data_17889 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17889 _Entry.PDB_ID 2LID 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 17889 _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 HIS N N 2 121.309 121.309 120.170 1.139 17889 2 1 1 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.689 -0.036 17889 3 1 1 . 1 1 2 2 HIS H H 2 8.959 8.959 8.039 0.920 17889 4 1 1 . 1 1 3 3 LYS N N 3 123.963 123.963 121.463 2.500 17889 5 1 1 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.201 -0.006 17889 6 1 1 . 1 1 3 3 LYS H H 3 8.533 8.533 8.563 -0.030 17889 7 1 1 . 1 1 4 4 HIS N N 4 120.657 120.657 120.000 0.657 17889 8 1 1 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.372 0.234 17889 9 1 1 . 1 1 4 4 HIS H H 4 8.690 8.690 8.550 0.140 17889 10 1 1 . 1 1 5 5 SER N N 5 117.522 117.522 116.380 1.142 17889 11 1 1 . 1 1 5 5 SER HA H 5 4.347 4.347 4.047 0.300 17889 12 1 1 . 1 1 5 5 SER H H 5 8.375 8.375 7.780 0.595 17889 13 1 1 . 1 1 6 6 ASP N N 6 122.035 122.035 117.152 4.883 17889 14 1 1 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.586 -0.017 17889 15 1 1 . 1 1 6 6 ASP H H 6 8.405 8.405 7.480 0.925 17889 16 1 1 . 1 1 7 7 GLU N N 7 120.246 120.246 122.895 -2.649 17889 17 1 1 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.272 0.001 17889 18 1 1 . 1 1 7 7 GLU H H 7 8.237 8.237 8.858 -0.621 17889 19 1 1 . 1 1 8 8 SER N N 8 117.720 117.720 115.977 1.743 17889 20 1 1 . 1 1 8 8 SER HA H 8 4.398 4.398 4.606 -0.208 17889 21 1 1 . 1 1 8 8 SER H H 8 8.193 8.193 8.381 -0.188 17889 22 1 1 . 1 1 9 9 THR N N 9 115.050 115.050 113.393 1.657 17889 23 1 1 . 1 1 9 9 THR HA H 9 4.226 4.226 4.046 0.180 17889 24 1 1 . 1 1 9 9 THR H H 9 8.051 8.051 8.309 -0.258 17889 25 1 1 . 1 1 10 10 SER N N 10 116.587 116.587 111.786 4.801 17889 26 1 1 . 1 1 10 10 SER HA H 10 4.341 4.341 4.383 -0.042 17889 27 1 1 . 1 1 10 10 SER H H 10 8.276 8.276 7.736 0.540 17889 28 1 1 . 1 1 14 14 GLU N N 14 121.529 121.529 121.809 -0.280 17889 29 1 1 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.224 -0.034 17889 30 1 1 . 1 1 14 14 GLU H H 14 8.117 8.117 8.145 -0.028 17889 31 1 1 . 1 1 15 15 SER N N 15 116.705 116.705 117.652 -0.947 17889 32 1 1 . 1 1 15 15 SER HA H 15 4.331 4.331 4.378 -0.047 17889 33 1 1 . 1 1 15 15 SER H H 15 8.114 8.114 8.329 -0.215 17889 34 1 1 . 1 1 16 16 ILE N N 16 122.303 122.303 123.070 -0.767 17889 35 1 1 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.208 -0.147 17889 36 1 1 . 1 1 16 16 ILE H H 16 7.981 7.981 8.654 -0.673 17889 37 1 1 . 1 1 17 17 ALA N N 17 127.099 127.099 123.288 3.811 17889 38 1 1 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.582 -0.399 17889 39 1 1 . 1 1 17 17 ALA H H 17 8.161 8.161 7.458 0.703 17889 40 1 1 . 1 1 18 18 ASP N N 18 118.740 118.740 119.007 -0.267 17889 41 1 1 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.924 -0.409 17889 42 1 1 . 1 1 18 18 ASP H H 18 8.134 8.134 8.441 -0.307 17889 43 1 1 . 1 1 19 19 ASN N N 19 118.913 118.913 113.739 5.174 17889 44 1 1 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.763 -0.198 17889 45 1 1 . 1 1 19 19 ASN H H 19 8.189 8.189 8.225 -0.036 17889 46 1 1 . 1 1 20 20 ASN N N 20 118.703 118.703 117.660 1.043 17889 47 1 1 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.880 -0.287 17889 48 1 1 . 1 1 20 20 ASN H H 20 8.290 8.290 8.426 -0.136 17889 49 1 1 . 1 1 21 21 ASP N N 21 119.859 119.859 118.902 0.957 17889 50 1 1 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.800 -0.252 17889 51 1 1 . 1 1 21 21 ASP H H 21 8.206 8.206 8.773 -0.567 17889 52 1 1 . 1 1 22 22 ASP N N 22 120.431 120.431 117.178 3.253 17889 53 1 1 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.615 -0.065 17889 54 1 1 . 1 1 22 22 ASP H H 22 8.294 8.294 8.632 -0.338 17889 55 1 1 . 1 1 23 23 SER N N 23 115.864 115.864 113.218 2.646 17889 56 1 1 . 1 1 23 23 SER HA H 23 4.213 4.213 4.527 -0.314 17889 57 1 1 . 1 1 23 23 SER H H 23 8.186 8.186 7.568 0.618 17889 58 1 1 . 1 1 24 24 TYR N N 24 121.678 121.678 121.184 0.494 17889 59 1 1 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.542 -0.272 17889 60 1 1 . 1 1 24 24 TYR H H 24 7.955 7.955 8.374 -0.419 17889 61 1 1 . 1 1 25 25 PHE N N 25 119.567 119.567 118.043 1.524 17889 62 1 1 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.228 0.138 17889 63 1 1 . 1 1 25 25 PHE H H 25 7.776 7.776 6.890 0.886 17889 64 1 1 . 1 1 26 26 GLN N N 26 120.553 120.553 119.972 0.581 17889 65 1 1 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.203 0.929 17889 66 1 1 . 1 1 26 26 GLN H H 26 7.928 7.928 7.537 0.391 17889 67 1 1 . 1 1 27 27 ARG N N 27 121.580 121.580 117.062 4.518 17889 68 1 1 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.000 0.183 17889 69 1 1 . 1 1 27 27 ARG H H 27 8.027 8.027 8.322 -0.295 17889 70 1 1 . 1 1 28 28 LYS N N 28 123.672 123.672 115.662 8.010 17889 71 1 1 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.070 0.401 17889 72 1 1 . 1 1 28 28 LYS H H 28 8.158 8.158 8.143 0.015 17889 73 1 1 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.344 -0.046 17889 74 1 1 . 1 1 30 30 LYS N N 30 121.864 121.864 118.723 3.141 17889 75 1 1 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.446 -0.251 17889 76 1 1 . 1 1 30 30 LYS H H 30 8.307 8.307 7.812 0.495 17889 77 1 1 . 1 1 31 31 LEU N N 31 124.171 124.171 118.972 5.199 17889 78 1 1 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.558 -0.188 17889 79 1 1 . 1 1 31 31 LEU H H 31 8.276 8.276 8.088 0.188 17889 80 1 1 . 1 1 32 32 THR N N 32 119.714 119.714 111.573 8.141 17889 81 1 1 . 1 1 32 32 THR HA H 32 4.378 4.378 4.422 -0.044 17889 82 1 1 . 1 1 32 32 THR H H 32 7.952 7.952 8.071 -0.119 17889 83 1 1 . 1 1 33 33 GLU N N 33 121.732 121.732 128.820 -7.088 17889 84 1 1 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.319 -0.149 17889 85 1 1 . 1 1 33 33 GLU H H 33 7.865 7.865 8.895 -1.030 17889 86 1 1 . 1 1 34 34 ALA N N 34 127.078 127.078 124.323 2.755 17889 87 1 1 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.226 0.274 17889 88 1 1 . 1 1 34 34 ALA H H 34 8.215 8.215 8.164 0.051 17889 89 1 2 . 1 1 2 2 HIS N N 2 121.309 121.309 122.402 -1.093 17889 90 1 2 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.551 0.102 17889 91 1 2 . 1 1 2 2 HIS H H 2 8.959 8.959 8.282 0.677 17889 92 1 2 . 1 1 3 3 LYS N N 3 123.963 123.963 124.230 -0.267 17889 93 1 2 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.160 0.035 17889 94 1 2 . 1 1 3 3 LYS H H 3 8.533 8.533 8.749 -0.216 17889 95 1 2 . 1 1 4 4 HIS N N 4 120.657 120.657 115.430 5.227 17889 96 1 2 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.232 0.374 17889 97 1 2 . 1 1 4 4 HIS H H 4 8.690 8.690 8.171 0.519 17889 98 1 2 . 1 1 5 5 SER N N 5 117.522 117.522 115.658 1.864 17889 99 1 2 . 1 1 5 5 SER HA H 5 4.347 4.347 4.118 0.229 17889 100 1 2 . 1 1 5 5 SER H H 5 8.375 8.375 8.732 -0.357 17889 101 1 2 . 1 1 6 6 ASP N N 6 122.035 122.035 122.680 -0.645 17889 102 1 2 . 1 1 6 6 ASP HA H 6 4.569 4.569 5.098 -0.529 17889 103 1 2 . 1 1 6 6 ASP H H 6 8.405 8.405 8.006 0.399 17889 104 1 2 . 1 1 7 7 GLU N N 7 120.246 120.246 123.476 -3.230 17889 105 1 2 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.520 -0.247 17889 106 1 2 . 1 1 7 7 GLU H H 7 8.237 8.237 8.373 -0.136 17889 107 1 2 . 1 1 8 8 SER N N 8 117.720 117.720 116.863 0.857 17889 108 1 2 . 1 1 8 8 SER HA H 8 4.398 4.398 4.219 0.179 17889 109 1 2 . 1 1 8 8 SER H H 8 8.193 8.193 8.793 -0.600 17889 110 1 2 . 1 1 9 9 THR N N 9 115.050 115.050 114.237 0.813 17889 111 1 2 . 1 1 9 9 THR HA H 9 4.226 4.226 4.096 0.130 17889 112 1 2 . 1 1 9 9 THR H H 9 8.051 8.051 8.141 -0.090 17889 113 1 2 . 1 1 10 10 SER N N 10 116.587 116.587 111.856 4.731 17889 114 1 2 . 1 1 10 10 SER HA H 10 4.341 4.341 4.711 -0.370 17889 115 1 2 . 1 1 10 10 SER H H 10 8.276 8.276 7.802 0.474 17889 116 1 2 . 1 1 14 14 GLU N N 14 121.529 121.529 120.583 0.946 17889 117 1 2 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.057 0.133 17889 118 1 2 . 1 1 14 14 GLU H H 14 8.117 8.117 8.662 -0.545 17889 119 1 2 . 1 1 15 15 SER N N 15 116.705 116.705 112.250 4.455 17889 120 1 2 . 1 1 15 15 SER HA H 15 4.331 4.331 4.415 -0.084 17889 121 1 2 . 1 1 15 15 SER H H 15 8.114 8.114 7.368 0.746 17889 122 1 2 . 1 1 16 16 ILE N N 16 122.303 122.303 122.498 -0.195 17889 123 1 2 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.819 0.242 17889 124 1 2 . 1 1 16 16 ILE H H 16 7.981 7.981 8.412 -0.431 17889 125 1 2 . 1 1 17 17 ALA N N 17 127.099 127.099 120.954 6.145 17889 126 1 2 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.003 0.180 17889 127 1 2 . 1 1 17 17 ALA H H 17 8.161 8.161 7.279 0.882 17889 128 1 2 . 1 1 18 18 ASP N N 18 118.740 118.740 116.863 1.877 17889 129 1 2 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.243 0.272 17889 130 1 2 . 1 1 18 18 ASP H H 18 8.134 8.134 8.983 -0.849 17889 131 1 2 . 1 1 19 19 ASN N N 19 118.913 118.913 111.916 6.997 17889 132 1 2 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.723 -0.158 17889 133 1 2 . 1 1 19 19 ASN H H 19 8.189 8.189 8.103 0.086 17889 134 1 2 . 