.654 -0.152 18865 167 1 4 . 1 1 5 5 LEU H H 5 8.459 8.459 7.713 0.746 18865 168 1 4 . 1 1 6 6 GLY H H 6 8.393 8.393 8.390 0.003 18865 169 1 4 . 1 1 7 7 GLY H H 7 8.631 8.631 8.069 0.562 18865 170 1 4 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.220 0.298 18865 171 1 4 . 1 1 8 8 CYS H H 8 8.819 8.819 8.513 0.306 18865 172 1 4 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.394 0.046 18865 173 1 4 . 1 1 9 9 TRP H H 9 8.130 8.130 8.335 -0.205 18865 174 1 4 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.532 0.485 18865 175 1 4 . 1 1 10 10 LEU H H 10 7.752 7.752 7.909 -0.157 18865 176 1 4 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.941 0.029 18865 177 1 4 . 1 1 11 11 ALA H H 11 7.864 7.864 7.492 0.372 18865 178 1 4 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.646 -0.004 18865 179 1 4 . 1 1 12 12 ILE H H 12 7.995 7.995 7.325 0.670 18865 180 1 4 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.406 0.217 18865 181 1 4 . 1 1 13 13 VAL H H 13 8.256 8.256 6.910 1.346 18865 182 1 4 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.911 0.169 18865 183 1 4 . 1 1 14 14 CYS H H 14 8.302 8.302 8.311 -0.009 18865 184 1 4 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.770 1.997 18865 185 1 4 . 1 1 15 15 VAL H H 15 8.239 8.239 6.981 1.258 18865 186 1 4 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.891 0.282 18865 187 1 4 . 1 1 16 16 LEU H H 16 8.379 8.379 7.218 1.161 18865 188 1 4 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.108 0.049 18865 189 1 4 . 1 1 17 17 LEU H H 17 8.568 8.568 7.637 0.931 18865 190 1 4 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.693 -0.332 18865 191 1 4 . 1 1 18 18 PHE H H 18 8.632 8.632 7.778 0.854 18865 192 1 4 . 1 1 19 19 SER HA H 19 4.298 4.298 4.168 0.130 18865 193 1 4 . 1 1 19 19 SER H H 19 8.427 8.427 8.041 0.386 18865 194 1 4 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.055 0.352 18865 195 1 4 . 1 1 20 20 GLN H H 20 7.974 7.974 7.669 0.305 18865 196 1 4 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.148 0.149 18865 197 1 4 . 1 1 21 21 LEU H H 21 8.125 8.125 7.601 0.524 18865 198 1 4 . 1 1 22 22 SER HA H 22 4.340 4.340 4.316 0.024 18865 199 1 4 . 1 1 22 22 SER H H 22 8.130 8.130 8.115 0.015 18865 200 1 4 . 1 1 23 23 SER HA H 23 4.533 4.533 4.560 -0.027 18865 201 1 4 . 1 1 23 23 SER H H 23 7.952 7.952 7.745 0.207 18865 202 1 4 . 1 1 24 24 VAL HA H 24 4.079 4.079 3.952 0.127 18865 203 1 4 . 1 1 24 24 VAL H H 24 7.849 7.849 7.566 0.283 18865 204 1 4 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.530 -0.185 18865 205 1 4 . 1 1 25 25 LYS H H 25 8.115 8.115 7.940 0.175 18865 206 1 4 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.529 -0.122 18865 207 1 4 . 1 1 26 26 ALA H H 26 8.052 8.052 7.329 0.723 18865 208 1 4 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.100 0.338 18865 209 1 4 . 1 1 27 27 ARG H H 27 8.053 8.053 8.777 -0.724 18865 210 1 4 . 1 1 28 28 GLY H H 28 8.255 8.255 7.969 0.286 18865 211 1 4 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.765 0.551 18865 212 1 4 . 1 1 29 29 ILE H H 29 7.863 7.863 8.081 -0.218 18865 213 1 5 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.234 0.268 18865 214 1 5 . 1 1 2 2 ARG H H 2 8.772 8.772 8.436 0.336 18865 215 1 5 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.237 0.139 18865 216 1 5 . 1 1 3 3 LYS H H 3 8.381 8.381 8.021 0.360 18865 217 1 5 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.458 1.403 18865 218 1 5 . 1 1 4 4 HIS H H 4 8.521 8.521 6.845 1.676 18865 219 1 5 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.713 -0.211 18865 220 1 5 . 1 1 5 5 LEU H H 5 8.459 8.459 7.710 0.749 18865 221 1 5 . 1 1 6 6 GLY H H 6 8.393 8.393 8.429 -0.036 18865 222 1 5 . 1 1 7 7 GLY H H 7 8.631 8.631 8.027 0.604 18865 223 1 5 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.251 0.267 18865 224 1 5 . 1 1 8 8 CYS H H 8 8.819 8.819 8.525 0.294 18865 225 1 5 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.372 0.068 18865 226 1 5 . 1 1 9 9 TRP H H 9 8.130 8.130 8.239 -0.109 18865 227 1 5 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.388 0.629 18865 228 1 5 . 1 1 10 10 LEU H H 10 7.752 7.752 8.429 -0.677 18865 229 1 5 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.954 0.016 18865 230 1 5 . 1 1 11 11 ALA H H 11 7.864 7.864 7.433 0.431 18865 231 1 5 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.672 -0.030 18865 232 1 5 . 1 1 12 12 ILE H H 12 7.995 7.995 7.632 0.363 18865 233 1 5 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.452 0.171 18865 234 1 5 . 1 1 13 13 VAL H H 13 8.256 8.256 6.847 1.409 18865 235 1 5 . 1 1 14 14 CYS HA H 14 4.080 4.080 4.011 0.069 18865 236 1 5 . 1 1 14 14 CYS H H 14 8.302 8.302 8.327 -0.025 18865 237 1 5 . 1 1 15 15 VAL HA H 15 3.767 3.767 2.609 1.158 18865 238 1 5 . 1 1 15 15 VAL H H 15 8.239 8.239 7.257 0.982 18865 239 1 5 . 1 1 16 16 LEU HA H 16 4.173 4.173 4.012 0.161 18865 240 1 5 . 1 1 16 16 LEU H H 16 8.379 8.379 7.132 1.247 18865 241 1 5 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.097 0.060 18865 242 1 5 . 1 1 17 17 LEU H H 17 8.568 8.568 7.967 0.601 18865 243 1 5 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.665 -0.304 18865 244 1 5 . 1 1 18 18 PHE H H 18 8.632 8.632 8.392 0.240 18865 245 1 5 . 1 1 19 19 SER HA H 19 4.298 4.298 4.122 0.176 18865 246 1 5 . 1 1 19 19 SER H H 19 8.427 8.427 7.443 0.984 18865 247 1 5 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.042 0.365 18865 248 1 5 . 1 1 20 20 GLN H H 20 7.974 7.974 7.468 0.506 18865 249 1 5 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.122 0.175 18865 250 1 5 . 1 1 21 21 LEU H H 21 8.125 8.125 7.449 0.676 18865 251 1 5 . 1 1 22 22 SER HA H 22 4.340 4.340 4.474 -0.134 18865 252 1 5 . 1 1 22 22 SER H H 22 8.130 8.130 8.179 -0.049 18865 253 1 5 . 1 1 23 23 SER HA H 23 4.533 4.533 4.449 0.084 18865 254 1 5 . 1 1 23 23 SER H H 23 7.952 7.952 7.853 0.099 18865 255 1 5 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.015 0.064 18865 256 1 5 . 1 1 24 24 VAL H H 24 7.849 7.849 7.648 0.201 18865 257 1 5 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.547 -0.202 18865 258 1 5 . 1 1 25 25 LYS H H 25 8.115 8.115 8.057 0.058 18865 259 1 5 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.553 -0.146 18865 260 1 5 . 1 1 26 26 ALA H H 26 8.052 8.052 7.458 0.594 18865 261 1 5 . 1 1 27 27 ARG HA H 27 4.438 4.438 3.990 0.448 18865 262 1 5 . 1 1 27 27 ARG H H 27 8.053 8.053 8.689 -0.636 18865 263 1 5 . 1 1 28 28 GLY H H 28 8.255 8.255 8.206 0.049 18865 264 1 5 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.826 0.490 18865 265 1 5 . 1 1 29 29 ILE H H 29 7.863 7.863 8.054 -0.191 18865 266 1 6 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.244 0.258 18865 267 1 6 . 1 1 2 2 ARG H H 2 8.772 8.772 8.294 0.478 18865 268 1 6 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.067 0.309 18865 269 1 6 . 1 1 3 3 LYS H H 3 8.381 8.381 8.224 0.157 18865 270 1 6 . 1 1 4 4 HIS HA H 4 4.861 4.861 2.644 2.217 18865 271 1 6 . 1 1 4 4 HIS H H 4 8.521 8.521 8.205 0.316 18865 272 1 6 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.519 -0.017 18865 273 1 6 . 1 1 5 5 LEU H H 5 8.459 8.459 7.454 1.005 18865 274 1 6 . 1 1 6 6 GLY H H 6 8.393 8.393 8.271 0.122 18865 275 1 6 . 1 1 7 7 GLY H H 7 8.631 8.631 8.043 0.588 18865 276 1 6 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.247 0.271 18865 277 1 6 . 1 1 8 8 CYS H H 8 8.819 8.819 8.521 0.298 18865 278 1 6 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.389 0.051 18865 279 1 6 . 1 1 9 9 TRP H H 9 8.130 8.130 8.228 -0.098 18865 280 1 6 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.462 0.555 18865 281 1 6 . 1 1 10 10 LEU H H 10 7.752 7.752 8.295 -0.543 18865 282 1 6 . 1 1 11 11 ALA HA H 11 3.970 3.970 4.010 -0.040 18865 283 1 6 . 1 1 11 11 ALA H H 11 7.864 7.864 7.503 0.361 18865 284 1 6 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.631 0.011 18865 285 1 6 . 1 1 12 12 ILE H H 12 7.995 7.995 7.562 0.433 18865 286 1 6 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.434 0.189 18865 287 1 6 . 1 1 13 13 VAL H H 13 8.256 8.256 6.860 1.396 18865 288 1 6 . 1 1 14 14 CYS HA H 14 4.080 4.080 4.010 0.070 18865 289 1 6 . 1 1 14 14 CYS H H 14 8.302 8.302 8.317 -0.015 18865 290 1 6 . 1 1 15 15 VAL HA H 15 3.767 3.767 2.115 1.652 18865 291 1 6 . 1 1 15 15 VAL H H 15 8.239 8.239 7.101 1.138 18865 292 1 6 . 1 1 16 16 LEU HA H 16 4.173 4.173 4.026 0.147 18865 293 1 6 . 1 1 16 16 LEU H H 16 8.379 8.379 7.422 0.957 18865 294 1 6 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.378 -0.221 18865 295 1 6 . 1 1 17 17 LEU H H 17 8.568 8.568 7.344 1.224 18865 296 1 6 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.748 -0.387 18865 297 1 6 . 1 1 18 18 PHE H H 18 8.632 8.632 8.420 0.212 18865 298 1 6 . 1 1 19 19 SER HA H 19 4.298 4.298 4.334 -0.036 18865 299 1 6 . 