1 1 20 20 ASN N N 20 118.703 118.703 116.770 1.933 17889 135 1 2 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.830 -0.237 17889 136 1 2 . 1 1 20 20 ASN H H 20 8.290 8.290 8.181 0.109 17889 137 1 2 . 1 1 21 21 ASP N N 21 119.859 119.859 120.797 -0.938 17889 138 1 2 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.697 -0.149 17889 139 1 2 . 1 1 21 21 ASP H H 21 8.206 8.206 8.809 -0.603 17889 140 1 2 . 1 1 22 22 ASP N N 22 120.431 120.431 115.643 4.788 17889 141 1 2 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.576 -0.026 17889 142 1 2 . 1 1 22 22 ASP H H 22 8.294 8.294 8.753 -0.459 17889 143 1 2 . 1 1 23 23 SER N N 23 115.864 115.864 114.931 0.933 17889 144 1 2 . 1 1 23 23 SER HA H 23 4.213 4.213 4.614 -0.401 17889 145 1 2 . 1 1 23 23 SER H H 23 8.186 8.186 8.131 0.055 17889 146 1 2 . 1 1 24 24 TYR N N 24 121.678 121.678 120.029 1.649 17889 147 1 2 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.836 -0.566 17889 148 1 2 . 1 1 24 24 TYR H H 24 7.955 7.955 8.130 -0.175 17889 149 1 2 . 1 1 25 25 PHE N N 25 119.567 119.567 120.285 -0.718 17889 150 1 2 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.095 0.271 17889 151 1 2 . 1 1 25 25 PHE H H 25 7.776 7.776 7.759 0.017 17889 152 1 2 . 1 1 26 26 GLN N N 26 120.553 120.553 115.432 5.121 17889 153 1 2 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.258 -0.126 17889 154 1 2 . 1 1 26 26 GLN H H 26 7.928 7.928 8.192 -0.264 17889 155 1 2 . 1 1 27 27 ARG N N 27 121.580 121.580 115.159 6.421 17889 156 1 2 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.164 0.019 17889 157 1 2 . 1 1 27 27 ARG H H 27 8.027 8.027 8.206 -0.179 17889 158 1 2 . 1 1 28 28 LYS N N 28 123.672 123.672 115.834 7.838 17889 159 1 2 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.058 0.413 17889 160 1 2 . 1 1 28 28 LYS H H 28 8.158 8.158 8.094 0.064 17889 161 1 2 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.269 0.029 17889 162 1 2 . 1 1 30 30 LYS N N 30 121.864 121.864 119.496 2.368 17889 163 1 2 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.290 -0.095 17889 164 1 2 . 1 1 30 30 LYS H H 30 8.307 8.307 7.827 0.480 17889 165 1 2 . 1 1 31 31 LEU N N 31 124.171 124.171 120.181 3.990 17889 166 1 2 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.450 -0.080 17889 167 1 2 . 1 1 31 31 LEU H H 31 8.276 8.276 8.365 -0.089 17889 168 1 2 . 1 1 32 32 THR N N 32 119.714 119.714 113.318 6.396 17889 169 1 2 . 1 1 32 32 THR HA H 32 4.378 4.378 4.217 0.161 17889 170 1 2 . 1 1 32 32 THR H H 32 7.952 7.952 8.041 -0.089 17889 171 1 2 . 1 1 33 33 GLU N N 33 121.732 121.732 121.802 -0.070 17889 172 1 2 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.113 0.057 17889 173 1 2 . 1 1 33 33 GLU H H 33 7.865 7.865 8.653 -0.788 17889 174 1 2 . 1 1 34 34 ALA N N 34 127.078 127.078 127.310 -0.232 17889 175 1 2 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.563 -0.063 17889 176 1 2 . 1 1 34 34 ALA H H 34 8.215 8.215 8.278 -0.063 17889 177 1 3 . 1 1 2 2 HIS N N 2 121.309 121.309 119.918 1.391 17889 178 1 3 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.794 -0.141 17889 179 1 3 . 1 1 2 2 HIS H H 2 8.959 8.959 8.198 0.761 17889 180 1 3 . 1 1 3 3 LYS N N 3 123.963 123.963 121.804 2.159 17889 181 1 3 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.521 -0.326 17889 182 1 3 . 1 1 3 3 LYS H H 3 8.533 8.533 8.542 -0.009 17889 183 1 3 . 1 1 4 4 HIS N N 4 120.657 120.657 118.252 2.405 17889 184 1 3 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.718 -0.112 17889 185 1 3 . 1 1 4 4 HIS H H 4 8.690 8.690 8.738 -0.048 17889 186 1 3 . 1 1 5 5 SER N N 5 117.522 117.522 114.253 3.269 17889 187 1 3 . 1 1 5 5 SER HA H 5 4.347 4.347 4.403 -0.056 17889 188 1 3 . 1 1 5 5 SER H H 5 8.375 8.375 8.117 0.258 17889 189 1 3 . 1 1 6 6 ASP N N 6 122.035 122.035 122.209 -0.174 17889 190 1 3 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.476 0.093 17889 191 1 3 . 1 1 6 6 ASP H H 6 8.405 8.405 8.571 -0.166 17889 192 1 3 . 1 1 7 7 GLU N N 7 120.246 120.246 123.541 -3.295 17889 193 1 3 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.441 -0.168 17889 194 1 3 . 1 1 7 7 GLU H H 7 8.237 8.237 8.740 -0.503 17889 195 1 3 . 1 1 8 8 SER N N 8 117.720 117.720 115.348 2.372 17889 196 1 3 . 1 1 8 8 SER HA H 8 4.398 4.398 4.649 -0.251 17889 197 1 3 . 1 1 8 8 SER H H 8 8.193 8.193 8.592 -0.399 17889 198 1 3 . 1 1 9 9 THR N N 9 115.050 115.050 113.760 1.290 17889 199 1 3 . 1 1 9 9 THR HA H 9 4.226 4.226 4.095 0.131 17889 200 1 3 . 1 1 9 9 THR H H 9 8.051 8.051 8.179 -0.128 17889 201 1 3 . 1 1 10 10 SER N N 10 116.587 116.587 111.667 4.920 17889 202 1 3 . 1 1 10 10 SER HA H 10 4.341 4.341 4.462 -0.121 17889 203 1 3 . 1 1 10 10 SER H H 10 8.276 8.276 7.647 0.629 17889 204 1 3 . 1 1 14 14 GLU N N 14 121.529 121.529 121.221 0.308 17889 205 1 3 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.371 -0.181 17889 206 1 3 . 1 1 14 14 GLU H H 14 8.117 8.117 8.983 -0.866 17889 207 1 3 . 1 1 15 15 SER N N 15 116.705 116.705 114.384 2.321 17889 208 1 3 . 1 1 15 15 SER HA H 15 4.331 4.331 4.574 -0.243 17889 209 1 3 . 1 1 15 15 SER H H 15 8.114 8.114 8.113 0.001 17889 210 1 3 . 1 1 16 16 ILE N N 16 122.303 122.303 123.475 -1.172 17889 211 1 3 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.891 0.170 17889 212 1 3 . 1 1 16 16 ILE H H 16 7.981 7.981 8.557 -0.576 17889 213 1 3 . 1 1 17 17 ALA N N 17 127.099 127.099 122.052 5.047 17889 214 1 3 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.184 -0.001 17889 215 1 3 . 1 1 17 17 ALA H H 17 8.161 8.161 7.762 0.399 17889 216 1 3 . 1 1 18 18 ASP N N 18 118.740 118.740 117.469 1.271 17889 217 1 3 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.368 0.147 17889 218 1 3 . 1 1 18 18 ASP H H 18 8.134 8.134 8.934 -0.800 17889 219 1 3 . 1 1 19 19 ASN N N 19 118.913 118.913 111.932 6.981 17889 220 1 3 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.724 -0.159 17889 221 1 3 . 1 1 19 19 ASN H H 19 8.189 8.189 8.197 -0.008 17889 222 1 3 . 1 1 20 20 ASN N N 20 118.703 118.703 117.520 1.183 17889 223 1 3 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.934 -0.341 17889 224 1 3 . 1 1 20 20 ASN H H 20 8.290 8.290 8.299 -0.009 17889 225 1 3 . 1 1 21 21 ASP N N 21 119.859 119.859 121.360 -1.501 17889 226 1 3 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.898 -0.350 17889 227 1 3 . 1 1 21 21 ASP H H 21 8.206 8.206 8.874 -0.668 17889 228 1 3 . 1 1 22 22 ASP N N 22 120.431 120.431 116.307 4.124 17889 229 1 3 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.668 -0.118 17889 230 1 3 . 1 1 22 22 ASP H H 22 8.294 8.294 8.631 -0.337 17889 231 1 3 . 1 1 23 23 SER N N 23 115.864 115.864 111.199 4.665 17889 232 1 3 . 1 1 23 23 SER HA H 23 4.213 4.213 4.751 -0.538 17889 233 1 3 . 1 1 23 23 SER H H 23 8.186 8.186 8.082 0.104 17889 234 1 3 . 1 1 24 24 TYR N N 24 121.678 121.678 122.509 -0.831 17889 235 1 3 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.657 -0.387 17889 236 1 3 . 1 1 24 24 TYR H H 24 7.955 7.955 8.036 -0.081 17889 237 1 3 . 1 1 25 25 PHE N N 25 119.567 119.567 119.540 0.027 17889 238 1 3 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.076 0.290 17889 239 1 3 . 1 1 25 25 PHE H H 25 7.776 7.776 7.533 0.243 17889 240 1 3 . 1 1 26 26 GLN N N 26 120.553 120.553 117.002 3.551 17889 241 1 3 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.832 0.300 17889 242 1 3 . 1 1 26 26 GLN H H 26 7.928 7.928 7.757 0.171 17889 243 1 3 . 1 1 27 27 ARG N N 27 121.580 121.580 119.154 2.426 17889 244 1 3 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.144 0.039 17889 245 1 3 . 1 1 27 27 ARG H H 27 8.027 8.027 8.118 -0.091 17889 246 1 3 . 1 1 28 28 LYS N N 28 123.672 123.672 123.983 -0.311 17889 247 1 3 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.776 -0.305 17889 248 1 3 . 1 1 28 28 LYS H H 28 8.158 8.158 8.254 -0.096 17889 249 1 3 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.480 -0.182 17889 250 1 3 . 1 1 30 30 LYS N N 30 121.864 121.864 119.727 2.137 17889 251 1 3 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.382 -0.187 17889 252 1 3 . 1 1 30 30 LYS H H 30 8.307 8.307 7.924 0.383 17889 253 1 3 . 1 1 31 31 LEU N N 31 124.171 124.171 120.062 4.109 17889 254 1 3 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.365 0.005 17889 255 1 3 . 1 1 31 31 LEU H H 31 8.276 8.276 8.317 -0.041 17889 256 1 3 . 1 1 32 32 THR N N 32 119.714 119.714 112.366 7.348 17889 257 1 3 . 1 1 32 32 THR HA H 32 4.378 4.378 4.348 0.030 17889 258 1 3 . 1 1 32 32 THR H H 32 7.952 7.952 7.715 0.237 17889 259 1 3 . 1 1 33 33 GLU N N 33 121.732 121.732 123.208 -1.476 17889 260 1 3 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.413 -0.243 17889 261 1 3 . 1 1 33 33 GLU H H 33 7.865 7.865 8.680 -0.815 17889 262 1 3 . 1 1 34 34 ALA N N 34 127.078 127.078 125.910 1.168 17889 263 1 3 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.811 -0.311 17889 264 1 3 . 1 1 34 34 ALA H H 34 8.215 8.215 8.173 0.042 17889 265 1 4 . 1 1 2 2 HIS N N 2 121.309 121.309 118.443 2.866 17889 266 1 4 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.649 0.004 17889 267 1 4 . 1 1 2 2 HIS H H 2 8.959 8.959 8.237 0.722 17889 268 1 4 . 1 1 3 3 LYS N N 3 123.963 123.963 119.288 4.675 17889 269 1 4 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.248 -0.053 17889 270 1 4 . 1 1 3 3 LYS H H 3 8.533 8.533 7.303 1.230 17889 271 1 4 . 1 1 4 4 HIS N N 4 120.657 120.657 120.886 -0.229 17889 272 1 4 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.608 -0.002 17889 273 1 4 . 1 1 4 4 HIS H H 4 8.690 8.690 8.890 -0.200 17889 274 1 4 . 1 1 5 5 SER N N 5 117.522 117.522 115.294 2.228 17889 275 1 4 . 1 1 5 5 SER HA H 5 4.347 4.347 4.365 -0.018 17889 276 1 4 . 1 1 5 5 SER H H 5 8.375 8.375 8.227 0.148 17889 277 1 4 . 1 1 6 6 ASP N N 6 122.035 122.035 121.465 0.570 17889 278 1 4 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.467 0.102 17889 279 1 4 . 1 1 6 6 ASP H H 6 8.405 8.405 8.261 0.144 17889 280 1 4 . 1 1 7 7 GLU N N 7 120.246 120.246 123.601 -3.355 17889 281 1 4 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.505 -0.232 17889 282 1 4 . 1 1 7 7 GLU H H 7 8.237 8.237 8.125 0.112 17889 283 1 4 . 1 1 8 8 SER N N 8 117.720 117.720 116.413 1.307 17889 284 1 4 . 1 1 8 8 SER HA H 8 4.398 4.398 4.111 0.287 17889 285 1 4 . 1 1 8 8 SER H H 8 8.193 8.193 8.665 -0.472 17889 286 1 4 . 1 1 9 9 THR N N 9 115.050 115.050 112.085 2.965 17889 287 1 4 . 1 1 9 9 THR HA H 9 4.226 4.226 4.019 0.207 17889 288 1 4 . 1 1 9 9 THR H H 9 8.051 8.051 8.187 -0.136 17889 289 1 4 . 1 1 10 10 SER N N 10 116.587 116.587 112.012 4.575 17889 290 1 4 . 1 1 10 10 SER HA H 10 4.341 4.341 4.674 -0.333 17889 291 1 4 . 1 1 10 10 SER H H 10 8.276 8.276 7.881 0.395 17889 292 1 4 . 1 1 14 14 GLU N N 14 121.529 121.529 119.744 1.785 17889 293 1 4 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.134 0.056 17889 294 1 4 . 1 1 14 14 GLU H H 14 8.117 8.117 8.951 -0.834 17889 295 1 4 . 1 1 15 15 SER N N 15 116.705 116.705 112.091 4.614 17889 296 1 4 . 1 1 15 15 SER HA H 15 4.331 4.331 4.302 0.029 17889 297 1 4 . 1 1 15 15 SER H H 15 8.114 8.114 7.979 0.135 17889 298 1 4 . 1 1 16 16 ILE N N 16 122.303 122.303 126.014 -3.711 17889 299 1 4 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.084 -0.023 17889 300 1 4 . 1 1 16 16 ILE H H 16 7.981 7.981 8.359 -0.378 17889 301 1 4 . 1 1 17 17 ALA N N 17 127.099 127.099 122.290 4.809 17889 302 1 4 . 1 1 17 17 ALA HA H 17 4.183 4.183 3.884 0.299 17889 303 1 4 . 1 1 17 17 ALA H H 17 8.161 8.161 7.648 0.513 17889 304 1 4 . 1 1 18 18 ASP N N 18 118.740 118.740 119.935 -1.195 17889 305 1 4 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.172 0.343 17889 306 1 4 . 1 1 18 18 ASP H H 18 8.134 8.134 9.031 -0.897 17889 307 1 4 . 1 1 19 19 ASN N N 19 118.913 118.913 113.087 5.826 17889 308 1 4 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.819 -0.254 17889 309 1 4 . 1 1 19 19 ASN H H 19 8.189 8.189 8.631 -0.442 17889 310 1 4 . 1 1 20 20 ASN N N 20 118.703 118.703 116.528 2.175 17889 311 1 4 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.786 -0.193 17889 312 1 4 . 1 1 20 20 ASN H H 20 8.290 8.290 7.775 0.515 17889 313 1 4 . 1 1 21 21 ASP N N 21 119.859 119.859 121.055 -1.196 17889 314 1 4 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.425 0.123 17889 315 1 4 . 1 1 21 21 ASP H H 21 8.206 8.206 8.730 -0.524 17889 316 1 4 . 1 1 22 22 ASP N N 22 120.431 120.431 116.575 3.856 17889 317 1 4 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.716 -0.166 17889 318 1 4 . 1 1 22 22 ASP H H 22 8.294 8.294 8.561 -0.267 17889 319 1 4 . 1 1 23 23 SER N N 23 115.864 115.864 113.404 2.460 17889 320 1 4 . 1 1 23 23 SER HA H 23 4.213 4.213 4.568 -0.355 17889 321 1 4 . 1 1 23 23 SER H H 23 8.186 8.186 8.176 0.010 17889 322 1 4 . 1 1 24 24 TYR N N 24 121.678 121.678 122.200 -0.522 17889 323 1 4 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.541 -0.271 17889 324 1 4 . 1 1 24 24 TYR H H 24 7.955 7.955 8.657 -0.702 17889 325 1 4 . 1 1 25 25 PHE N N 25 119.567 119.567 118.133 1.434 17889 326 1 4 . 1 1 25 25 PHE HA H 25 4.366 4.366 3.726 0.640 17889 327 1 4 . 1 1 25 25 PHE H H 25 7.776 7.776 7.513 0.263 17889 328 1 4 . 1 1 26 26 GLN N N 26 120.553 120.553 116.840 3.713 17889 329 1 4 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.157 -0.025 17889 330 1 4 . 1 1 26 26 GLN H H 26 7.928 7.928 7.986 -0.058 17889 331 1 4 . 1 1 27 27 ARG N N 27 121.580 121.580 116.989 4.591 17889 332 1 4 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.162 0.021 17889 333 1 4 . 1 1 27 27 ARG H H 27 8.027 8.027 8.068 -0.041 17889 334 1 4 . 1 1 28 28 LYS N N 28 123.672 123.672 125.019 -1.347 17889 335 1 4 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.778 -0.307 17889 336 1 4 . 1 1 28 28 LYS H H 28 8.158 8.158 7.887 0.271 17889 337 1 4 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.266 0.032 17889 338 1 4 . 1 1 30 30 LYS N N 30 121.864 121.864 119.062 2.802 17889 339 1 4 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.185 0.010 17889 340 1 4 . 1 1 30 30 LYS H H 30 8.307 8.307 8.417 -0.110 17889 341 1 4 . 1 1 31 31 LEU N N 31 124.171 124.171 124.489 -0.318 17889 342 1 4 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.528 -0.158 17889 343 1 4 . 1 1 31 31 LEU H H 31 8.276 8.276 8.195 0.081 17889 344 1 4 . 1 1 32 32 THR N N 32 119.714 119.714 114.459 5.255 17889 345 1 4 . 1 1 32 32 THR HA H 32 4.378 4.378 4.250 0.128 17889 346 1 4 . 1 1 32 32 THR H H 32 7.952 7.952 7.632 0.320 17889 347 1 4 . 1 1 33 33 GLU N N 33 121.732 121.732 122.591 -0.859 17889 348 1 4 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.366 -0.196 17889 349 1 4 . 1 1 33 33 GLU H H 33 7.865 7.865 8.617 -0.752 17889 350 1 4 . 1 1 34 34 ALA N N 34 127.078 127.078 128.555 -1.477 17889 351 1 4 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.757 -0.257 17889 352 1 4 . 1 1 34 34 ALA H H 34 8.215 8.215 8.262 -0.047 17889 353 1 5 . 1 1 2 2 HIS N N 2 121.309 121.309 118.983 2.326 17889 354 1 5 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.820 -0.167 17889 355 1 5 . 1 1 2 2 HIS H H 2 8.959 8.959 8.095 0.864 17889 356 1 5 . 1 1 3 3 LYS N N 3 123.963 123.963 121.717 2.246 17889 357 1 5 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.280 -0.085 17889 358 1 5 . 1 1 3 3 LYS H H 3 8.533 8.533 7.290 1.243 17889 359 1 5 . 1 1 4 4 HIS N N 4 120.657 120.657 121.591 -0.934 17889 360 1 5 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.582 0.024 17889 361 1 5 . 1 1 4 4 HIS H H 4 8.690 8.690 8.634 0.056 17889 362 1 5 . 1 1 5 5 SER N N 5 117.522 117.522 119.123 -1.601 17889 363 1 5 . 1 1 5 5 SER HA H 5 4.347 4.347 3.893 0.454 17889 364 1 5 . 1 1 5 5 SER H H 5 8.375 8.375 8.503 -0.128 17889 365 1 5 . 1 1 6 6 ASP N N 6 122.035 122.035 117.935 4.100 17889 366 1 5 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.158 0.411 17889 367 1 5 . 1 1 6 6 ASP H H 6 8.405 8.405 8.274 0.131 17889 368 1 5 . 1 1 7 7 GLU N N 7 120.246 120.246 115.548 4.698 17889 369 1 5 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.394 -0.121 17889 370 1 5 . 1 1 7 7 GLU H H 7 8.237 8.237 8.319 -0.082 17889 371 1 5 . 1 1 8 8 SER N N 8 117.720 117.720 116.146 1.574 17889 372 1 5 . 1 1 8 8 SER HA H 8 4.398 4.398 4.681 -0.283 17889 373 1 5 . 1 1 8 8 SER H H 8 8.193 8.193 8.060 0.133 17889 374 1 5 . 1 1 9 9 THR N N 9 115.050 115.050 114.955 0.095 17889 375 1 5 . 1 1 9 9 THR HA H 9 4.226 4.226 3.886 0.340 17889 376 1 5 . 1 1 9 9 THR H H 9 8.051 8.051 7.899 0.152 17889 377 1 5 . 1 1 10 10 SER N N 10 116.587 116.587 117.231 -0.644 17889 378 1 5 . 1 1 10 10 SER HA H 10 4.341 4.341 3.983 0.358 17889 379 1 5 . 1 1 10 10 SER H H 10 8.276 8.276 8.489 -0.213 17889 380 1 5 . 1 1 14 14 GLU N N 14 121.529 121.529 121.584 -0.055 17889 381 1 5 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.336 -0.146 17889 382 1 5 . 1 1 14 14 GLU H H 14 8.117 8.117 8.771 -0.654 17889 383 1 5 . 1 1 15 15 SER N N 15 116.705 116.705 115.588 1.117 17889 384 1 5 . 1 1 15 15 SER HA H 15 4.331 4.331 4.603 -0.272 17889 385 1 5 . 1 1 15 15 SER H H 15 8.114 8.114 7.991 0.123 17889 386 1 5 . 1 1 16 16 ILE N N 16 122.303 122.303 122.553 -0.250 17889 387 1 5 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.904 0.157 17889 388 1 5 . 1 1 16 16 ILE H H 16 7.981 7.981 8.456 -0.475 17889 389 1 5 . 1 1 17 17 ALA N N 17 127.099 127.099 122.322 4.777 17889 390 1 5 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.031 0.152 17889 391 1 5 . 1 1 17 17 ALA H H 17 8.161 8.161 7.430 0.731 17889 392 1 5 . 1 1 18 18 ASP N N 18 118.740 118.740 117.079 1.661 17889 393 1 5 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.147 0.368 17889 394 1 5 . 1 1 18 18 ASP H H 18 8.134 8.134 8.928 -0.794 17889 395 1 5 . 1 1 19 19 ASN N N 19 118.913 118.913 111.535 7.378 17889 396 1 5 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.699 -0.134 17889 397 1 5 . 1 1 19 19 ASN H H 19 8.189 8.189 8.103 0.086 17889 398 1 5 . 1 1 20 20 ASN N N 20 118.703 118.703 119.404 -0.701 17889 399 1 5 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.763 -0.170 17889 400 1 5 . 1 1 20 20 ASN H H 20 8.290 8.290 8.034 0.256 17889 401 1 5 . 1 1 21 21 ASP N N 21 119.859 119.859 120.607 -0.748 17889 402 1 5 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.651 -0.103 17889 403 1 5 . 