1 1 19 19 SER H H 19 8.427 8.427 7.640 0.787 18865 300 1 6 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.132 0.275 18865 301 1 6 . 1 1 20 20 GLN H H 20 7.974 7.974 7.895 0.079 18865 302 1 6 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.059 0.238 18865 303 1 6 . 1 1 21 21 LEU H H 21 8.125 8.125 7.514 0.611 18865 304 1 6 . 1 1 22 22 SER HA H 22 4.340 4.340 4.321 0.019 18865 305 1 6 . 1 1 22 22 SER H H 22 8.130 8.130 8.172 -0.042 18865 306 1 6 . 1 1 23 23 SER HA H 23 4.533 4.533 4.408 0.125 18865 307 1 6 . 1 1 23 23 SER H H 23 7.952 7.952 7.812 0.140 18865 308 1 6 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.200 -0.121 18865 309 1 6 . 1 1 24 24 VAL H H 24 7.849 7.849 7.694 0.155 18865 310 1 6 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.610 -0.265 18865 311 1 6 . 1 1 25 25 LYS H H 25 8.115 8.115 7.989 0.126 18865 312 1 6 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.611 -0.204 18865 313 1 6 . 1 1 26 26 ALA H H 26 8.052 8.052 7.571 0.481 18865 314 1 6 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.063 0.375 18865 315 1 6 . 1 1 27 27 ARG H H 27 8.053 8.053 8.779 -0.726 18865 316 1 6 . 1 1 28 28 GLY H H 28 8.255 8.255 8.052 0.203 18865 317 1 6 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.824 0.492 18865 318 1 6 . 1 1 29 29 ILE H H 29 7.863 7.863 7.897 -0.034 18865 319 1 7 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.249 0.253 18865 320 1 7 . 1 1 2 2 ARG H H 2 8.772 8.772 8.175 0.597 18865 321 1 7 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.051 0.325 18865 322 1 7 . 1 1 3 3 LYS H H 3 8.381 8.381 8.579 -0.198 18865 323 1 7 . 1 1 4 4 HIS HA H 4 4.861 4.861 4.438 0.423 18865 324 1 7 . 1 1 4 4 HIS H H 4 8.521 8.521 7.862 0.659 18865 325 1 7 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.956 -0.454 18865 326 1 7 . 1 1 5 5 LEU H H 5 8.459 8.459 8.090 0.369 18865 327 1 7 . 1 1 6 6 GLY H H 6 8.393 8.393 8.378 0.015 18865 328 1 7 . 1 1 7 7 GLY H H 7 8.631 8.631 7.967 0.664 18865 329 1 7 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.212 0.306 18865 330 1 7 . 1 1 8 8 CYS H H 8 8.819 8.819 8.494 0.325 18865 331 1 7 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.395 0.045 18865 332 1 7 . 1 1 9 9 TRP H H 9 8.130 8.130 8.366 -0.236 18865 333 1 7 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.249 0.768 18865 334 1 7 . 1 1 10 10 LEU H H 10 7.752 7.752 7.763 -0.011 18865 335 1 7 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.886 0.084 18865 336 1 7 . 1 1 11 11 ALA H H 11 7.864 7.864 7.434 0.430 18865 337 1 7 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.589 0.053 18865 338 1 7 . 1 1 12 12 ILE H H 12 7.995 7.995 7.453 0.542 18865 339 1 7 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.458 0.165 18865 340 1 7 . 1 1 13 13 VAL H H 13 8.256 8.256 7.043 1.213 18865 341 1 7 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.963 0.117 18865 342 1 7 . 1 1 14 14 CYS H H 14 8.302 8.302 8.274 0.028 18865 343 1 7 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.768 1.999 18865 344 1 7 . 1 1 15 15 VAL H H 15 8.239 8.239 7.548 0.691 18865 345 1 7 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.927 0.246 18865 346 1 7 . 1 1 16 16 LEU H H 16 8.379 8.379 7.234 1.145 18865 347 1 7 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.033 0.124 18865 348 1 7 . 1 1 17 17 LEU H H 17 8.568 8.568 7.676 0.892 18865 349 1 7 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.613 -0.252 18865 350 1 7 . 1 1 18 18 PHE H H 18 8.632 8.632 8.214 0.418 18865 351 1 7 . 1 1 19 19 SER HA H 19 4.298 4.298 4.197 0.101 18865 352 1 7 . 1 1 19 19 SER H H 19 8.427 8.427 7.915 0.512 18865 353 1 7 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.082 0.325 18865 354 1 7 . 1 1 20 20 GLN H H 20 7.974 7.974 7.875 0.099 18865 355 1 7 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.082 0.215 18865 356 1 7 . 1 1 21 21 LEU H H 21 8.125 8.125 7.837 0.288 18865 357 1 7 . 1 1 22 22 SER HA H 22 4.340 4.340 4.424 -0.084 18865 358 1 7 . 1 1 22 22 SER H H 22 8.130 8.130 7.658 0.472 18865 359 1 7 . 1 1 23 23 SER HA H 23 4.533 4.533 4.527 0.006 18865 360 1 7 . 1 1 23 23 SER H H 23 7.952 7.952 7.872 0.080 18865 361 1 7 . 1 1 24 24 VAL HA H 24 4.079 4.079 3.956 0.123 18865 362 1 7 . 1 1 24 24 VAL H H 24 7.849 7.849 7.713 0.136 18865 363 1 7 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.516 -0.171 18865 364 1 7 . 1 1 25 25 LYS H H 25 8.115 8.115 8.078 0.037 18865 365 1 7 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.511 -0.104 18865 366 1 7 . 1 1 26 26 ALA H H 26 8.052 8.052 7.102 0.950 18865 367 1 7 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.043 0.395 18865 368 1 7 . 1 1 27 27 ARG H H 27 8.053 8.053 8.704 -0.651 18865 369 1 7 . 1 1 28 28 GLY H H 28 8.255 8.255 8.092 0.163 18865 370 1 7 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.805 0.511 18865 371 1 7 . 1 1 29 29 ILE H H 29 7.863 7.863 8.069 -0.206 18865 372 1 8 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.489 0.013 18865 373 1 8 . 1 1 2 2 ARG H H 2 8.772 8.772 7.755 1.017 18865 374 1 8 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.013 0.363 18865 375 1 8 . 1 1 3 3 LYS H H 3 8.381 8.381 8.271 0.110 18865 376 1 8 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.799 1.062 18865 377 1 8 . 1 1 4 4 HIS H H 4 8.521 8.521 6.911 1.610 18865 378 1 8 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.681 -0.179 18865 379 1 8 . 1 1 5 5 LEU H H 5 8.459 8.459 7.745 0.714 18865 380 1 8 . 1 1 6 6 GLY H H 6 8.393 8.393 8.374 0.019 18865 381 1 8 . 1 1 7 7 GLY H H 7 8.631 8.631 7.927 0.704 18865 382 1 8 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.262 0.256 18865 383 1 8 . 1 1 8 8 CYS H H 8 8.819 8.819 8.523 0.296 18865 384 1 8 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.367 0.073 18865 385 1 8 . 1 1 9 9 TRP H H 9 8.130 8.130 8.424 -0.294 18865 386 1 8 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.446 0.571 18865 387 1 8 . 1 1 10 10 LEU H H 10 7.752 7.752 8.217 -0.465 18865 388 1 8 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.964 0.006 18865 389 1 8 . 1 1 11 11 ALA H H 11 7.864 7.864 7.466 0.398 18865 390 1 8 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.667 -0.025 18865 391 1 8 . 1 1 12 12 ILE H H 12 7.995 7.995 7.548 0.447 18865 392 1 8 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.511 0.112 18865 393 1 8 . 1 1 13 13 VAL H H 13 8.256 8.256 6.840 1.416 18865 394 1 8 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.959 0.121 18865 395 1 8 . 1 1 14 14 CYS H H 14 8.302 8.302 8.480 -0.178 18865 396 1 8 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.829 1.938 18865 397 1 8 . 1 1 15 15 VAL H H 15 8.239 8.239 7.012 1.227 18865 398 1 8 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.910 0.263 18865 399 1 8 . 1 1 16 16 LEU H H 16 8.379 8.379 7.135 1.244 18865 400 1 8 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.075 0.082 18865 401 1 8 . 1 1 17 17 LEU H H 17 8.568 8.568 7.781 0.787 18865 402 1 8 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.629 -0.268 18865 403 1 8 . 1 1 18 18 PHE H H 18 8.632 8.632 8.101 0.531 18865 404 1 8 . 1 1 19 19 SER HA H 19 4.298 4.298 4.155 0.143 18865 405 1 8 . 1 1 19 19 SER H H 19 8.427 8.427 7.934 0.493 18865 406 1 8 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.112 0.295 18865 407 1 8 . 1 1 20 20 GLN H H 20 7.974 7.974 7.924 0.050 18865 408 1 8 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.043 0.254 18865 409 1 8 . 1 1 21 21 LEU H H 21 8.125 8.125 7.435 0.690 18865 410 1 8 . 1 1 22 22 SER HA H 22 4.340 4.340 4.250 0.090 18865 411 1 8 . 1 1 22 22 SER H H 22 8.130 8.130 8.240 -0.110 18865 412 1 8 . 1 1 23 23 SER HA H 23 4.533 4.533 4.397 0.136 18865 413 1 8 . 1 1 23 23 SER H H 23 7.952 7.952 8.009 -0.057 18865 414 1 8 . 1 1 24 24 VAL HA H 24 4.079 4.079 3.959 0.120 18865 415 1 8 . 1 1 24 24 VAL H H 24 7.849 7.849 7.513 0.336 18865 416 1 8 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.401 -0.056 18865 417 1 8 . 1 1 25 25 LYS H H 25 8.115 8.115 8.087 0.028 18865 418 1 8 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.488 -0.081 18865 419 1 8 . 1 1 26 26 ALA H H 26 8.052 8.052 7.671 0.381 18865 420 1 8 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.140 0.298 18865 421 1 8 . 1 1 27 27 ARG H H 27 8.053 8.053 8.734 -0.681 18865 422 1 8 . 1 1 28 28 GLY H H 28 8.255 8.255 7.683 0.572 18865 423 1 8 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.784 0.532 18865 424 1 8 . 1 1 29 29 ILE H H 29 7.863 7.863 7.961 -0.098 18865 425 1 9 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.272 0.230 18865 426 1 9 . 1 1 2 2 ARG H H 2 8.772 8.772 8.376 0.396 18865 427 1 9 . 1 1 3 3 LYS HA H 3 4.376 4.376 3.941 0.435 18865 428 1 9 . 1 1 3 3 LYS H H 3 8.381 8.381 8.404 -0.023 18865 429 1 9 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.446 1.415 18865 430 1 9 . 1 1 4 4 HIS H H 4 8.521 8.521 7.730 0.791 18865 431 1 9 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.448 0.054 18865 432 1 9 . 1 1 5 5 LEU H H 5 8.459 8.459 7.060 1.399 18865 433 1 9 . 1 1 6 6 GLY H H 6 8.393 8.393 8.279 0.114 18865 434 1 9 . 1 1 7 7 GLY H H 7 8.631 8.631 8.007 0.624 18865 435 1 9 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.231 0.287 18865 436 1 9 . 1 1 8 8 CYS H H 8 8.819 8.819 8.505 0.314 18865 437 1 9 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.451 -0.011 18865 438 1 9 . 1 1 9 9 TRP H H 9 8.130 8.130 7.833 0.297 18865 439 1 9 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.526 0.491 18865 440 1 9 . 1 1 10 10 LEU H H 10 7.752 7.752 8.538 -0.786 18865 441 1 9 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.926 0.044 18865 442 1 9 . 1 1 11 11 ALA H H 11 7.864 7.864 8.209 -0.345 18865 443 1 9 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.666 -0.024 18865 444 1 9 . 1 1 12 12 ILE H H 12 7.995 7.995 7.382 0.613 18865 445 1 9 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.466 0.157 18865 446 1 9 . 1 1 13 13 VAL H H 13 8.256 8.256 6.709 1.547 18865 447 1 9 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.929 0.151 18865 448 1 9 . 1 1 14 14 CYS H H 14 8.302 8.302 8.396 -0.094 18865 449 1 9 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.478 2.289 18865 450 1 9 . 1 1 15 15 VAL H H 15 8.239 8.239 7.113 1.126 18865 451 1 9 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.980 0.193 18865 452 1 9 . 1 1 16 16 LEU H H 16 8.379 8.379 7.585 0.794 18865 453 1 9 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.310 -0.153 18865 454 1 9 . 1 1 17 17 LEU H H 17 8.568 8.568 7.309 1.259 18865 455 1 9 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.710 -0.349 18865 456 1 9 . 1 1 18 18 PHE H H 18 8.632 8.632 7.961 0.671 18865 457 1 9 . 1 1 19 19 SER HA H 19 4.298 4.298 4.391 -0.093 18865 458 1 9 . 1 1 19 19 SER H H 19 8.427 8.427 8.040 0.387 18865 459 1 9 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.016 0.391 18865 460 1 9 . 1 1 20 20 GLN H H 20 7.974 7.974 8.478 -0.504 18865 461 1 9 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.177 0.120 18865 462 1 9 . 1 1 21 21 LEU H H 21 8.125 8.125 8.019 0.106 18865 463 1 9 . 1 1 22 22 SER HA H 22 4.340 4.340 4.239 0.101 18865 464 1 9 . 1 1 22 22 SER H H 22 8.130 8.130 7.359 0.771 18865 465 1 9 . 1 1 23 23 SER HA H 23 4.533 4.533 4.552 -0.019 18865 466 1 9 . 1 1 23 23 SER H H 23 7.952 7.952 7.916 0.036 18865 467 1 9 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.011 0.068 18865 468 1 9 . 1 1 24 24 VAL H H 24 7.849 7.849 7.806 0.043 18865 469 1 9 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.543 -0.198 18865 470 1 9 . 1 1 25 25 LYS H H 25 8.115 8.115 8.137 -0.022 18865 471 1 9 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.558 -0.151 18865 472 1 9 . 1 1 26 26 ALA H H 26 8.052 8.052 7.442 0.610 18865 473 1 9 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.045 0.393 18865 474 1 9 . 1 1 27 27 ARG H H 27 8.053 8.053 8.712 -0.659 18865 475 1 9 . 1 1 28 28 GLY H H 28 8.255 8.255 7.815 0.440 18865 476 1 9 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.833 0.483 18865 477 1 9 . 1 1 29 29 ILE H H 29 7.863 7.863 7.940 -0.077 18865 478 1 10 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.125 0.377 18865 479 1 10 . 1 1 2 2 ARG H H 2 8.772 8.772 8.618 0.154 18865 480 1 10 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.301 0.075 18865 481 1 10 . 1 1 3 3 LYS H H 3 8.381 8.381 8.218 0.163 18865 482 1 10 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.858 1.003 18865 483 1 10 . 1 1 4 4 HIS H H 4 8.521 8.521 7.403 1.118 18865 484 1 10 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.703 -0.201 18865 485 1 10 . 1 1 5 5 LEU H H 5 8.459 8.459 7.787 0.672 18865 486 1 10 . 1 1 6 6 GLY H H 6 8.393 8.393 8.364 0.029 18865 487 1 10 . 1 1 7 7 GLY H H 7 8.631 8.631 7.632 0.999 18865 488 1 10 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.204 0.314 18865 489 1 10 . 1 1 8 8 CYS H H 8 8.819 8.819 8.574 0.245 18865 490 1 10 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.343 0.097 18865 491 1 10 . 1 1 9 9 TRP H H 9 8.130 8.130 8.391 -0.261 18865 492 1 10 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.387 0.630 18865 493 1 10 . 1 1 10 10 LEU H H 10 7.752 7.752 8.254 -0.502 18865 494 1 10 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.930 0.040 18865 495 1 10 . 1 1 11 11 ALA H H 11 7.864 7.864 7.468 0.396 18865 496 1 10 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.638 0.004 18865 497 1 10 . 1 1 12 12 ILE H H 12 7.995 7.995 7.518 0.477 18865 498 1 10 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.444 0.179 18865 499 1 10 . 1 1 13 13 VAL H H 13 8.256 8.256 6.838 1.418 18865 500 1 10 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.971 0.109 18865 501 1 10 . 1 1 14 14 CYS H H 14 8.302 8.302 8.371 -0.069 18865 502 1 10 . 1 1 15 15 VAL HA H 15 3.767 3.767 2.611 1.156 18865 503 1 10 . 1 1 15 15 VAL H H 15 8.239 8.239 7.144 1.095 18865 504 1 10 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.874 0.299 18865 505 1 10 . 1 1 16 16 LEU H H 16 8.379 8.379 7.262 1.117 18865 506 1 10 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.103 0.054 18865 507 1 10 . 1 1 17 17 LEU H H 17 8.568 8.568 8.068 0.500 18865 508 1 10 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.645 -0.284 18865 509 1 10 . 1 1 18 18 PHE H H 18 8.632 8.632 7.821 0.811 18865 510 1 10 . 1 1 19 19 SER HA H 19 4.298 4.298 4.133 0.165 18865 511 1 10 . 1 1 19 19 SER H H 19 8.427 8.427 7.429 0.998 18865 512 1 10 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.081 0.326 18865 513 1 10 . 1 1 20 20 GLN H H 20 7.974 7.974 7.951 0.023 18865 514 1 10 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.110 0.187 18865 515 1 10 . 1 1 21 21 LEU H H 21 8.125 8.125 7.435 0.690 18865 516 1 10 . 1 1 22 22 SER HA H 22 4.340 4.340 4.424 -0.084 18865 517 1 10 . 1 1 22 22 SER H H 22 8.130 8.130 7.831 0.299 18865 518 1 10 . 1 1 23 23 SER HA H 23 4.533 4.533 4.497 0.036 18865 519 1 10 . 1 1 23 23 SER H H 23 7.952 7.952 7.859 0.093 18865 520 1 10 . 1 1 24 24 VAL HA H 24 4.079 4.079 3.946 0.133 18865 521 1 10 . 1 1 24 24 VAL H H 24 7.849 7.849 7.942 -0.093 18865 522 1 10 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.568 -0.223 18865 523 1 10 . 1 1 25 25 LYS H H 25 8.115 8.115 8.060 0.055 18865 524 1 10 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.529 -0.122 18865 525 1 10 . 1 1 26 26 ALA H H 26 8.052 8.052 7.242 0.810 18865 526 1 10 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.170 0.268 18865 527 1 10 . 1 1 27 27 ARG H H 27 8.053 8.053 8.770 -0.717 18865 528 1 10 . 1 1 28 28 GLY H H 28 8.255 8.255 7.790 0.465 18865 529 1 10 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.796 0.520 18865 530 1 10 . 1 1 29 29 ILE H H 29 7.863 7.863 8.062 -0.199 18865 531 1 11 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.145 0.357 18865 532 1 11 . 1 1 2 2 ARG H H 2 8.772 8.772 8.349 0.423 18865 533 1 11 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.337 0.039 18865 534 1 11 . 1 1 3 3 LYS H H 3 8.381 8.381 8.254 0.127 18865 535 1 11 . 1 1 4 4 HIS HA H 4 4.861 4.861 4.088 0.773 18865 536 1 11 . 1 1 4 4 HIS H H 4 8.521 8.521 7.579 0.942 18865 537 1 11 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.789 -0.287 18865 538 1 11 . 1 1 5 5 LEU H H 5 8.459 8.459 7.743 0.716 18865 539 1 11 . 1 1 6 6 GLY H H 6 8.393 8.393 8.420 -0.027 18865 540 1 11 . 1 1 7 7 GLY H H 7 8.631 8.631 8.064 0.567 18865 541 1 11 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.203 0.315 18865 542 1 11 . 1 1 8 8 CYS H H 8 8.819 8.819 8.535 0.284 18865 543 1 11 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.359 0.081 18865 544 1 11 . 1 1 9 9 TRP H H 9 8.130 8.130 8.216 -0.086 18865 545 1 11 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.402 0.615 18865 546 1 11 . 1 1 10 10 LEU H H 10 7.752 7.752 8.157 -0.405 18865 547 1 11 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.926 0.044 18865 548 1 11 . 1 1 11 11 ALA H H 11 7.864 7.864 7.420 0.444 18865 549 1 11 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.549 0.093 18865 550 1 11 . 1 1 12 12 ILE H H 12 7.995 7.995 7.571 0.424 18865 551 1 11 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.410 0.213 18865 552 1 11 . 1 1 13 13 VAL H H 13 8.256 8.256 6.775 1.481 18865 553 1 11 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.927 0.153 18865 554 1 11 . 1 1 14 14 CYS H H 14 8.302 8.302 8.293 0.009 18865 555 1 11 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.907 1.860 18865 556 1 11 . 1 1 15 15 VAL H H 15 8.239 8.239 7.092 1.147 18865 557 1 11 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.873 0.300 18865 558 1 11 . 1 1 16 16 LEU H H 16 8.379 8.379 7.139 1.240 18865 559 1 11 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.117 0.040 18865 560 1 11 . 