1 1 21 21 ASP H H 21 8.206 8.206 8.818 -0.612 17889 404 1 5 . 1 1 22 22 ASP N N 22 120.431 120.431 118.771 1.660 17889 405 1 5 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.770 -0.220 17889 406 1 5 . 1 1 22 22 ASP H H 22 8.294 8.294 8.559 -0.265 17889 407 1 5 . 1 1 23 23 SER N N 23 115.864 115.864 110.763 5.101 17889 408 1 5 . 1 1 23 23 SER HA H 23 4.213 4.213 4.734 -0.521 17889 409 1 5 . 1 1 23 23 SER H H 23 8.186 8.186 8.193 -0.007 17889 410 1 5 . 1 1 24 24 TYR N N 24 121.678 121.678 121.947 -0.269 17889 411 1 5 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.724 -0.454 17889 412 1 5 . 1 1 24 24 TYR H H 24 7.955 7.955 7.909 0.046 17889 413 1 5 . 1 1 25 25 PHE N N 25 119.567 119.567 120.168 -0.601 17889 414 1 5 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.339 0.027 17889 415 1 5 . 1 1 25 25 PHE H H 25 7.776 7.776 7.895 -0.119 17889 416 1 5 . 1 1 26 26 GLN N N 26 120.553 120.553 115.731 4.822 17889 417 1 5 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.906 0.226 17889 418 1 5 . 1 1 26 26 GLN H H 26 7.928 7.928 7.448 0.480 17889 419 1 5 . 1 1 27 27 ARG N N 27 121.580 121.580 117.349 4.231 17889 420 1 5 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.081 0.102 17889 421 1 5 . 1 1 27 27 ARG H H 27 8.027 8.027 8.139 -0.112 17889 422 1 5 . 1 1 28 28 LYS N N 28 123.672 123.672 121.962 1.710 17889 423 1 5 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.764 -0.293 17889 424 1 5 . 1 1 28 28 LYS H H 28 8.158 8.158 7.697 0.461 17889 425 1 5 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.260 0.038 17889 426 1 5 . 1 1 30 30 LYS N N 30 121.864 121.864 117.188 4.676 17889 427 1 5 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.339 -0.144 17889 428 1 5 . 1 1 30 30 LYS H H 30 8.307 8.307 8.276 0.031 17889 429 1 5 . 1 1 31 31 LEU N N 31 124.171 124.171 120.003 4.168 17889 430 1 5 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.023 0.347 17889 431 1 5 . 1 1 31 31 LEU H H 31 8.276 8.276 7.731 0.545 17889 432 1 5 . 1 1 32 32 THR N N 32 119.714 119.714 111.732 7.982 17889 433 1 5 . 1 1 32 32 THR HA H 32 4.378 4.378 3.916 0.462 17889 434 1 5 . 1 1 32 32 THR H H 32 7.952 7.952 8.093 -0.141 17889 435 1 5 . 1 1 33 33 GLU N N 33 121.732 121.732 117.096 4.636 17889 436 1 5 . 1 1 33 33 GLU HA H 33 4.170 4.170 3.997 0.173 17889 437 1 5 . 1 1 33 33 GLU H H 33 7.865 7.865 8.466 -0.601 17889 438 1 5 . 1 1 34 34 ALA N N 34 127.078 127.078 122.419 4.659 17889 439 1 5 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.651 -0.151 17889 440 1 5 . 1 1 34 34 ALA H H 34 8.215 8.215 8.172 0.043 17889 441 1 6 . 1 1 2 2 HIS N N 2 121.309 121.309 119.078 2.231 17889 442 1 6 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.751 -0.098 17889 443 1 6 . 1 1 2 2 HIS H H 2 8.959 8.959 7.789 1.170 17889 444 1 6 . 1 1 3 3 LYS N N 3 123.963 123.963 123.749 0.214 17889 445 1 6 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.063 0.132 17889 446 1 6 . 1 1 3 3 LYS H H 3 8.533 8.533 8.669 -0.136 17889 447 1 6 . 1 1 4 4 HIS N N 4 120.657 120.657 122.126 -1.469 17889 448 1 6 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.676 -0.070 17889 449 1 6 . 1 1 4 4 HIS H H 4 8.690 8.690 8.527 0.163 17889 450 1 6 . 1 1 5 5 SER N N 5 117.522 117.522 117.564 -0.042 17889 451 1 6 . 1 1 5 5 SER HA H 5 4.347 4.347 4.524 -0.177 17889 452 1 6 . 1 1 5 5 SER H H 5 8.375 8.375 8.797 -0.422 17889 453 1 6 . 1 1 6 6 ASP N N 6 122.035 122.035 121.649 0.386 17889 454 1 6 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.468 0.101 17889 455 1 6 . 1 1 6 6 ASP H H 6 8.405 8.405 8.647 -0.242 17889 456 1 6 . 1 1 7 7 GLU N N 7 120.246 120.246 121.584 -1.338 17889 457 1 6 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.474 -0.201 17889 458 1 6 . 1 1 7 7 GLU H H 7 8.237 8.237 8.565 -0.328 17889 459 1 6 . 1 1 8 8 SER N N 8 117.720 117.720 115.684 2.036 17889 460 1 6 . 1 1 8 8 SER HA H 8 4.398 4.398 4.635 -0.237 17889 461 1 6 . 1 1 8 8 SER H H 8 8.193 8.193 8.408 -0.215 17889 462 1 6 . 1 1 9 9 THR N N 9 115.050 115.050 114.836 0.214 17889 463 1 6 . 1 1 9 9 THR HA H 9 4.226 4.226 4.187 0.039 17889 464 1 6 . 1 1 9 9 THR H H 9 8.051 8.051 8.118 -0.067 17889 465 1 6 . 1 1 10 10 SER N N 10 116.587 116.587 116.854 -0.267 17889 466 1 6 . 1 1 10 10 SER HA H 10 4.341 4.341 3.930 0.411 17889 467 1 6 . 1 1 10 10 SER H H 10 8.276 8.276 8.905 -0.629 17889 468 1 6 . 1 1 14 14 GLU N N 14 121.529 121.529 118.938 2.591 17889 469 1 6 . 1 1 14 14 GLU HA H 14 4.190 4.190 3.962 0.228 17889 470 1 6 . 1 1 14 14 GLU H H 14 8.117 8.117 8.547 -0.430 17889 471 1 6 . 1 1 15 15 SER N N 15 116.705 116.705 111.822 4.883 17889 472 1 6 . 1 1 15 15 SER HA H 15 4.331 4.331 4.180 0.151 17889 473 1 6 . 1 1 15 15 SER H H 15 8.114 8.114 7.274 0.840 17889 474 1 6 . 1 1 16 16 ILE N N 16 122.303 122.303 121.449 0.854 17889 475 1 6 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.191 -0.130 17889 476 1 6 . 1 1 16 16 ILE H H 16 7.981 7.981 8.222 -0.241 17889 477 1 6 . 1 1 17 17 ALA N N 17 127.099 127.099 122.991 4.108 17889 478 1 6 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.414 -0.231 17889 479 1 6 . 1 1 17 17 ALA H H 17 8.161 8.161 7.432 0.729 17889 480 1 6 . 1 1 18 18 ASP N N 18 118.740 118.740 117.071 1.669 17889 481 1 6 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.930 -0.415 17889 482 1 6 . 1 1 18 18 ASP H H 18 8.134 8.134 8.344 -0.210 17889 483 1 6 . 1 1 19 19 ASN N N 19 118.913 118.913 115.170 3.743 17889 484 1 6 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.774 -0.209 17889 485 1 6 . 1 1 19 19 ASN H H 19 8.189 8.189 8.236 -0.047 17889 486 1 6 . 1 1 20 20 ASN N N 20 118.703 118.703 118.489 0.214 17889 487 1 6 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.887 -0.294 17889 488 1 6 . 1 1 20 20 ASN H H 20 8.290 8.290 8.501 -0.211 17889 489 1 6 . 1 1 21 21 ASP N N 21 119.859 119.859 118.327 1.532 17889 490 1 6 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.358 0.190 17889 491 1 6 . 1 1 21 21 ASP H H 21 8.206 8.206 8.086 0.120 17889 492 1 6 . 1 1 22 22 ASP N N 22 120.431 120.431 117.684 2.747 17889 493 1 6 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.526 0.024 17889 494 1 6 . 1 1 22 22 ASP H H 22 8.294 8.294 8.431 -0.137 17889 495 1 6 . 1 1 23 23 SER N N 23 115.864 115.864 113.687 2.177 17889 496 1 6 . 1 1 23 23 SER HA H 23 4.213 4.213 4.597 -0.384 17889 497 1 6 . 1 1 23 23 SER H H 23 8.186 8.186 7.778 0.408 17889 498 1 6 . 1 1 24 24 TYR N N 24 121.678 121.678 117.347 4.331 17889 499 1 6 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.855 -0.585 17889 500 1 6 . 1 1 24 24 TYR H H 24 7.955 7.955 7.167 0.788 17889 501 1 6 . 1 1 25 25 PHE N N 25 119.567 119.567 119.048 0.519 17889 502 1 6 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.558 -0.192 17889 503 1 6 . 1 1 25 25 PHE H H 25 7.776 7.776 7.399 0.377 17889 504 1 6 . 1 1 26 26 GLN N N 26 120.553 120.553 116.030 4.523 17889 505 1 6 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.462 -0.330 17889 506 1 6 . 1 1 26 26 GLN H H 26 7.928 7.928 7.951 -0.023 17889 507 1 6 . 1 1 27 27 ARG N N 27 121.580 121.580 119.168 2.412 17889 508 1 6 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.107 0.076 17889 509 1 6 . 1 1 27 27 ARG H H 27 8.027 8.027 8.263 -0.236 17889 510 1 6 . 1 1 28 28 LYS N N 28 123.672 123.672 124.841 -1.169 17889 511 1 6 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.782 -0.311 17889 512 1 6 . 1 1 28 28 LYS H H 28 8.158 8.158 8.186 -0.028 17889 513 1 6 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.316 -0.018 17889 514 1 6 . 1 1 30 30 LYS N N 30 121.864 121.864 119.365 2.499 17889 515 1 6 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.277 -0.082 17889 516 1 6 . 1 1 30 30 LYS H H 30 8.307 8.307 8.407 -0.100 17889 517 1 6 . 1 1 31 31 LEU N N 31 124.171 124.171 122.347 1.824 17889 518 1 6 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.566 -0.196 17889 519 1 6 . 1 1 31 31 LEU H H 31 8.276 8.276 8.336 -0.060 17889 520 1 6 . 1 1 32 32 THR N N 32 119.714 119.714 110.444 9.270 17889 521 1 6 . 1 1 32 32 THR HA H 32 4.378 4.378 4.404 -0.026 17889 522 1 6 . 1 1 32 32 THR H H 32 7.952 7.952 7.578 0.374 17889 523 1 6 . 1 1 33 33 GLU N N 33 121.732 121.732 122.215 -0.483 17889 524 1 6 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.195 -0.025 17889 525 1 6 . 1 1 33 33 GLU H H 33 7.865 7.865 8.201 -0.336 17889 526 1 6 . 1 1 34 34 ALA N N 34 127.078 127.078 123.756 3.322 17889 527 1 6 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.187 0.313 17889 528 1 6 . 1 1 34 34 ALA H H 34 8.215 8.215 8.305 -0.090 17889 529 1 7 . 1 1 2 2 HIS N N 2 121.309 121.309 119.793 1.516 17889 530 1 7 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.770 -0.117 17889 531 1 7 . 1 1 2 2 HIS H H 2 8.959 8.959 8.590 0.369 17889 532 1 7 . 1 1 3 3 LYS N N 3 123.963 123.963 119.155 4.808 17889 533 1 7 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.400 -0.205 17889 534 1 7 . 1 1 3 3 LYS H H 3 8.533 8.533 8.486 0.047 17889 535 1 7 . 1 1 4 4 HIS N N 4 120.657 120.657 120.215 0.442 17889 536 1 7 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.466 0.140 17889 537 1 7 . 