1 1 17 17 LEU H H 17 8.568 8.568 7.789 0.779 18865 561 1 11 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.748 -0.387 18865 562 1 11 . 1 1 18 18 PHE H H 18 8.632 8.632 7.464 1.168 18865 563 1 11 . 1 1 19 19 SER HA H 19 4.298 4.298 4.256 0.042 18865 564 1 11 . 1 1 19 19 SER H H 19 8.427 8.427 7.955 0.472 18865 565 1 11 . 1 1 20 20 GLN HA H 20 4.407 4.407 3.993 0.414 18865 566 1 11 . 1 1 20 20 GLN H H 20 7.974 7.974 7.764 0.210 18865 567 1 11 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.033 0.264 18865 568 1 11 . 1 1 21 21 LEU H H 21 8.125 8.125 7.712 0.413 18865 569 1 11 . 1 1 22 22 SER HA H 22 4.340 4.340 4.317 0.023 18865 570 1 11 . 1 1 22 22 SER H H 22 8.130 8.130 8.016 0.114 18865 571 1 11 . 1 1 23 23 SER HA H 23 4.533 4.533 4.452 0.081 18865 572 1 11 . 1 1 23 23 SER H H 23 7.952 7.952 7.753 0.199 18865 573 1 11 . 1 1 24 24 VAL HA H 24 4.079 4.079 3.911 0.168 18865 574 1 11 . 1 1 24 24 VAL H H 24 7.849 7.849 7.724 0.125 18865 575 1 11 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.406 -0.061 18865 576 1 11 . 1 1 25 25 LYS H H 25 8.115 8.115 8.217 -0.102 18865 577 1 11 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.540 -0.133 18865 578 1 11 . 1 1 26 26 ALA H H 26 8.052 8.052 7.503 0.549 18865 579 1 11 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.135 0.303 18865 580 1 11 . 1 1 27 27 ARG H H 27 8.053 8.053 8.725 -0.672 18865 581 1 11 . 1 1 28 28 GLY H H 28 8.255 8.255 8.084 0.171 18865 582 1 11 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.743 0.573 18865 583 1 11 . 1 1 29 29 ILE H H 29 7.863 7.863 8.051 -0.188 18865 584 1 12 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.617 -0.115 18865 585 1 12 . 1 1 2 2 ARG H H 2 8.772 8.772 8.095 0.677 18865 586 1 12 . 1 1 3 3 LYS HA H 3 4.376 4.376 3.933 0.443 18865 587 1 12 . 1 1 3 3 LYS H H 3 8.381 8.381 8.604 -0.223 18865 588 1 12 . 1 1 4 4 HIS HA H 4 4.861 4.861 4.026 0.835 18865 589 1 12 . 1 1 4 4 HIS H H 4 8.521 8.521 7.474 1.047 18865 590 1 12 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.661 -0.159 18865 591 1 12 . 1 1 5 5 LEU H H 5 8.459 8.459 7.536 0.923 18865 592 1 12 . 1 1 6 6 GLY H H 6 8.393 8.393 8.349 0.044 18865 593 1 12 . 1 1 7 7 GLY H H 7 8.631 8.631 8.053 0.578 18865 594 1 12 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.261 0.257 18865 595 1 12 . 1 1 8 8 CYS H H 8 8.819 8.819 8.498 0.321 18865 596 1 12 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.398 0.042 18865 597 1 12 . 1 1 9 9 TRP H H 9 8.130 8.130 8.239 -0.109 18865 598 1 12 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.670 0.347 18865 599 1 12 . 1 1 10 10 LEU H H 10 7.752 7.752 7.987 -0.235 18865 600 1 12 . 1 1 11 11 ALA HA H 11 3.970 3.970 4.013 -0.043 18865 601 1 12 . 1 1 11 11 ALA H H 11 7.864 7.864 7.526 0.338 18865 602 1 12 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.660 -0.018 18865 603 1 12 . 1 1 12 12 ILE H H 12 7.995 7.995 7.494 0.501 18865 604 1 12 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.493 0.130 18865 605 1 12 . 1 1 13 13 VAL H H 13 8.256 8.256 6.887 1.369 18865 606 1 12 . 1 1 14 14 CYS HA H 14 4.080 4.080 4.052 0.028 18865 607 1 12 . 1 1 14 14 CYS H H 14 8.302 8.302 8.566 -0.264 18865 608 1 12 . 1 1 15 15 VAL HA H 15 3.767 3.767 3.182 0.585 18865 609 1 12 . 1 1 15 15 VAL H H 15 8.239 8.239 7.554 0.685 18865 610 1 12 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.938 0.235 18865 611 1 12 . 1 1 16 16 LEU H H 16 8.379 8.379 7.240 1.139 18865 612 1 12 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.278 -0.121 18865 613 1 12 . 1 1 17 17 LEU H H 17 8.568 8.568 7.733 0.835 18865 614 1 12 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.616 -0.255 18865 615 1 12 . 1 1 18 18 PHE H H 18 8.632 8.632 8.569 0.063 18865 616 1 12 . 1 1 19 19 SER HA H 19 4.298 4.298 4.042 0.256 18865 617 1 12 . 1 1 19 19 SER H H 19 8.427 8.427 7.617 0.810 18865 618 1 12 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.075 0.332 18865 619 1 12 . 1 1 20 20 GLN H H 20 7.974 7.974 7.280 0.694 18865 620 1 12 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.055 0.242 18865 621 1 12 . 1 1 21 21 LEU H H 21 8.125 8.125 7.482 0.643 18865 622 1 12 . 1 1 22 22 SER HA H 22 4.340 4.340 4.453 -0.113 18865 623 1 12 . 1 1 22 22 SER H H 22 8.130 8.130 7.916 0.214 18865 624 1 12 . 1 1 23 23 SER HA H 23 4.533 4.533 4.348 0.185 18865 625 1 12 . 1 1 23 23 SER H H 23 7.952 7.952 7.675 0.277 18865 626 1 12 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.014 0.065 18865 627 1 12 . 1 1 24 24 VAL H H 24 7.849 7.849 7.516 0.333 18865 628 1 12 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.482 -0.138 18865 629 1 12 . 1 1 25 25 LYS H H 25 8.115 8.115 8.021 0.094 18865 630 1 12 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.549 -0.142 18865 631 1 12 . 1 1 26 26 ALA H H 26 8.052 8.052 7.397 0.655 18865 632 1 12 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.021 0.417 18865 633 1 12 . 1 1 27 27 ARG H H 27 8.053 8.053 8.755 -0.702 18865 634 1 12 . 1 1 28 28 GLY H H 28 8.255 8.255 7.950 0.305 18865 635 1 12 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.796 0.520 18865 636 1 12 . 1 1 29 29 ILE H H 29 7.863 7.863 7.883 -0.020 18865 637 1 13 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.586 -0.084 18865 638 1 13 . 1 1 2 2 ARG H H 2 8.772 8.772 8.561 0.211 18865 639 1 13 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.304 0.072 18865 640 1 13 . 1 1 3 3 LYS H H 3 8.381 8.381 8.412 -0.031 18865 641 1 13 . 1 1 4 4 HIS HA H 4 4.861 4.861 4.492 0.369 18865 642 1 13 . 1 1 4 4 HIS H H 4 8.521 8.521 7.909 0.612 18865 643 1 13 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.876 -0.374 18865 644 1 13 . 1 1 5 5 LEU H H 5 8.459 8.459 7.930 0.529 18865 645 1 13 . 1 1 6 6 GLY H H 6 8.393 8.393 8.396 -0.003 18865 646 1 13 . 1 1 7 7 GLY H H 7 8.631 8.631 8.070 0.561 18865 647 1 13 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.240 0.278 18865 648 1 13 . 1 1 8 8 CYS H H 8 8.819 8.819 8.532 0.287 18865 649 1 13 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.386 0.054 18865 650 1 13 . 1 1 9 9 TRP H H 9 8.130 8.130 8.302 -0.172 18865 651 1 13 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.661 0.356 18865 652 1 13 . 1 1 10 10 LEU H H 10 7.752 7.752 7.935 -0.183 18865 653 1 13 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.985 -0.015 18865 654 1 13 . 1 1 11 11 ALA H H 11 7.864 7.864 7.546 0.318 18865 655 1 13 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.664 -0.022 18865 656 1 13 . 1 1 12 12 ILE H H 12 7.995 7.995 7.368 0.627 18865 657 1 13 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.465 0.158 18865 658 1 13 . 1 1 13 13 VAL H H 13 8.256 8.256 6.889 1.367 18865 659 1 13 . 1 1 14 14 CYS HA H 14 4.080 4.080 4.019 0.061 18865 660 1 13 . 1 1 14 14 CYS H H 14 8.302 8.302 8.259 0.043 18865 661 1 13 . 1 1 15 15 VAL HA H 15 3.767 3.767 3.037 0.730 18865 662 1 13 . 1 1 15 15 VAL H H 15 8.239 8.239 7.110 1.129 18865 663 1 13 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.865 0.308 18865 664 1 13 . 1 1 16 16 LEU H H 16 8.379 8.379 7.294 1.085 18865 665 1 13 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.195 -0.038 18865 666 1 13 . 1 1 17 17 LEU H H 17 8.568 8.568 7.877 0.691 18865 667 1 13 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.797 -0.436 18865 668 1 13 . 1 1 18 18 PHE H H 18 8.632 8.632 7.350 1.282 18865 669 1 13 . 1 1 19 19 SER HA H 19 4.298 4.298 4.100 0.198 18865 670 1 13 . 1 1 19 19 SER H H 19 8.427 8.427 7.514 0.913 18865 671 1 13 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.041 0.366 18865 672 1 13 . 1 1 20 20 GLN H H 20 7.974 7.974 7.736 0.238 18865 673 1 13 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.154 0.143 18865 674 1 13 . 1 1 21 21 LEU H H 21 8.125 8.125 7.884 0.241 18865 675 1 13 . 1 1 22 22 SER HA H 22 4.340 4.340 4.207 0.133 18865 676 1 13 . 1 1 22 22 SER H H 22 8.130 8.130 8.437 -0.307 18865 677 1 13 . 1 1 23 23 SER HA H 23 4.533 4.533 4.528 0.005 18865 678 1 13 . 1 1 23 23 SER H H 23 7.952 7.952 7.771 0.181 18865 679 1 13 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.122 -0.043 18865 680 1 13 . 1 1 24 24 VAL H H 24 7.849 7.849 7.370 0.479 18865 681 1 13 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.520 -0.175 18865 682 1 13 . 1 1 25 25 LYS H H 25 8.115 8.115 8.060 0.055 18865 683 1 13 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.535 -0.128 18865 684 1 13 . 1 1 26 26 ALA H H 26 8.052 8.052 7.671 0.381 18865 685 1 13 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.096 0.342 18865 686 1 13 . 1 1 27 27 ARG H H 27 8.053 8.053 8.726 -0.673 18865 687 1 13 . 1 1 28 28 GLY H H 28 8.255 8.255 7.806 0.449 18865 688 1 13 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.718 0.598 18865 689 1 13 . 1 1 29 29 ILE H H 29 7.863 7.863 8.090 -0.227 18865 690 1 14 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.248 0.254 18865 691 1 14 . 1 1 2 2 ARG H H 2 8.772 8.772 8.224 0.548 18865 692 1 14 . 1 1 3 3 LYS HA H 3 4.376 4.376 3.961 0.415 18865 693 1 14 . 1 1 3 3 LYS H H 3 8.381 8.381 8.341 0.040 18865 694 1 14 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.656 1.205 18865 695 1 14 . 1 1 4 4 HIS H H 4 8.521 8.521 7.297 1.224 18865 696 1 14 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.735 -0.233 18865 697 1 14 . 1 1 5 5 LEU H H 5 8.459 8.459 7.793 0.666 18865 698 1 14 . 1 1 6 6 GLY H H 6 8.393 8.393 8.356 0.037 18865 699 1 14 . 1 1 7 7 GLY H H 7 8.631 8.631 7.635 0.996 18865 700 1 14 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.287 0.231 18865 701 1 14 . 1 1 8 8 CYS H H 8 8.819 8.819 8.536 0.283 18865 702 1 14 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.352 0.088 18865 703 1 14 . 1 1 9 9 TRP H H 9 8.130 8.130 8.488 -0.358 18865 704 1 14 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.517 0.500 18865 705 1 14 . 1 1 10 10 LEU H H 10 7.752 7.752 7.801 -0.049 18865 706 1 14 . 1 1 11 11 ALA HA H 11 3.970 3.970 4.008 -0.038 18865 707 1 14 . 1 1 11 11 ALA H H 11 7.864 7.864 7.756 0.108 18865 708 1 14 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.690 -0.048 18865 709 1 14 . 1 1 12 12 ILE H H 12 7.995 7.995 7.349 0.646 18865 710 1 14 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.504 0.119 18865 711 1 14 . 1 1 13 13 VAL H H 13 8.256 8.256 6.840 1.416 18865 712 1 14 . 1 1 14 14 CYS HA H 14 4.080 4.080 4.030 0.050 18865 713 1 14 . 1 1 14 14 CYS H H 14 8.302 8.302 8.470 -0.168 18865 714 1 14 . 1 1 15 15 VAL HA H 15 3.767 3.767 2.718 1.049 18865 715 1 14 . 1 1 15 15 VAL H H 15 8.239 8.239 7.260 0.979 18865 716 1 14 . 1 1 16 16 LEU HA H 16 4.173 4.173 4.074 0.099 18865 717 1 14 . 1 1 16 16 LEU H H 16 8.379 8.379 7.442 0.937 18865 718 1 14 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.373 -0.216 18865 719 1 14 . 1 1 17 17 LEU H H 17 8.568 8.568 7.410 1.158 18865 720 1 14 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.754 -0.393 18865 721 1 14 . 1 1 18 18 PHE H H 18 8.632 8.632 8.332 0.300 18865 722 1 14 . 1 1 19 19 SER HA H 19 4.298 4.298 4.077 0.221 18865 723 1 14 . 1 1 19 19 SER H H 19 8.427 8.427 7.569 0.858 18865 724 1 14 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.085 0.322 18865 725 1 14 . 1 1 20 20 GLN H H 20 7.974 7.974 7.660 0.314 18865 726 1 14 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.084 0.213 18865 727 1 14 . 1 1 21 21 LEU H H 21 8.125 8.125 8.022 0.103 18865 728 1 14 . 1 1 22 22 SER HA H 22 4.340 4.340 4.438 -0.098 18865 729 1 14 . 1 1 22 22 SER H H 22 8.130 8.130 8.058 0.072 18865 730 1 14 . 1 1 23 23 SER HA H 23 4.533 4.533 4.799 -0.266 18865 731 1 14 . 1 1 23 23 SER H H 23 7.952 7.952 7.467 0.485 18865 732 1 14 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.149 -0.070 18865 733 1 14 . 1 1 24 24 VAL H H 24 7.849 7.849 7.323 0.526 18865 734 1 14 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.307 0.038 18865 735 1 14 . 1 1 25 25 LYS H H 25 8.115 8.115 8.526 -0.411 18865 736 1 14 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.685 -0.278 18865 737 1 14 . 1 1 26 26 ALA H H 26 8.052 8.052 7.265 0.787 18865 738 1 14 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.090 0.348 18865 739 1 14 . 1 1 27 27 ARG H H 27 8.053 8.053 8.747 -0.694 18865 740 1 14 . 1 1 28 28 GLY H H 28 8.255 8.255 8.217 0.038 18865 741 1 14 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.776 0.540 18865 742 1 14 . 1 1 29 29 ILE H H 29 7.863 7.863 7.904 -0.041 18865 743 1 15 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.520 -0.018 18865 744 1 15 . 1 1 2 2 ARG H H 2 8.772 8.772 8.265 0.507 18865 745 1 15 . 1 1 3 3 LYS HA H 3 4.376 4.376 3.951 0.425 18865 746 1 15 . 1 1 3 3 LYS H H 3 8.381 8.381 8.071 0.310 18865 747 1 15 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.466 1.395 18865 748 1 15 . 1 1 4 4 HIS H H 4 8.521 8.521 7.114 1.407 18865 749 1 15 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.755 -0.253 18865 750 1 15 . 1 1 5 5 LEU H H 5 8.459 8.459 7.611 0.848 18865 751 1 15 . 1 1 6 6 GLY H H 6 8.393 8.393 8.367 0.026 18865 752 1 15 . 1 1 7 7 GLY H H 7 8.631 8.631 8.046 0.585 18865 753 1 15 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.180 0.338 18865 754 1 15 . 1 1 8 8 CYS H H 8 8.819 8.819 8.553 0.266 18865 755 1 15 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.392 0.048 18865 756 1 15 . 1 1 9 9 TRP H H 9 8.130 8.130 8.249 -0.119 18865 757 1 15 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.544 0.473 18865 758 1 15 . 1 1 10 10 LEU H H 10 7.752 7.752 8.058 -0.306 18865 759 1 15 . 1 1 11 11 ALA HA H 11 3.970 3.970 4.045 -0.075 18865 760 1 15 . 1 1 11 11 ALA H H 11 7.864 7.864 7.499 0.365 18865 761 1 15 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.711 -0.069 18865 762 1 15 . 1 1 12 12 ILE H H 12 7.995 7.995 7.569 0.426 18865 763 1 15 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.458 0.165 18865 764 1 15 . 1 1 13 13 VAL H H 13 8.256 8.256 6.850 1.406 18865 765 1 15 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.968 0.112 18865 766 1 15 . 1 1 14 14 CYS H H 14 8.302 8.302 8.382 -0.080 18865 767 1 15 . 1 1 15 15 VAL HA H 15 3.767 3.767 2.113 1.654 18865 768 1 15 . 1 1 15 15 VAL H H 15 8.239 8.239 7.228 1.011 18865 769 1 15 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.976 0.197 18865 770 1 15 . 1 1 16 16 LEU H H 16 8.379 8.379 7.099 1.280 18865 771 1 15 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.092 0.065 18865 772 1 15 . 1 1 17 17 LEU H H 17 8.568 8.568 8.113 0.455 18865 773 1 15 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.624 -0.263 18865 774 1 15 . 1 1 18 18 PHE H H 18 8.632 8.632 8.258 0.374 18865 775 1 15 . 1 1 19 19 SER HA H 19 4.298 4.298 4.149 0.149 18865 776 1 15 . 1 1 19 19 SER H H 19 8.427 8.427 7.568 0.859 18865 777 1 15 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.057 0.350 18865 778 1 15 . 1 1 20 20 GLN H H 20 7.974 7.974 8.046 -0.072 18865 779 1 15 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.046 0.251 18865 780 1 15 . 1 1 21 21 LEU H H 21 8.125 8.125 7.487 0.638 18865 781 1 15 . 1 1 22 22 SER HA H 22 4.340 4.340 4.276 0.064 18865 782 1 15 . 1 1 22 22 SER H H 22 8.130 8.130 8.304 -0.174 18865 783 1 15 . 1 1 23 23 SER HA H 23 4.533 4.533 4.335 0.198 18865 784 1 15 . 1 1 23 23 SER H H 23 7.952 7.952 7.936 0.016 18865 785 1 15 . 1 1 24 24 VAL HA H 24 4.079 4.079 3.991 0.088 18865 786 1 15 . 1 1 24 24 VAL H H 24 7.849 7.849 7.776 0.073 18865 787 1 15 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.487 -0.142 18865 788 1 15 . 1 1 25 25 LYS H H 25 8.115 8.115 8.031 0.084 18865 789 1 15 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.541 -0.134 18865 790 1 15 . 1 1 26 26 ALA H H 26 8.052 8.052 7.679 0.373 18865 791 1 15 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.239 0.199 18865 792 1 15 . 1 1 27 27 ARG H H 27 8.053 8.053 8.686 -0.633 18865 793 1 15 . 1 1 28 28 GLY H H 28 8.255 8.255 7.916 0.339 18865 794 1 15 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.757 0.559 18865 795 1 15 . 1 1 29 29 ILE H H 29 7.863 7.863 7.934 -0.071 18865 796 1 16 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.274 0.228 18865 797 1 16 . 1 1 2 2 ARG H H 2 8.772 8.772 8.420 0.352 18865 798 1 16 . 1 1 3 3 LYS HA H 3 4.376 4.376 3.951 0.425 18865 799 1 16 . 1 1 3 3 LYS H H 3 8.381 8.381 8.450 -0.069 18865 800 1 16 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.539 1.322 18865 801 1 16 . 1 1 4 4 HIS H H 4 8.521 8.521 7.170 1.351 18865 802 1 16 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.572 -0.070 18865 803 1 16 . 1 1 5 5 LEU H H 5 8.459 8.459 8.039 0.420 18865 804 1 16 . 1 1 6 6 GLY H H 6 8.393 8.393 8.621 -0.228 18865 805 1 16 . 1 1 7 7 GLY H H 7 8.631 8.631 7.627 1.004 18865 806 1 16 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.316 0.202 18865 807 1 16 . 1 1 8 8 CYS H H 8 8.819 8.819 8.533 0.286 18865 808 1 16 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.371 0.069 18865 809 1 16 . 1 1 9 9 TRP H H 9 8.130 8.130 8.408 -0.278 18865 810 1 16 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.509 0.508 18865 811 1 16 . 1 1 10 10 LEU H H 10 7.752 7.752 8.211 -0.459 18865 812 1 16 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.992 -0.022 18865 813 1 16 . 1 1 11 11 ALA H H 11 7.864 7.864 7.475 0.389 18865 814 1 16 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.666 -0.024 18865 815 1 16 . 1 1 12 12 ILE H H 12 7.995 7.995 7.379 0.616 18865 816 1 16 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.413 0.210 18865 817 1 16 . 1 1 13 13 VAL H H 13 8.256 8.256 6.704 1.552 18865 818 1 16 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.965 0.115 18865 819 1 16 . 1 1 14 14 CYS H H 14 8.302 8.302 8.490 -0.188 18865 820 1 16 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.853 1.914 18865 821 1 16 . 1 1 15 15 VAL H H 15 8.239 8.239 7.349 0.890 18865 822 1 16 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.905 0.268 18865 823 1 16 . 