1 1 4 4 HIS H H 4 8.690 8.690 8.054 0.636 17889 538 1 7 . 1 1 5 5 SER N N 5 117.522 117.522 117.876 -0.354 17889 539 1 7 . 1 1 5 5 SER HA H 5 4.347 4.347 4.545 -0.198 17889 540 1 7 . 1 1 5 5 SER H H 5 8.375 8.375 8.342 0.033 17889 541 1 7 . 1 1 6 6 ASP N N 6 122.035 122.035 126.870 -4.835 17889 542 1 7 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.587 -0.018 17889 543 1 7 . 1 1 6 6 ASP H H 6 8.405 8.405 8.977 -0.572 17889 544 1 7 . 1 1 7 7 GLU N N 7 120.246 120.246 118.140 2.106 17889 545 1 7 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.266 0.007 17889 546 1 7 . 1 1 7 7 GLU H H 7 8.237 8.237 8.249 -0.012 17889 547 1 7 . 1 1 8 8 SER N N 8 117.720 117.720 116.518 1.202 17889 548 1 7 . 1 1 8 8 SER HA H 8 4.398 4.398 4.612 -0.214 17889 549 1 7 . 1 1 8 8 SER H H 8 8.193 8.193 8.682 -0.489 17889 550 1 7 . 1 1 9 9 THR N N 9 115.050 115.050 113.414 1.636 17889 551 1 7 . 1 1 9 9 THR HA H 9 4.226 4.226 4.022 0.204 17889 552 1 7 . 1 1 9 9 THR H H 9 8.051 8.051 8.629 -0.578 17889 553 1 7 . 1 1 10 10 SER N N 10 116.587 116.587 113.133 3.454 17889 554 1 7 . 1 1 10 10 SER HA H 10 4.341 4.341 4.849 -0.508 17889 555 1 7 . 1 1 10 10 SER H H 10 8.276 8.276 7.537 0.739 17889 556 1 7 . 1 1 14 14 GLU N N 14 121.529 121.529 121.313 0.216 17889 557 1 7 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.060 0.130 17889 558 1 7 . 1 1 14 14 GLU H H 14 8.117 8.117 7.732 0.385 17889 559 1 7 . 1 1 15 15 SER N N 15 116.705 116.705 115.667 1.038 17889 560 1 7 . 1 1 15 15 SER HA H 15 4.331 4.331 4.375 -0.044 17889 561 1 7 . 1 1 15 15 SER H H 15 8.114 8.114 7.097 1.017 17889 562 1 7 . 1 1 16 16 ILE N N 16 122.303 122.303 122.658 -0.355 17889 563 1 7 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.843 0.218 17889 564 1 7 . 1 1 16 16 ILE H H 16 7.981 7.981 8.422 -0.441 17889 565 1 7 . 1 1 17 17 ALA N N 17 127.099 127.099 123.736 3.363 17889 566 1 7 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.183 -0.000 17889 567 1 7 . 1 1 17 17 ALA H H 17 8.161 8.161 8.492 -0.331 17889 568 1 7 . 1 1 18 18 ASP N N 18 118.740 118.740 118.430 0.310 17889 569 1 7 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.538 -0.023 17889 570 1 7 . 1 1 18 18 ASP H H 18 8.134 8.134 8.591 -0.457 17889 571 1 7 . 1 1 19 19 ASN N N 19 118.913 118.913 114.903 4.010 17889 572 1 7 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.645 -0.080 17889 573 1 7 . 1 1 19 19 ASN H H 19 8.189 8.189 8.153 0.036 17889 574 1 7 . 1 1 20 20 ASN N N 20 118.703 118.703 117.310 1.393 17889 575 1 7 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.543 0.050 17889 576 1 7 . 1 1 20 20 ASN H H 20 8.290 8.290 7.847 0.443 17889 577 1 7 . 1 1 21 21 ASP N N 21 119.859 119.859 119.409 0.450 17889 578 1 7 . 1 1 21 21 ASP HA H 21 4.548 4.548 3.951 0.597 17889 579 1 7 . 1 1 21 21 ASP H H 21 8.206 8.206 8.393 -0.187 17889 580 1 7 . 1 1 22 22 ASP N N 22 120.431 120.431 115.634 4.797 17889 581 1 7 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.539 0.011 17889 582 1 7 . 1 1 22 22 ASP H H 22 8.294 8.294 8.246 0.048 17889 583 1 7 . 1 1 23 23 SER N N 23 115.864 115.864 113.472 2.392 17889 584 1 7 . 1 1 23 23 SER HA H 23 4.213 4.213 4.522 -0.309 17889 585 1 7 . 1 1 23 23 SER H H 23 8.186 8.186 7.666 0.520 17889 586 1 7 . 1 1 24 24 TYR N N 24 121.678 121.678 113.590 8.088 17889 587 1 7 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.917 -0.647 17889 588 1 7 . 1 1 24 24 TYR H H 24 7.955 7.955 7.287 0.668 17889 589 1 7 . 1 1 25 25 PHE N N 25 119.567 119.567 122.389 -2.822 17889 590 1 7 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.828 -0.462 17889 591 1 7 . 1 1 25 25 PHE H H 25 7.776 7.776 8.204 -0.428 17889 592 1 7 . 1 1 26 26 GLN N N 26 120.553 120.553 118.580 1.973 17889 593 1 7 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.297 -0.165 17889 594 1 7 . 1 1 26 26 GLN H H 26 7.928 7.928 8.631 -0.703 17889 595 1 7 . 1 1 27 27 ARG N N 27 121.580 121.580 122.390 -0.810 17889 596 1 7 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.207 -0.024 17889 597 1 7 . 1 1 27 27 ARG H H 27 8.027 8.027 7.859 0.168 17889 598 1 7 . 1 1 28 28 LYS N N 28 123.672 123.672 122.597 1.075 17889 599 1 7 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.674 -0.203 17889 600 1 7 . 1 1 28 28 LYS H H 28 8.158 8.158 7.983 0.175 17889 601 1 7 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.415 -0.117 17889 602 1 7 . 1 1 30 30 LYS N N 30 121.864 121.864 119.289 2.575 17889 603 1 7 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.296 -0.101 17889 604 1 7 . 1 1 30 30 LYS H H 30 8.307 8.307 7.664 0.643 17889 605 1 7 . 1 1 31 31 LEU N N 31 124.171 124.171 123.539 0.632 17889 606 1 7 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.533 -0.163 17889 607 1 7 . 1 1 31 31 LEU H H 31 8.276 8.276 8.516 -0.240 17889 608 1 7 . 1 1 32 32 THR N N 32 119.714 119.714 116.327 3.387 17889 609 1 7 . 1 1 32 32 THR HA H 32 4.378 4.378 3.956 0.422 17889 610 1 7 . 1 1 32 32 THR H H 32 7.952 7.952 8.505 -0.553 17889 611 1 7 . 1 1 33 33 GLU N N 33 121.732 121.732 121.854 -0.122 17889 612 1 7 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.371 -0.201 17889 613 1 7 . 1 1 33 33 GLU H H 33 7.865 7.865 8.563 -0.698 17889 614 1 7 . 1 1 34 34 ALA N N 34 127.078 127.078 130.228 -3.150 17889 615 1 7 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.509 -0.009 17889 616 1 7 . 1 1 34 34 ALA H H 34 8.215 8.215 8.573 -0.358 17889 617 1 8 . 1 1 2 2 HIS N N 2 121.309 121.309 119.387 1.922 17889 618 1 8 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.982 -0.329 17889 619 1 8 . 1 1 2 2 HIS H H 2 8.959 8.959 8.037 0.922 17889 620 1 8 . 1 1 3 3 LYS N N 3 123.963 123.963 119.265 4.698 17889 621 1 8 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.504 -0.309 17889 622 1 8 . 1 1 3 3 LYS H H 3 8.533 8.533 8.542 -0.009 17889 623 1 8 . 1 1 4 4 HIS N N 4 120.657 120.657 117.737 2.920 17889 624 1 8 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.575 0.031 17889 625 1 8 . 1 1 4 4 HIS H H 4 8.690 8.690 8.289 0.401 17889 626 1 8 . 1 1 5 5 SER N N 5 117.522 117.522 113.273 4.249 17889 627 1 8 . 1 1 5 5 SER HA H 5 4.347 4.347 4.460 -0.113 17889 628 1 8 . 1 1 5 5 SER H H 5 8.375 8.375 8.398 -0.023 17889 629 1 8 . 1 1 6 6 ASP N N 6 122.035 122.035 119.947 2.088 17889 630 1 8 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.746 -0.177 17889 631 1 8 . 1 1 6 6 ASP H H 6 8.405 8.405 7.767 0.638 17889 632 1 8 . 1 1 7 7 GLU N N 7 120.246 120.246 122.174 -1.928 17889 633 1 8 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.497 -0.224 17889 634 1 8 . 1 1 7 7 GLU H H 7 8.237 8.237 8.453 -0.216 17889 635 1 8 . 1 1 8 8 SER N N 8 117.720 117.720 116.482 1.238 17889 636 1 8 . 1 1 8 8 SER HA H 8 4.398 4.398 4.153 0.245 17889 637 1 8 . 1 1 8 8 SER H H 8 8.193 8.193 8.924 -0.731 17889 638 1 8 . 1 1 9 9 THR N N 9 115.050 115.050 113.621 1.429 17889 639 1 8 . 1 1 9 9 THR HA H 9 4.226 4.226 4.141 0.085 17889 640 1 8 . 1 1 9 9 THR H H 9 8.051 8.051 8.141 -0.090 17889 641 1 8 . 1 1 10 10 SER N N 10 116.587 116.587 112.979 3.608 17889 642 1 8 . 1 1 10 10 SER HA H 10 4.341 4.341 4.507 -0.166 17889 643 1 8 . 1 1 10 10 SER H H 10 8.276 8.276 8.201 0.075 17889 644 1 8 . 1 1 14 14 GLU N N 14 121.529 121.529 122.765 -1.236 17889 645 1 8 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.028 0.162 17889 646 1 8 . 1 1 14 14 GLU H H 14 8.117 8.117 8.869 -0.752 17889 647 1 8 . 1 1 15 15 SER N N 15 116.705 116.705 113.460 3.245 17889 648 1 8 . 1 1 15 15 SER HA H 15 4.331 4.331 4.333 -0.002 17889 649 1 8 . 1 1 15 15 SER H H 15 8.114 8.114 7.724 0.390 17889 650 1 8 . 1 1 16 16 ILE N N 16 122.303 122.303 122.235 0.068 17889 651 1 8 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.823 0.238 17889 652 1 8 . 1 1 16 16 ILE H H 16 7.981 7.981 8.647 -0.666 17889 653 1 8 . 1 1 17 17 ALA N N 17 127.099 127.099 120.361 6.738 17889 654 1 8 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.174 0.009 17889 655 1 8 . 1 1 17 17 ALA H H 17 8.161 8.161 7.800 0.361 17889 656 1 8 . 1 1 18 18 ASP N N 18 118.740 118.740 117.171 1.569 17889 657 1 8 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.194 0.321 17889 658 1 8 . 1 1 18 18 ASP H H 18 8.134 8.134 8.880 -0.746 17889 659 1 8 . 1 1 19 19 ASN N N 19 118.913 118.913 112.883 6.030 17889 660 1 8 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.721 -0.156 17889 661 1 8 . 1 1 19 19 ASN H H 19 8.189 8.189 7.997 0.192 17889 662 1 8 . 1 1 20 20 ASN N N 20 118.703 118.703 118.153 0.550 17889 663 1 8 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.884 -0.291 17889 664 1 8 . 1 1 20 20 ASN H H 20 8.290 8.290 8.215 0.075 17889 665 1 8 . 1 1 21 21 ASP N N 21 119.859 119.859 120.305 -0.446 17889 666 1 8 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.636 -0.088 17889 667 1 8 . 1 1 21 21 ASP H H 21 8.206 8.206 8.832 -0.626 17889 668 1 8 . 1 1 22 22 ASP N N 22 120.431 120.431 118.909 1.522 17889 669 1 8 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.437 0.113 17889 670 1 8 . 1 1 22 22 ASP H H 22 8.294 8.294 8.604 -0.310 17889 671 1 8 . 