1 1 16 16 LEU H H 16 8.379 8.379 7.126 1.253 18865 824 1 16 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.094 0.063 18865 825 1 16 . 1 1 17 17 LEU H H 17 8.568 8.568 7.890 0.678 18865 826 1 16 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.621 -0.260 18865 827 1 16 . 1 1 18 18 PHE H H 18 8.632 8.632 8.024 0.608 18865 828 1 16 . 1 1 19 19 SER HA H 19 4.298 4.298 4.141 0.157 18865 829 1 16 . 1 1 19 19 SER H H 19 8.427 8.427 7.862 0.565 18865 830 1 16 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.119 0.288 18865 831 1 16 . 1 1 20 20 GLN H H 20 7.974 7.974 7.748 0.226 18865 832 1 16 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.081 0.216 18865 833 1 16 . 1 1 21 21 LEU H H 21 8.125 8.125 7.433 0.692 18865 834 1 16 . 1 1 22 22 SER HA H 22 4.340 4.340 4.285 0.055 18865 835 1 16 . 1 1 22 22 SER H H 22 8.130 8.130 8.401 -0.271 18865 836 1 16 . 1 1 23 23 SER HA H 23 4.533 4.533 4.491 0.042 18865 837 1 16 . 1 1 23 23 SER H H 23 7.952 7.952 8.019 -0.067 18865 838 1 16 . 1 1 24 24 VAL HA H 24 4.079 4.079 3.955 0.124 18865 839 1 16 . 1 1 24 24 VAL H H 24 7.849 7.849 7.539 0.310 18865 840 1 16 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.521 -0.176 18865 841 1 16 . 1 1 25 25 LYS H H 25 8.115 8.115 8.017 0.098 18865 842 1 16 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.552 -0.145 18865 843 1 16 . 1 1 26 26 ALA H H 26 8.052 8.052 7.441 0.611 18865 844 1 16 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.161 0.277 18865 845 1 16 . 1 1 27 27 ARG H H 27 8.053 8.053 8.771 -0.718 18865 846 1 16 . 1 1 28 28 GLY H H 28 8.255 8.255 7.987 0.268 18865 847 1 16 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.783 0.533 18865 848 1 16 . 1 1 29 29 ILE H H 29 7.863 7.863 8.120 -0.257 18865 849 1 17 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.037 0.465 18865 850 1 17 . 1 1 2 2 ARG H H 2 8.772 8.772 8.474 0.298 18865 851 1 17 . 1 1 3 3 LYS HA H 3 4.376 4.376 3.933 0.443 18865 852 1 17 . 1 1 3 3 LYS H H 3 8.381 8.381 8.247 0.134 18865 853 1 17 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.110 1.751 18865 854 1 17 . 1 1 4 4 HIS H H 4 8.521 8.521 8.085 0.436 18865 855 1 17 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.740 -0.238 18865 856 1 17 . 1 1 5 5 LEU H H 5 8.459 8.459 7.740 0.719 18865 857 1 17 . 1 1 6 6 GLY H H 6 8.393 8.393 8.416 -0.023 18865 858 1 17 . 1 1 7 7 GLY H H 7 8.631 8.631 7.895 0.736 18865 859 1 17 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.255 0.263 18865 860 1 17 . 1 1 8 8 CYS H H 8 8.819 8.819 8.504 0.315 18865 861 1 17 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.352 0.088 18865 862 1 17 . 1 1 9 9 TRP H H 9 8.130 8.130 8.164 -0.034 18865 863 1 17 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.471 0.546 18865 864 1 17 . 1 1 10 10 LEU H H 10 7.752 7.752 8.389 -0.637 18865 865 1 17 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.915 0.055 18865 866 1 17 . 1 1 11 11 ALA H H 11 7.864 7.864 7.567 0.297 18865 867 1 17 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.565 0.077 18865 868 1 17 . 1 1 12 12 ILE H H 12 7.995 7.995 7.310 0.685 18865 869 1 17 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.334 0.289 18865 870 1 17 . 1 1 13 13 VAL H H 13 8.256 8.256 6.697 1.559 18865 871 1 17 . 1 1 14 14 CYS HA H 14 4.080 4.080 4.004 0.076 18865 872 1 17 . 1 1 14 14 CYS H H 14 8.302 8.302 8.476 -0.174 18865 873 1 17 . 1 1 15 15 VAL HA H 15 3.767 3.767 3.411 0.356 18865 874 1 17 . 1 1 15 15 VAL H H 15 8.239 8.239 7.448 0.791 18865 875 1 17 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.893 0.280 18865 876 1 17 . 1 1 16 16 LEU H H 16 8.379 8.379 7.253 1.126 18865 877 1 17 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.079 0.078 18865 878 1 17 . 1 1 17 17 LEU H H 17 8.568 8.568 8.155 0.413 18865 879 1 17 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.649 -0.288 18865 880 1 17 . 1 1 18 18 PHE H H 18 8.632 8.632 7.968 0.664 18865 881 1 17 . 1 1 19 19 SER HA H 19 4.298 4.298 4.176 0.122 18865 882 1 17 . 1 1 19 19 SER H H 19 8.427 8.427 7.244 1.183 18865 883 1 17 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.151 0.256 18865 884 1 17 . 1 1 20 20 GLN H H 20 7.974 7.974 8.139 -0.165 18865 885 1 17 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.067 0.230 18865 886 1 17 . 1 1 21 21 LEU H H 21 8.125 8.125 7.888 0.237 18865 887 1 17 . 1 1 22 22 SER HA H 22 4.340 4.340 4.473 -0.133 18865 888 1 17 . 1 1 22 22 SER H H 22 8.130 8.130 8.096 0.034 18865 889 1 17 . 1 1 23 23 SER HA H 23 4.533 4.533 4.510 0.023 18865 890 1 17 . 1 1 23 23 SER H H 23 7.952 7.952 7.826 0.126 18865 891 1 17 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.009 0.070 18865 892 1 17 . 1 1 24 24 VAL H H 24 7.849 7.849 7.711 0.138 18865 893 1 17 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.427 -0.082 18865 894 1 17 . 1 1 25 25 LYS H H 25 8.115 8.115 8.270 -0.155 18865 895 1 17 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.559 -0.152 18865 896 1 17 . 1 1 26 26 ALA H H 26 8.052 8.052 7.088 0.964 18865 897 1 17 . 1 1 27 27 ARG HA H 27 4.438 4.438 3.999 0.439 18865 898 1 17 . 1 1 27 27 ARG H H 27 8.053 8.053 8.783 -0.730 18865 899 1 17 . 1 1 28 28 GLY H H 28 8.255 8.255 8.191 0.064 18865 900 1 17 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.820 0.496 18865 901 1 17 . 1 1 29 29 ILE H H 29 7.863 7.863 7.821 0.042 18865 902 1 18 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.151 0.351 18865 903 1 18 . 1 1 2 2 ARG H H 2 8.772 8.772 8.400 0.372 18865 904 1 18 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.035 0.341 18865 905 1 18 . 1 1 3 3 LYS H H 3 8.381 8.381 8.327 0.054 18865 906 1 18 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.911 0.950 18865 907 1 18 . 1 1 4 4 HIS H H 4 8.521 8.521 7.265 1.256 18865 908 1 18 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.765 -0.263 18865 909 1 18 . 1 1 5 5 LEU H H 5 8.459 8.459 7.824 0.635 18865 910 1 18 . 1 1 6 6 GLY H H 6 8.393 8.393 8.293 0.100 18865 911 1 18 . 1 1 7 7 GLY H H 7 8.631 8.631 8.011 0.620 18865 912 1 18 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.267 0.251 18865 913 1 18 . 1 1 8 8 CYS H H 8 8.819 8.819 8.544 0.275 18865 914 1 18 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.369 0.071 18865 915 1 18 . 1 1 9 9 TRP H H 9 8.130 8.130 8.448 -0.318 18865 916 1 18 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.385 0.632 18865 917 1 18 . 1 1 10 10 LEU H H 10 7.752 7.752 8.006 -0.254 18865 918 1 18 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.976 -0.006 18865 919 1 18 . 1 1 11 11 ALA H H 11 7.864 7.864 7.445 0.419 18865 920 1 18 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.684 -0.042 18865 921 1 18 . 1 1 12 12 ILE H H 12 7.995 7.995 7.422 0.573 18865 922 1 18 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.421 0.202 18865 923 1 18 . 1 1 13 13 VAL H H 13 8.256 8.256 6.809 1.447 18865 924 1 18 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.906 0.174 18865 925 1 18 . 1 1 14 14 CYS H H 14 8.302 8.302 8.493 -0.191 18865 926 1 18 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.789 1.978 18865 927 1 18 . 1 1 15 15 VAL H H 15 8.239 8.239 7.048 1.191 18865 928 1 18 . 1 1 16 16 LEU HA H 16 4.173 4.173 4.012 0.161 18865 929 1 18 . 1 1 16 16 LEU H H 16 8.379 8.379 7.070 1.309 18865 930 1 18 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.157 -0.000 18865 931 1 18 . 1 1 17 17 LEU H H 17 8.568 8.568 7.797 0.771 18865 932 1 18 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.743 -0.382 18865 933 1 18 . 1 1 18 18 PHE H H 18 8.632 8.632 7.746 0.886 18865 934 1 18 . 1 1 19 19 SER HA H 19 4.298 4.298 4.174 0.124 18865 935 1 18 . 1 1 19 19 SER H H 19 8.427 8.427 8.252 0.175 18865 936 1 18 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.092 0.315 18865 937 1 18 . 1 1 20 20 GLN H H 20 7.974 7.974 7.655 0.319 18865 938 1 18 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.088 0.209 18865 939 1 18 . 1 1 21 21 LEU H H 21 8.125 8.125 7.843 0.282 18865 940 1 18 . 1 1 22 22 SER HA H 22 4.340 4.340 4.318 0.022 18865 941 1 18 . 1 1 22 22 SER H H 22 8.130 8.130 8.217 -0.087 18865 942 1 18 . 1 1 23 23 SER HA H 23 4.533 4.533 4.507 0.026 18865 943 1 18 . 1 1 23 23 SER H H 23 7.952 7.952 7.749 0.203 18865 944 1 18 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.049 0.030 18865 945 1 18 . 1 1 24 24 VAL H H 24 7.849 7.849 7.559 0.290 18865 946 1 18 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.488 -0.143 18865 947 1 18 . 1 1 25 25 LYS H H 25 8.115 8.115 8.144 -0.029 18865 948 1 18 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.507 -0.100 18865 949 1 18 . 1 1 26 26 ALA H H 26 8.052 8.052 7.632 0.420 18865 950 1 18 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.157 0.281 18865 951 1 18 . 1 1 27 27 ARG H H 27 8.053 8.053 8.760 -0.707 18865 952 1 18 . 