1 1 23 23 SER N N 23 115.864 115.864 111.951 3.913 17889 672 1 8 . 1 1 23 23 SER HA H 23 4.213 4.213 4.674 -0.461 17889 673 1 8 . 1 1 23 23 SER H H 23 8.186 8.186 8.038 0.148 17889 674 1 8 . 1 1 24 24 TYR N N 24 121.678 121.678 120.179 1.499 17889 675 1 8 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.601 -0.331 17889 676 1 8 . 1 1 24 24 TYR H H 24 7.955 7.955 7.937 0.018 17889 677 1 8 . 1 1 25 25 PHE N N 25 119.567 119.567 119.138 0.429 17889 678 1 8 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.468 -0.102 17889 679 1 8 . 1 1 25 25 PHE H H 25 7.776 7.776 7.619 0.157 17889 680 1 8 . 1 1 26 26 GLN N N 26 120.553 120.553 118.556 1.997 17889 681 1 8 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.201 -0.069 17889 682 1 8 . 1 1 26 26 GLN H H 26 7.928 7.928 8.216 -0.288 17889 683 1 8 . 1 1 27 27 ARG N N 27 121.580 121.580 119.474 2.106 17889 684 1 8 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.075 0.108 17889 685 1 8 . 1 1 27 27 ARG H H 27 8.027 8.027 7.885 0.142 17889 686 1 8 . 1 1 28 28 LYS N N 28 123.672 123.672 117.545 6.127 17889 687 1 8 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.030 0.441 17889 688 1 8 . 1 1 28 28 LYS H H 28 8.158 8.158 8.505 -0.347 17889 689 1 8 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.307 -0.009 17889 690 1 8 . 1 1 30 30 LYS N N 30 121.864 121.864 116.489 5.375 17889 691 1 8 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.138 0.057 17889 692 1 8 . 1 1 30 30 LYS H H 30 8.307 8.307 8.047 0.260 17889 693 1 8 . 1 1 31 31 LEU N N 31 124.171 124.171 120.882 3.289 17889 694 1 8 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.408 -0.038 17889 695 1 8 . 1 1 31 31 LEU H H 31 8.276 8.276 8.445 -0.169 17889 696 1 8 . 1 1 32 32 THR N N 32 119.714 119.714 111.217 8.497 17889 697 1 8 . 1 1 32 32 THR HA H 32 4.378 4.378 4.368 0.010 17889 698 1 8 . 1 1 32 32 THR H H 32 7.952 7.952 7.572 0.380 17889 699 1 8 . 1 1 33 33 GLU N N 33 121.732 121.732 120.438 1.294 17889 700 1 8 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.951 -0.781 17889 701 1 8 . 1 1 33 33 GLU H H 33 7.865 7.865 8.384 -0.519 17889 702 1 8 . 1 1 34 34 ALA N N 34 127.078 127.078 127.470 -0.392 17889 703 1 8 . 1 1 34 34 ALA HA H 34 4.500 4.500 5.192 -0.692 17889 704 1 8 . 1 1 34 34 ALA H H 34 8.215 8.215 8.660 -0.445 17889 705 1 9 . 1 1 2 2 HIS N N 2 121.309 121.309 121.387 -0.078 17889 706 1 9 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.646 0.007 17889 707 1 9 . 1 1 2 2 HIS H H 2 8.959 8.959 8.271 0.688 17889 708 1 9 . 1 1 3 3 LYS N N 3 123.963 123.963 121.840 2.123 17889 709 1 9 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.247 -0.052 17889 710 1 9 . 1 1 3 3 LYS H H 3 8.533 8.533 7.984 0.548 17889 711 1 9 . 1 1 4 4 HIS N N 4 120.657 120.657 120.193 0.464 17889 712 1 9 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.594 0.012 17889 713 1 9 . 1 1 4 4 HIS H H 4 8.690 8.690 8.185 0.505 17889 714 1 9 . 1 1 5 5 SER N N 5 117.522 117.522 115.198 2.324 17889 715 1 9 . 1 1 5 5 SER HA H 5 4.347 4.347 4.408 -0.061 17889 716 1 9 . 1 1 5 5 SER H H 5 8.375 8.375 7.831 0.544 17889 717 1 9 . 1 1 6 6 ASP N N 6 122.035 122.035 126.581 -4.546 17889 718 1 9 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.712 -0.143 17889 719 1 9 . 1 1 6 6 ASP H H 6 8.405 8.405 8.072 0.333 17889 720 1 9 . 1 1 7 7 GLU N N 7 120.246 120.246 118.167 2.079 17889 721 1 9 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.347 -0.074 17889 722 1 9 . 1 1 7 7 GLU H H 7 8.237 8.237 8.484 -0.247 17889 723 1 9 . 1 1 8 8 SER N N 8 117.720 117.720 115.712 2.008 17889 724 1 9 . 1 1 8 8 SER HA H 8 4.398 4.398 4.392 0.006 17889 725 1 9 . 1 1 8 8 SER H H 8 8.193 8.193 8.587 -0.394 17889 726 1 9 . 1 1 9 9 THR N N 9 115.050 115.050 109.398 5.652 17889 727 1 9 . 1 1 9 9 THR HA H 9 4.226 4.226 4.034 0.192 17889 728 1 9 . 1 1 9 9 THR H H 9 8.051 8.051 8.161 -0.110 17889 729 1 9 . 1 1 10 10 SER N N 10 116.587 116.587 113.250 3.337 17889 730 1 9 . 1 1 10 10 SER HA H 10 4.341 4.341 4.488 -0.147 17889 731 1 9 . 1 1 10 10 SER H H 10 8.276 8.276 7.688 0.588 17889 732 1 9 . 1 1 14 14 GLU N N 14 121.529 121.529 121.748 -0.219 17889 733 1 9 . 1 1 14 14 GLU HA H 14 4.190 4.190 3.925 0.265 17889 734 1 9 . 1 1 14 14 GLU H H 14 8.117 8.117 8.371 -0.254 17889 735 1 9 . 1 1 15 15 SER N N 15 116.705 116.705 117.426 -0.721 17889 736 1 9 . 1 1 15 15 SER HA H 15 4.331 4.331 4.588 -0.257 17889 737 1 9 . 1 1 15 15 SER H H 15 8.114 8.114 8.345 -0.231 17889 738 1 9 . 1 1 16 16 ILE N N 16 122.303 122.303 122.478 -0.175 17889 739 1 9 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.870 0.191 17889 740 1 9 . 1 1 16 16 ILE H H 16 7.981 7.981 8.438 -0.457 17889 741 1 9 . 1 1 17 17 ALA N N 17 127.099 127.099 122.299 4.800 17889 742 1 9 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.167 0.016 17889 743 1 9 . 1 1 17 17 ALA H H 17 8.161 8.161 7.724 0.437 17889 744 1 9 . 1 1 18 18 ASP N N 18 118.740 118.740 116.967 1.773 17889 745 1 9 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.327 0.188 17889 746 1 9 . 1 1 18 18 ASP H H 18 8.134 8.134 9.100 -0.966 17889 747 1 9 . 1 1 19 19 ASN N N 19 118.913 118.913 112.130 6.783 17889 748 1 9 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.703 -0.138 17889 749 1 9 . 1 1 19 19 ASN H H 19 8.189 8.189 8.011 0.178 17889 750 1 9 . 1 1 20 20 ASN N N 20 118.703 118.703 115.947 2.756 17889 751 1 9 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.686 -0.093 17889 752 1 9 . 1 1 20 20 ASN H H 20 8.290 8.290 8.028 0.262 17889 753 1 9 . 1 1 21 21 ASP N N 21 119.859 119.859 119.401 0.458 17889 754 1 9 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.199 0.349 17889 755 1 9 . 1 1 21 21 ASP H H 21 8.206 8.206 8.427 -0.221 17889 756 1 9 . 1 1 22 22 ASP N N 22 120.431 120.431 116.376 4.055 17889 757 1 9 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.495 0.055 17889 758 1 9 . 1 1 22 22 ASP H H 22 8.294 8.294 8.871 -0.577 17889 759 1 9 . 1 1 23 23 SER N N 23 115.864 115.864 115.466 0.398 17889 760 1 9 . 1 1 23 23 SER HA H 23 4.213 4.213 4.411 -0.198 17889 761 1 9 . 1 1 23 23 SER H H 23 8.186 8.186 7.735 0.451 17889 762 1 9 . 1 1 24 24 TYR N N 24 121.678 121.678 113.571 8.107 17889 763 1 9 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.732 -0.462 17889 764 1 9 . 1 1 24 24 TYR H H 24 7.955 7.955 7.378 0.577 17889 765 1 9 . 1 1 25 25 PHE N N 25 119.567 119.567 121.519 -1.952 17889 766 1 9 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.723 -0.357 17889 767 1 9 . 1 1 25 25 PHE H H 25 7.776 7.776 7.573 0.203 17889 768 1 9 . 1 1 26 26 GLN N N 26 120.553 120.553 117.850 2.703 17889 769 1 9 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.069 0.063 17889 770 1 9 . 1 1 26 26 GLN H H 26 7.928 7.928 8.109 -0.181 17889 771 1 9 . 1 1 27 27 ARG N N 27 121.580 121.580 114.652 6.928 17889 772 1 9 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.193 -0.010 17889 773 1 9 . 1 1 27 27 ARG H H 27 8.027 8.027 7.655 0.372 17889 774 1 9 . 1 1 28 28 LYS N N 28 123.672 123.672 119.970 3.702 17889 775 1 9 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.752 -0.281 17889 776 1 9 . 1 1 28 28 LYS H H 28 8.158 8.158 8.111 0.047 17889 777 1 9 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.266 0.032 17889 778 1 9 . 1 1 30 30 LYS N N 30 121.864 121.864 113.727 8.137 17889 779 1 9 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.427 -0.232 17889 780 1 9 . 1 1 30 30 LYS H H 30 8.307 8.307 7.476 0.831 17889 781 1 9 . 1 1 31 31 LEU N N 31 124.171 124.171 113.076 11.095 17889 782 1 9 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.594 -0.224 17889 783 1 9 . 1 1 31 31 LEU H H 31 8.276 8.276 8.080 0.196 17889 784 1 9 . 1 1 32 32 THR N N 32 119.714 119.714 113.610 6.104 17889 785 1 9 . 1 1 32 32 THR HA H 32 4.378 4.378 4.449 -0.071 17889 786 1 9 . 1 1 32 32 THR H H 32 7.952 7.952 8.107 -0.155 17889 787 1 9 . 1 1 33 33 GLU N N 33 121.732 121.732 119.974 1.758 17889 788 1 9 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.626 -0.456 17889 789 1 9 . 1 1 33 33 GLU H H 33 7.865 7.865 8.154 -0.289 17889 790 1 9 . 1 1 34 34 ALA N N 34 127.078 127.078 123.725 3.353 17889 791 1 9 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.132 0.368 17889 792 1 9 . 1 1 34 34 ALA H H 34 8.215 8.215 8.156 0.059 17889 793 1 10 . 1 1 2 2 HIS N N 2 121.309 121.309 119.673 1.636 17889 794 1 10 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.699 -0.046 17889 795 1 10 . 1 1 2 2 HIS H H 2 8.959 8.959 7.983 0.976 17889 796 1 10 . 1 1 3 3 LYS N N 3 123.963 123.963 119.823 4.140 17889 797 1 10 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.066 0.129 17889 798 1 10 . 1 1 3 3 LYS H H 3 8.533 8.533 8.991 -0.458 17889 799 1 10 . 1 1 4 4 HIS N N 4 120.657 120.657 120.936 -0.279 17889 800 1 10 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.670 -0.064 17889 801 1 10 . 1 1 4 4 HIS H H 4 8.690 8.690 8.406 0.284 17889 802 1 10 . 1 1 5 5 SER N N 5 117.522 117.522 115.014 2.508 17889 803 1 10 . 1 1 5 5 SER HA H 5 4.347 4.347 4.203 0.144 17889 804 1 10 . 1 1 5 5 SER H H 5 8.375 8.375 8.275 0.100 17889 805 1 10 . 1 1 6 6 ASP N N 6 122.035 122.035 117.066 4.969 17889 806 1 10 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.663 -0.094 17889 807 1 10 . 1 1 6 6 ASP H H 6 8.405 8.405 8.113 0.292 17889 808 1 10 . 1 1 7 7 GLU N N 7 120.246 120.246 118.242 2.004 17889 809 1 10 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.431 -0.158 17889 810 1 10 . 1 1 7 7 GLU H H 7 8.237 8.237 8.075 0.162 17889 811 1 10 . 1 1 8 8 SER N N 8 117.720 117.720 115.325 2.395 17889 812 1 10 . 1 1 8 8 SER HA H 8 4.398 4.398 4.591 -0.193 17889 813 1 10 . 1 1 8 8 SER H H 8 8.193 8.193 8.453 -0.260 17889 814 1 10 . 1 1 9 9 THR N N 9 115.050 115.050 114.273 0.777 17889 815 1 10 . 1 1 9 9 THR HA H 9 4.226 4.226 4.099 0.127 17889 816 1 10 . 1 1 9 9 THR H H 9 8.051 8.051 8.146 -0.095 17889 817 1 10 . 1 1 10 10 SER N N 10 116.587 116.587 113.931 2.656 17889 818 1 10 . 1 1 10 10 SER HA H 10 4.341 4.341 4.705 -0.364 17889 819 1 10 . 1 1 10 10 SER H H 10 8.276 8.276 8.135 0.141 17889 820 1 10 . 1 1 14 14 GLU N N 14 121.529 121.529 118.172 3.357 17889 821 1 10 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.391 -0.201 17889 822 1 10 . 1 1 14 14 GLU H H 14 8.117 8.117 8.588 -0.471 17889 823 1 10 . 1 1 15 15 SER N N 15 116.705 116.705 111.917 4.788 17889 824 1 10 . 1 1 15 15 SER HA H 15 4.331 4.331 4.983 -0.652 17889 825 1 10 . 1 1 15 15 SER H H 15 8.114 8.114 7.614 0.500 17889 826 1 10 . 1 1 16 16 ILE N N 16 122.303 122.303 115.497 6.806 17889 827 1 10 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.438 -0.377 17889 828 1 10 . 1 1 16 16 ILE H H 16 7.981 7.981 8.822 -0.841 17889 829 1 10 . 1 1 17 17 ALA N N 17 127.099 127.099 125.118 1.981 17889 830 1 10 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.343 -0.160 17889 831 1 10 . 1 1 17 17 ALA H H 17 8.161 8.161 8.191 -0.030 17889 832 1 10 . 1 1 18 18 ASP N N 18 118.740 118.740 116.227 2.513 17889 833 1 10 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.843 -0.328 17889 834 1 10 . 1 1 18 18 ASP H H 18 8.134 8.134 8.428 -0.294 17889 835 1 10 . 1 1 19 19 ASN N N 19 118.913 118.913 115.207 3.706 17889 836 1 10 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.733 -0.168 17889 837 1 10 . 1 1 19 19 ASN H H 19 8.189 8.189 8.274 -0.085 17889 838 1 10 . 1 1 20 20 ASN N N 20 118.703 118.703 116.740 1.963 17889 839 1 10 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.855 -0.262 17889 840 1 10 . 1 1 20 20 ASN H H 20 8.290 8.290 7.815 0.475 17889 841 1 10 . 1 1 21 21 ASP N N 21 119.859 119.859 119.397 0.462 17889 842 1 10 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.409 0.139 17889 843 1 10 . 1 1 21 21 ASP H H 21 8.206 8.206 8.619 -0.413 17889 844 1 10 . 1 1 22 22 ASP N N 22 120.431 120.431 116.909 3.522 17889 845 1 10 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.629 -0.079 17889 846 1 10 . 1 1 22 22 ASP H H 22 8.294 8.294 8.484 -0.190 17889 847 1 10 . 1 1 23 23 SER N N 23 115.864 115.864 114.024 1.840 17889 848 1 10 . 1 1 23 23 SER HA H 23 4.213 4.213 4.478 -0.265 17889 849 1 10 . 1 1 23 23 SER H H 23 8.186 8.186 7.857 0.329 17889 850 1 10 . 1 1 24 24 TYR N N 24 121.678 121.678 112.322 9.356 17889 851 1 10 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.878 -0.608 17889 852 1 10 . 1 1 24 24 TYR H H 24 7.955 7.955 7.674 0.281 17889 853 1 10 . 1 1 25 25 PHE N N 25 119.567 119.567 118.497 1.070 17889 854 1 10 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.650 -0.284 17889 855 1 10 . 1 1 25 25 PHE H H 25 7.776 7.776 7.502 0.274 17889 856 1 10 . 1 1 26 26 GLN N N 26 120.553 120.553 116.117 4.436 17889 857 1 10 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.542 -0.410 17889 858 1 10 . 1 1 26 26 GLN H H 26 7.928 7.928 8.159 -0.231 17889 859 1 10 . 1 1 27 27 ARG N N 27 121.580 121.580 122.355 -0.775 17889 860 1 10 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.280 -0.097 17889 861 1 10 . 1 1 27 27 ARG H H 27 8.027 8.027 8.093 -0.066 17889 862 1 10 . 1 1 28 28 LYS N N 28 123.672 123.672 119.006 4.666 17889 863 1 10 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.087 0.384 17889 864 1 10 . 1 1 28 28 LYS H H 28 8.158 8.158 8.107 0.051 17889 865 1 10 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.623 -0.325 17889 866 1 10 . 1 1 30 30 LYS N N 30 121.864 121.864 123.293 -1.429 17889 867 1 10 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.472 -0.277 17889 868 1 10 . 1 1 30 30 LYS H H 30 8.307 8.307 8.352 -0.045 17889 869 1 10 . 1 1 31 31 LEU N N 31 124.171 124.171 119.675 4.496 17889 870 1 10 . 1 1 31 31 LEU HA H 31 4.370 4.370 3.983 0.387 17889 871 1 10 . 1 1 31 31 LEU H H 31 8.276 8.276 8.297 -0.021 17889 872 1 10 . 1 1 32 32 THR N N 32 119.714 119.714 110.086 9.628 17889 873 1 10 . 1 1 32 32 THR HA H 32 4.378 4.378 4.395 -0.017 17889 874 1 10 . 1 1 32 32 THR H H 32 7.952 7.952 7.909 0.043 17889 875 1 10 . 1 1 33 33 GLU N N 33 121.732 121.732 119.905 1.827 17889 876 1 10 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.586 -0.416 17889 877 1 10 . 1 1 33 33 GLU H H 33 7.865 7.865 8.302 -0.437 17889 878 1 10 . 1 1 34 34 ALA N N 34 127.078 127.078 124.613 2.465 17889 879 1 10 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.467 0.033 17889 880 1 10 . 1 1 34 34 ALA H H 34 8.215 8.215 8.212 0.003 17889 881 1 11 . 1 1 2 2 HIS N N 2 121.309 121.309 120.557 0.752 17889 882 1 11 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.662 -0.009 17889 883 1 11 . 1 1 2 2 HIS H H 2 8.959 8.959 8.705 0.254 17889 884 1 11 . 1 1 3 3 LYS N N 3 123.963 123.963 122.294 1.669 17889 885 1 11 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.426 -0.231 17889 886 1 11 . 1 1 3 3 LYS H H 3 8.533 8.533 8.612 -0.079 17889 887 1 11 . 1 1 4 4 HIS N N 4 120.657 120.657 116.998 3.659 17889 888 1 11 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.403 0.203 17889 889 1 11 . 1 1 4 4 HIS H H 4 8.690 8.690 7.641 1.049 17889 890 1 11 . 1 1 5 5 SER N N 5 117.522 117.522 114.998 2.524 17889 891 1 11 . 1 1 5 5 SER HA H 5 4.347 4.347 4.433 -0.085 17889 892 1 11 . 1 1 5 5 SER H H 5 8.375 8.375 8.524 -0.149 17889 893 1 11 . 1 1 6 6 ASP N N 6 122.035 122.035 121.855 0.180 17889 894 1 11 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.640 -0.071 17889 895 1 11 . 1 1 6 6 ASP H H 6 8.405 8.405 8.256 0.149 17889 896 1 11 . 1 1 7 7 GLU N N 7 120.246 120.246 123.317 -3.071 17889 897 1 11 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.305 -0.032 17889 898 1 11 . 1 1 7 7 GLU H H 7 8.237 8.237 8.184 0.053 17889 899 1 11 . 1 1 8 8 SER N N 8 117.720 117.720 115.407 2.313 17889 900 1 11 . 1 1 8 8 SER HA H 8 4.398 4.398 4.635 -0.237 17889 901 1 11 . 1 1 8 8 SER H H 8 8.193 8.193 7.994 0.199 17889 902 1 11 . 1 1 9 9 THR N N 9 115.050 115.050 110.500 4.550 17889 903 1 11 . 1 1 9 9 THR HA H 9 4.226 4.226 4.120 0.106 17889 904 1 11 . 1 1 9 9 THR H H 9 8.051 8.051 8.158 -0.107 17889 905 1 11 . 1 1 10 10 SER N N 10 116.587 116.587 114.497 2.090 17889 906 1 11 . 1 1 10 10 SER HA H 10 4.341 4.341 4.513 -0.172 17889 907 1 11 . 1 1 10 10 SER H H 10 8.276 8.276 7.714 0.562 17889 908 1 11 . 1 1 14 14 GLU N N 14 121.529 121.529 128.838 -7.309 17889 909 1 11 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.285 -0.095 17889 910 1 11 . 1 1 14 14 GLU H H 14 8.117 8.117 8.399 -0.282 17889 911 1 11 . 1 1 15 15 SER N N 15 116.705 116.705 119.635 -2.930 17889 912 1 11 . 1 1 15 15 SER HA H 15 4.331 4.331 4.403 -0.072 17889 913 1 11 . 1 1 15 15 SER H H 15 8.114 8.114 8.197 -0.083 17889 914 1 11 . 1 1 16 16 ILE N N 16 122.303 122.303 121.933 0.370 17889 915 1 11 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.788 0.273 17889 916 1 11 . 1 1 16 16 ILE H H 16 7.981 7.981 8.687 -0.706 17889 917 1 11 . 1 1 17 17 ALA N N 17 127.099 127.099 121.809 5.290 17889 918 1 11 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.003 0.180 17889 919 1 11 . 1 1 17 17 ALA H H 17 8.161 8.161 7.426 0.735 17889 920 1 11 . 1 1 18 18 ASP N N 18 118.740 118.740 118.081 0.659 17889 921 1 11 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.238 0.277 17889 922 1 11 . 1 1 18 18 ASP H H 18 8.134 8.134 8.883 -0.749 17889 923 1 11 . 1 1 19 19 ASN N N 19 118.913 118.913 112.484 6.429 17889 924 1 11 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.686 -0.121 17889 925 1 11 . 1 1 19 19 ASN H H 19 8.189 8.189 7.978 0.211 17889 926 1 11 . 1 1 20 20 ASN N N 20 118.703 118.703 118.410 0.293 17889 927 1 11 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.863 -0.270 17889 928 1 11 . 1 1 20 20 ASN H H 20 8.290 8.290 8.198 0.092 17889 929 1 11 . 1 1 21 21 ASP N N 21 119.859 119.859 118.583 1.276 17889 930 1 11 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.672 -0.124 17889 931 1 11 . 1 1 21 21 ASP H H 21 8.206 8.206 8.867 -0.661 17889 932 1 11 . 1 1 22 22 ASP N N 22 120.431 120.431 115.599 4.832 17889 933 1 11 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.501 0.049 17889 934 1 11 . 1 1 22 22 ASP H H 22 8.294 8.294 8.500 -0.206 17889 935 1 11 . 1 1 23 23 SER N N 23 115.864 115.864 112.014 3.850 17889 936 1 11 . 1 1 23 23 SER HA H 23 4.213 4.213 4.481 -0.268 17889 937 1 11 . 1 1 23 23 SER H H 23 8.186 8.186 7.638 0.548 17889 938 1 11 . 