1 1 28 28 GLY H H 28 8.255 8.255 7.953 0.302 18865 953 1 18 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.830 0.486 18865 954 1 18 . 1 1 29 29 ILE H H 29 7.863 7.863 7.841 0.022 18865 955 1 19 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.369 0.133 18865 956 1 19 . 1 1 2 2 ARG H H 2 8.772 8.772 8.427 0.345 18865 957 1 19 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.013 0.363 18865 958 1 19 . 1 1 3 3 LYS H H 3 8.381 8.381 8.254 0.127 18865 959 1 19 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.558 1.303 18865 960 1 19 . 1 1 4 4 HIS H H 4 8.521 8.521 7.426 1.095 18865 961 1 19 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.802 -0.300 18865 962 1 19 . 1 1 5 5 LEU H H 5 8.459 8.459 7.812 0.647 18865 963 1 19 . 1 1 6 6 GLY H H 6 8.393 8.393 8.329 0.064 18865 964 1 19 . 1 1 7 7 GLY H H 7 8.631 8.631 8.037 0.594 18865 965 1 19 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.200 0.318 18865 966 1 19 . 1 1 8 8 CYS H H 8 8.819 8.819 8.569 0.251 18865 967 1 19 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.396 0.044 18865 968 1 19 . 1 1 9 9 TRP H H 9 8.130 8.130 8.240 -0.110 18865 969 1 19 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.517 0.500 18865 970 1 19 . 1 1 10 10 LEU H H 10 7.752 7.752 8.368 -0.616 18865 971 1 19 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.962 0.008 18865 972 1 19 . 1 1 11 11 ALA H H 11 7.864 7.864 7.460 0.404 18865 973 1 19 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.655 -0.013 18865 974 1 19 . 1 1 12 12 ILE H H 12 7.995 7.995 7.554 0.441 18865 975 1 19 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.441 0.182 18865 976 1 19 . 1 1 13 13 VAL H H 13 8.256 8.256 6.864 1.392 18865 977 1 19 . 1 1 14 14 CYS HA H 14 4.080 4.080 4.016 0.064 18865 978 1 19 . 1 1 14 14 CYS H H 14 8.302 8.302 8.342 -0.040 18865 979 1 19 . 1 1 15 15 VAL HA H 15 3.767 3.767 2.783 0.984 18865 980 1 19 . 1 1 15 15 VAL H H 15 8.239 8.239 7.119 1.120 18865 981 1 19 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.902 0.271 18865 982 1 19 . 1 1 16 16 LEU H H 16 8.379 8.379 7.277 1.102 18865 983 1 19 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.126 0.031 18865 984 1 19 . 1 1 17 17 LEU H H 17 8.568 8.568 7.945 0.623 18865 985 1 19 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.738 -0.377 18865 986 1 19 . 1 1 18 18 PHE H H 18 8.632 8.632 7.923 0.709 18865 987 1 19 . 1 1 19 19 SER HA H 19 4.298 4.298 4.118 0.180 18865 988 1 19 . 1 1 19 19 SER H H 19 8.427 8.427 7.588 0.839 18865 989 1 19 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.067 0.340 18865 990 1 19 . 1 1 20 20 GLN H H 20 7.974 7.974 7.763 0.211 18865 991 1 19 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.045 0.252 18865 992 1 19 . 1 1 21 21 LEU H H 21 8.125 8.125 7.471 0.654 18865 993 1 19 . 1 1 22 22 SER HA H 22 4.340 4.340 4.394 -0.054 18865 994 1 19 . 1 1 22 22 SER H H 22 8.130 8.130 8.163 -0.033 18865 995 1 19 . 1 1 23 23 SER HA H 23 4.533 4.533 4.498 0.035 18865 996 1 19 . 1 1 23 23 SER H H 23 7.952 7.952 7.781 0.171 18865 997 1 19 . 1 1 24 24 VAL HA H 24 4.079 4.079 3.942 0.137 18865 998 1 19 . 1 1 24 24 VAL H H 24 7.849 7.849 7.621 0.228 18865 999 1 19 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.306 0.039 18865 1000 1 19 . 1 1 25 25 LYS H H 25 8.115 8.115 8.398 -0.283 18865 1001 1 19 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.566 -0.159 18865 1002 1 19 . 1 1 26 26 ALA H H 26 8.052 8.052 7.766 0.286 18865 1003 1 19 . 1 1 27 27 ARG HA H 27 4.438 4.438 3.988 0.450 18865 1004 1 19 . 1 1 27 27 ARG H H 27 8.053 8.053 8.684 -0.631 18865 1005 1 19 . 1 1 28 28 GLY H H 28 8.255 8.255 7.875 0.380 18865 1006 1 19 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.761 0.555 18865 1007 1 19 . 1 1 29 29 ILE H H 29 7.863 7.863 8.228 -0.365 18865 1008 1 20 . 1 1 2 2 ARG HA H 2 4.502 4.502 4.256 0.246 18865 1009 1 20 . 1 1 2 2 ARG H H 2 8.772 8.772 8.362 0.410 18865 1010 1 20 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.008 0.368 18865 1011 1 20 . 1 1 3 3 LYS H H 3 8.381 8.381 8.385 -0.004 18865 1012 1 20 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.108 1.753 18865 1013 1 20 . 1 1 4 4 HIS H H 4 8.521 8.521 7.804 0.717 18865 1014 1 20 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.444 0.058 18865 1015 1 20 . 1 1 5 5 LEU H H 5 8.459 8.459 7.458 1.001 18865 1016 1 20 . 1 1 6 6 GLY H H 6 8.393 8.393 8.319 0.074 18865 1017 1 20 . 1 1 7 7 GLY H H 7 8.631 8.631 7.618 1.013 18865 1018 1 20 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.273 0.245 18865 1019 1 20 . 1 1 8 8 CYS H H 8 8.819 8.819 8.490 0.329 18865 1020 1 20 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.352 0.088 18865 1021 1 20 . 1 1 9 9 TRP H H 9 8.130 8.130 8.357 -0.227 18865 1022 1 20 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.400 0.617 18865 1023 1 20 . 1 1 10 10 LEU H H 10 7.752 7.752 7.966 -0.214 18865 1024 1 20 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.954 0.016 18865 1025 1 20 . 1 1 11 11 ALA H H 11 7.864 7.864 7.543 0.321 18865 1026 1 20 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.543 0.099 18865 1027 1 20 . 1 1 12 12 ILE H H 12 7.995 7.995 7.289 0.706 18865 1028 1 20 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.410 0.213 18865 1029 1 20 . 1 1 13 13 VAL H H 13 8.256 8.256 6.841 1.415 18865 1030 1 20 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.954 0.126 18865 1031 1 20 . 1 1 14 14 CYS H H 14 8.302 8.302 8.358 -0.056 18865 1032 1 20 . 1 1 15 15 VAL HA H 15 3.767 3.767 1.902 1.865 18865 1033 1 20 . 1 1 15 15 VAL H H 15 8.239 8.239 7.643 0.596 18865 1034 1 20 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.977 0.196 18865 1035 1 20 . 1 1 16 16 LEU H H 16 8.379 8.379 7.172 1.207 18865 1036 1 20 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.080 0.077 18865 1037 1 20 . 1 1 17 17 LEU H H 17 8.568 8.568 7.612 0.956 18865 1038 1 20 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.617 -0.256 18865 1039 1 20 . 1 1 18 18 PHE H H 18 8.632 8.632 8.112 0.520 18865 1040 1 20 . 1 1 19 19 SER HA H 19 4.298 4.298 4.187 0.111 18865 1041 1 20 . 1 1 19 19 SER H H 19 8.427 8.427 8.041 0.386 18865 1042 1 20 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.136 0.271 18865 1043 1 20 . 1 1 20 20 GLN H H 20 7.974 7.974 7.471 0.503 18865 1044 1 20 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.157 0.140 18865 1045 1 20 . 1 1 21 21 LEU H H 21 8.125 8.125 7.426 0.699 18865 1046 1 20 . 1 1 22 22 SER HA H 22 4.340 4.340 4.271 0.069 18865 1047 1 20 . 1 1 22 22 SER H H 22 8.130 8.130 8.317 -0.187 18865 1048 1 20 . 1 1 23 23 SER HA H 23 4.533 4.533 4.571 -0.038 18865 1049 1 20 . 1 1 23 23 SER H H 23 7.952 7.952 7.981 -0.029 18865 1050 1 20 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.112 -0.033 18865 1051 1 20 . 1 1 24 24 VAL H H 24 7.849 7.849 7.385 0.464 18865 1052 1 20 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.474 -0.129 18865 1053 1 20 . 1 1 25 25 LYS H H 25 8.115 8.115 8.015 0.100 18865 1054 1 20 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.550 -0.143 18865 1055 1 20 . 1 1 26 26 ALA H H 26 8.052 8.052 7.659 0.393 18865 1056 1 20 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.055 0.383 18865 1057 1 20 . 1 1 27 27 ARG H H 27 8.053 8.053 8.728 -0.675 18865 1058 1 20 . 1 1 28 28 GLY H H 28 8.255 8.255 7.737 0.518 18865 1059 1 20 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.801 0.515 18865 1060 1 20 . 1 1 29 29 ILE H H 29 7.863 7.863 8.053 -0.190 18865 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 18865 2 1 1 "Average Difference" HA 31 0.480 -0.235 0.425 18865 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18865 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18865 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18865 6 1 1 "Average Difference" HN 28 0.637 -0.380 0.521 18865 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18865 8 1 2 "Average Difference" HA 31 0.395 -0.175 0.360 18865 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18865 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18865 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18865 12 1 2 "Average Difference" HN 28 0.659 -0.369 0.556 18865 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18865 14 1 3 "Average Difference" HA 31 0.440 -0.198 0.400 18865 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18865 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18865 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18865 18 1 3 "Average Difference" HN 28 0.624 -0.379 0.505 18865 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18865 20 1 4 "Average Difference" HA 31 0.471 -0.228 0.419 18865 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18865 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18865 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18865 24 1 4 "Average Difference" HN 28 0.635 -0.399 0.503 18865 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18865 26 1 5 "Average Difference" HA 31 0.419 -0.210 0.368 18865 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18865 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18865 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18865 30 1 5 "Average Difference" HN 28 0.663 -0.383 0.551 18865 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18865 32 1 6 "Average Difference" HA 31 0.565 -0.248 0.516 18865 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18865 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18865 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18865 36 1 6 "Average Difference" HN 28 0.598 -0.350 0.493 18865 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18865 38 1 7 "Average Difference" HA 31 0.467 -0.222 0.417 18865 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18865 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18865 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18865 42 1 7 "Average Difference" HN 28 0.544 -0.336 0.435 18865 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18865 44 1 8 "Average Difference" HA 31 0.471 -0.230 0.418 18865 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18865 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18865 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18865 48 1 8 "Average Difference" HN 28 0.686 -0.400 0.568 18865 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18865 50 1 9 "Average Difference" HA 31 0.551 -0.256 0.497 18865 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18865 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18865 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18865 54 1 9 "Average Difference" HN 28 0.676 -0.351 0.588 18865 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18865 56 1 10 "Average Difference" HA 31 0.388 -0.205 0.335 18865 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18865 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18865 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18865 60 1 10 "Average Difference" HN 28 0.652 -0.385 0.535 18865 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18865 62 1 11 "Average Difference" HA 31 0.450 -0.228 0.395 18865 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18865 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18865 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18865 66 1 11 "Average Difference" HN 28 0.624 -0.376 0.507 18865 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18865 68 1 12 "Average Difference" HA 31 0.323 -0.172 0.278 18865 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18865 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18865 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18865 72 1 12 "Average Difference" HN 28 0.614 -0.393 0.480 18865 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18865 74 1 13 "Average Difference" HA 31 0.305 -0.140 0.275 18865 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18865 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18865 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18865 78 1 13 "Average Difference" HN 28 0.605 -0.360 0.495 18865 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18865 80 1 14 "Average Difference" HA 31 0.399 -0.165 0.369 18865 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18865 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18865 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18865 84 1 14 "Average Difference" HN 28 0.649 -0.386 0.532 18865 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18865 86 1 15 "Average Difference" HA 31 0.465 -0.228 0.413 18865 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18865 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18865 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18865 90 1 15 "Average Difference" HN 28 0.619 -0.364 0.510 18865 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18865 92 1 16 "Average Difference" HA 31 0.491 -0.240 0.435 18865 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18865 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18865 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18865 96 1 16 "Average Difference" HN 28 0.649 -0.344 0.560 18865 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18865 98 1 17 "Average Difference" HA 31 0.445 -0.226 0.390 18865 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18865 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18865 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18865 102 1 17 "Average Difference" HN 28 0.609 -0.323 0.526 18865 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18865 104 1 18 "Average Difference" HA 31 0.479 -0.223 0.431 18865 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18865 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18865 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18865 108 1 18 "Average Difference" HN 28 0.627 -0.369 0.516 18865 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18865 110 1 19 "Average Difference" HA 31 0.398 -0.213 0.341 18865 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18865 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18865 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18865 114 1 19 "Average Difference" HN 28 0.607 -0.343 0.510 18865 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18865 116 1 20 "Average Difference" HA 31 0.528 -0.259 0.467 18865 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18865 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18865 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18865 120 1 20 "Average Difference" HN 28 0.615 -0.384 0.489 18865 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 18865 _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 ARG HA H 2 4.502 4.502 4.309 0.193 18865 2 1 . 1 1 2 2 ARG H H 2 8.772 8.772 8.362 0.410 18865 3 1 . 1 1 3 3 LYS HA H 3 4.376 4.376 4.058 0.318 18865 4 1 . 1 1 3 3 LYS H H 3 8.381 8.381 8.315 0.066 18865 5 1 . 1 1 4 4 HIS HA H 4 4.861 4.861 3.714 1.147 18865 6 1 . 1 1 4 4 HIS H H 4 8.521 8.521 7.443 1.078 18865 7 1 . 1 1 5 5 LEU HA H 5 4.502 4.502 4.686 -0.184 18865 8 1 . 1 1 5 5 LEU H H 5 8.459 8.459 7.726 0.733 18865 9 1 . 1 1 6 6 GLY H H 6 8.393 8.393 8.367 0.026 18865 10 1 . 1 1 7 7 GLY H H 7 8.631 8.631 7.901 0.730 18865 11 1 . 1 1 8 8 CYS HA H 8 4.518 4.518 4.246 0.272 18865 12 1 . 1 1 8 8 CYS H H 8 8.819 8.819 8.532 0.287 18865 13 1 . 1 1 9 9 TRP HA H 9 4.440 4.440 4.372 0.068 18865 14 1 . 1 1 9 9 TRP H H 9 8.130 8.130 8.319 -0.189 18865 15 1 . 1 1 10 10 LEU HA H 10 4.017 4.017 3.468 0.549 18865 16 1 . 1 1 10 10 LEU H H 10 7.752 7.752 8.114 -0.362 18865 17 1 . 1 1 11 11 ALA HA H 11 3.970 3.970 3.969 0.001 18865 18 1 . 1 1 11 11 ALA H H 11 7.864 7.864 7.542 0.321 18865 19 1 . 1 1 12 12 ILE HA H 12 3.642 3.642 3.646 -0.004 18865 20 1 . 1 1 12 12 ILE H H 12 7.995 7.995 7.435 0.560 18865 21 1 . 1 1 13 13 VAL HA H 13 3.623 3.623 3.439 0.184 18865 22 1 . 1 1 13 13 VAL H H 13 8.256 8.256 6.838 1.419 18865 23 1 . 1 1 14 14 CYS HA H 14 4.080 4.080 3.975 0.105 18865 24 1 . 1 1 14 14 CYS H H 14 8.302 8.302 8.408 -0.106 18865 25 1 . 1 1 15 15 VAL HA H 15 3.767 3.767 2.253 1.514 18865 26 1 . 1 1 15 15 VAL H H 15 8.239 8.239 7.260 0.979 18865 27 1 . 1 1 16 16 LEU HA H 16 4.173 4.173 3.958 0.215 18865 28 1 . 1 1 16 16 LEU H H 16 8.379 8.379 7.247 1.132 18865 29 1 . 1 1 17 17 LEU HA H 17 4.157 4.157 4.177 -0.020 18865 30 1 . 1 1 17 17 LEU H H 17 8.568 8.568 7.742 0.826 18865 31 1 . 1 1 18 18 PHE HA H 18 4.361 4.361 4.674 -0.313 18865 32 1 . 1 1 18 18 PHE H H 18 8.632 8.632 8.056 0.576 18865 33 1 . 1 1 19 19 SER HA H 19 4.298 4.298 4.170 0.128 18865 34 1 . 1 1 19 19 SER H H 19 8.427 8.427 7.750 0.677 18865 35 1 . 1 1 20 20 GLN HA H 20 4.407 4.407 4.078 0.329 18865 36 1 . 1 1 20 20 GLN H H 20 7.974 7.974 7.779 0.195 18865 37 1 . 1 1 21 21 LEU HA H 21 4.297 4.297 4.091 0.205 18865 38 1 . 1 1 21 21 LEU H H 21 8.125 8.125 7.649 0.476 18865 39 1 . 1 1 22 22 SER HA H 22 4.340 4.340 4.349 -0.009 18865 40 1 . 1 1 22 22 SER H H 22 8.130 8.130 8.095 0.035 18865 41 1 . 1 1 23 23 SER HA H 23 4.533 4.533 4.491 0.042 18865 42 1 . 1 1 23 23 SER H H 23 7.952 7.952 7.822 0.129 18865 43 1 . 1 1 24 24 VAL HA H 24 4.079 4.079 4.018 0.062 18865 44 1 . 1 1 24 24 VAL H H 24 7.849 7.849 7.602 0.247 18865 45 1 . 1 1 25 25 LYS HA H 25 4.345 4.345 4.484 -0.139 18865 46 1 . 1 1 25 25 LYS H H 25 8.115 8.115 8.099 0.016 18865 47 1 . 1 1 26 26 ALA HA H 26 4.407 4.407 4.549 -0.142 18865 48 1 . 1 1 26 26 ALA H H 26 8.052 8.052 7.463 0.589 18865 49 1 . 1 1 27 27 ARG HA H 27 4.438 4.438 4.090 0.348 18865 50 1 . 1 1 27 27 ARG H H 27 8.053 8.053 8.742 -0.689 18865 51 1 . 1 1 28 28 GLY H H 28 8.255 8.255 7.970 0.285 18865 52 1 . 1 1 29 29 ILE HA H 29 4.316 4.316 3.796 0.520 18865 53 1 . 1 1 29 29 ILE H H 29 7.863 7.863 7.986 -0.123 18865 stop_ save_