1 1 24 24 TYR N N 24 121.678 121.678 123.434 -1.756 17889 939 1 11 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.418 -0.148 17889 940 1 11 . 1 1 24 24 TYR H H 24 7.955 7.955 8.569 -0.614 17889 941 1 11 . 1 1 25 25 PHE N N 25 119.567 119.567 117.956 1.611 17889 942 1 11 . 1 1 25 25 PHE HA H 25 4.366 4.366 3.978 0.388 17889 943 1 11 . 1 1 25 25 PHE H H 25 7.776 7.776 7.885 -0.109 17889 944 1 11 . 1 1 26 26 GLN N N 26 120.553 120.553 117.249 3.304 17889 945 1 11 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.173 -0.041 17889 946 1 11 . 1 1 26 26 GLN H H 26 7.928 7.928 7.752 0.176 17889 947 1 11 . 1 1 27 27 ARG N N 27 121.580 121.580 116.513 5.067 17889 948 1 11 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.222 -0.039 17889 949 1 11 . 1 1 27 27 ARG H H 27 8.027 8.027 8.269 -0.242 17889 950 1 11 . 1 1 28 28 LYS N N 28 123.672 123.672 124.226 -0.554 17889 951 1 11 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.829 -0.358 17889 952 1 11 . 1 1 28 28 LYS H H 28 8.158 8.158 8.372 -0.214 17889 953 1 11 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.364 -0.066 17889 954 1 11 . 1 1 30 30 LYS N N 30 121.864 121.864 116.197 5.667 17889 955 1 11 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.300 -0.105 17889 956 1 11 . 1 1 30 30 LYS H H 30 8.307 8.307 8.123 0.184 17889 957 1 11 . 1 1 31 31 LEU N N 31 124.171 124.171 117.617 6.554 17889 958 1 11 . 1 1 31 31 LEU HA H 31 4.370 4.370 3.841 0.529 17889 959 1 11 . 1 1 31 31 LEU H H 31 8.276 8.276 7.782 0.494 17889 960 1 11 . 1 1 32 32 THR N N 32 119.714 119.714 113.209 6.505 17889 961 1 11 . 1 1 32 32 THR HA H 32 4.378 4.378 4.475 -0.097 17889 962 1 11 . 1 1 32 32 THR H H 32 7.952 7.952 7.857 0.095 17889 963 1 11 . 1 1 33 33 GLU N N 33 121.732 121.732 121.140 0.592 17889 964 1 11 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.151 0.019 17889 965 1 11 . 1 1 33 33 GLU H H 33 7.865 7.865 8.948 -1.083 17889 966 1 11 . 1 1 34 34 ALA N N 34 127.078 127.078 126.395 0.683 17889 967 1 11 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.536 -0.036 17889 968 1 11 . 1 1 34 34 ALA H H 34 8.215 8.215 7.901 0.314 17889 969 1 12 . 1 1 2 2 HIS N N 2 121.309 121.309 118.818 2.491 17889 970 1 12 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.691 -0.038 17889 971 1 12 . 1 1 2 2 HIS H H 2 8.959 8.959 8.079 0.880 17889 972 1 12 . 1 1 3 3 LYS N N 3 123.963 123.963 118.143 5.820 17889 973 1 12 . 1 1 3 3 LYS HA H 3 4.195 4.195 3.845 0.350 17889 974 1 12 . 1 1 3 3 LYS H H 3 8.533 8.533 8.721 -0.188 17889 975 1 12 . 1 1 4 4 HIS N N 4 120.657 120.657 115.440 5.217 17889 976 1 12 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.651 -0.045 17889 977 1 12 . 1 1 4 4 HIS H H 4 8.690 8.690 8.083 0.607 17889 978 1 12 . 1 1 5 5 SER N N 5 117.522 117.522 114.492 3.030 17889 979 1 12 . 1 1 5 5 SER HA H 5 4.347 4.347 4.097 0.250 17889 980 1 12 . 1 1 5 5 SER H H 5 8.375 8.375 8.994 -0.619 17889 981 1 12 . 1 1 6 6 ASP N N 6 122.035 122.035 118.370 3.665 17889 982 1 12 . 1 1 6 6 ASP HA H 6 4.569 4.569 5.244 -0.675 17889 983 1 12 . 1 1 6 6 ASP H H 6 8.405 8.405 8.367 0.038 17889 984 1 12 . 1 1 7 7 GLU N N 7 120.246 120.246 119.312 0.934 17889 985 1 12 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.325 -0.052 17889 986 1 12 . 1 1 7 7 GLU H H 7 8.237 8.237 8.421 -0.184 17889 987 1 12 . 1 1 8 8 SER N N 8 117.720 117.720 115.314 2.406 17889 988 1 12 . 1 1 8 8 SER HA H 8 4.398 4.398 4.411 -0.013 17889 989 1 12 . 1 1 8 8 SER H H 8 8.193 8.193 8.584 -0.391 17889 990 1 12 . 1 1 9 9 THR N N 9 115.050 115.050 109.665 5.385 17889 991 1 12 . 1 1 9 9 THR HA H 9 4.226 4.226 4.331 -0.105 17889 992 1 12 . 1 1 9 9 THR H H 9 8.051 8.051 7.613 0.438 17889 993 1 12 . 1 1 10 10 SER N N 10 116.587 116.587 114.346 2.241 17889 994 1 12 . 1 1 10 10 SER HA H 10 4.341 4.341 4.766 -0.425 17889 995 1 12 . 1 1 10 10 SER H H 10 8.276 8.276 7.821 0.455 17889 996 1 12 . 1 1 14 14 GLU N N 14 121.529 121.529 121.165 0.364 17889 997 1 12 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.162 0.028 17889 998 1 12 . 1 1 14 14 GLU H H 14 8.117 8.117 8.721 -0.604 17889 999 1 12 . 1 1 15 15 SER N N 15 116.705 116.705 113.311 3.394 17889 1000 1 12 . 1 1 15 15 SER HA H 15 4.331 4.331 4.184 0.147 17889 1001 1 12 . 1 1 15 15 SER H H 15 8.114 8.114 7.953 0.161 17889 1002 1 12 . 1 1 16 16 ILE N N 16 122.303 122.303 121.509 0.794 17889 1003 1 12 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.320 -0.259 17889 1004 1 12 . 1 1 16 16 ILE H H 16 7.981 7.981 8.602 -0.621 17889 1005 1 12 . 1 1 17 17 ALA N N 17 127.099 127.099 123.000 4.099 17889 1006 1 12 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.498 -0.315 17889 1007 1 12 . 1 1 17 17 ALA H H 17 8.161 8.161 8.202 -0.041 17889 1008 1 12 . 1 1 18 18 ASP N N 18 118.740 118.740 115.967 2.773 17889 1009 1 12 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.912 -0.397 17889 1010 1 12 . 1 1 18 18 ASP H H 18 8.134 8.134 8.561 -0.427 17889 1011 1 12 . 1 1 19 19 ASN N N 19 118.913 118.913 115.344 3.569 17889 1012 1 12 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.677 -0.112 17889 1013 1 12 . 1 1 19 19 ASN H H 19 8.189 8.189 8.346 -0.157 17889 1014 1 12 . 1 1 20 20 ASN N N 20 118.703 118.703 119.386 -0.683 17889 1015 1 12 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.889 -0.296 17889 1016 1 12 . 1 1 20 20 ASN H H 20 8.290 8.290 8.164 0.126 17889 1017 1 12 . 1 1 21 21 ASP N N 21 119.859 119.859 118.535 1.324 17889 1018 1 12 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.627 -0.079 17889 1019 1 12 . 1 1 21 21 ASP H H 21 8.206 8.206 8.804 -0.598 17889 1020 1 12 . 1 1 22 22 ASP N N 22 120.431 120.431 117.475 2.956 17889 1021 1 12 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.695 -0.145 17889 1022 1 12 . 1 1 22 22 ASP H H 22 8.294 8.294 8.564 -0.270 17889 1023 1 12 . 1 1 23 23 SER N N 23 115.864 115.864 113.551 2.313 17889 1024 1 12 . 1 1 23 23 SER HA H 23 4.213 4.213 4.696 -0.483 17889 1025 1 12 . 1 1 23 23 SER H H 23 8.186 8.186 8.051 0.135 17889 1026 1 12 . 1 1 24 24 TYR N N 24 121.678 121.678 117.437 4.241 17889 1027 1 12 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.785 -0.515 17889 1028 1 12 . 1 1 24 24 TYR H H 24 7.955 7.955 8.170 -0.215 17889 1029 1 12 . 1 1 25 25 PHE N N 25 119.567 119.567 119.810 -0.243 17889 1030 1 12 . 1 1 25 25 PHE HA H 25 4.366 4.366 3.834 0.532 17889 1031 1 12 . 1 1 25 25 PHE H H 25 7.776 7.776 7.575 0.201 17889 1032 1 12 . 1 1 26 26 GLN N N 26 120.553 120.553 112.311 8.242 17889 1033 1 12 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.459 -0.327 17889 1034 1 12 . 1 1 26 26 GLN H H 26 7.928 7.928 7.542 0.386 17889 1035 1 12 . 1 1 27 27 ARG N N 27 121.580 121.580 122.286 -0.706 17889 1036 1 12 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.526 -0.343 17889 1037 1 12 . 1 1 27 27 ARG H H 27 8.027 8.027 8.383 -0.356 17889 1038 1 12 . 1 1 28 28 LYS N N 28 123.672 123.672 122.119 1.553 17889 1039 1 12 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.745 -0.274 17889 1040 1 12 . 1 1 28 28 LYS H H 28 8.158 8.158 7.558 0.600 17889 1041 1 12 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.370 -0.072 17889 1042 1 12 . 1 1 30 30 LYS N N 30 121.864 121.864 118.489 3.375 17889 1043 1 12 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.475 -0.280 17889 1044 1 12 . 1 1 30 30 LYS H H 30 8.307 8.307 7.921 0.386 17889 1045 1 12 . 1 1 31 31 LEU N N 31 124.171 124.171 119.754 4.417 17889 1046 1 12 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.454 -0.084 17889 1047 1 12 . 1 1 31 31 LEU H H 31 8.276 8.276 8.172 0.104 17889 1048 1 12 . 1 1 32 32 THR N N 32 119.714 119.714 113.859 5.855 17889 1049 1 12 . 1 1 32 32 THR HA H 32 4.378 4.378 4.191 0.187 17889 1050 1 12 . 1 1 32 32 THR H H 32 7.952 7.952 8.290 -0.338 17889 1051 1 12 . 1 1 33 33 GLU N N 33 121.732 121.732 119.371 2.361 17889 1052 1 12 . 1 1 33 33 GLU HA H 33 4.170 4.170 3.987 0.183 17889 1053 1 12 . 1 1 33 33 GLU H H 33 7.865 7.865 8.422 -0.557 17889 1054 1 12 . 1 1 34 34 ALA N N 34 127.078 127.078 124.609 2.469 17889 1055 1 12 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.583 -0.083 17889 1056 1 12 . 1 1 34 34 ALA H H 34 8.215 8.215 7.847 0.368 17889 1057 1 13 . 1 1 2 2 HIS N N 2 121.309 121.309 120.252 1.057 17889 1058 1 13 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.496 0.157 17889 1059 1 13 . 1 1 2 2 HIS H H 2 8.959 8.959 8.118 0.841 17889 1060 1 13 . 1 1 3 3 LYS N N 3 123.963 123.963 120.833 3.130 17889 1061 1 13 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.115 0.080 17889 1062 1 13 . 1 1 3 3 LYS H H 3 8.533 8.533 8.396 0.137 17889 1063 1 13 . 1 1 4 4 HIS N N 4 120.657 120.657 121.400 -0.743 17889 1064 1 13 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.596 0.010 17889 1065 1 13 . 1 1 4 4 HIS H H 4 8.690 8.690 8.628 0.062 17889 1066 1 13 . 1 1 5 5 SER N N 5 117.522 117.522 114.587 2.935 17889 1067 1 13 . 1 1 5 5 SER HA H 5 4.347 4.347 4.367 -0.020 17889 1068 1 13 . 1 1 5 5 SER H H 5 8.375 8.375 8.190 0.185 17889 1069 1 13 . 1 1 6 6 ASP N N 6 122.035 122.035 122.790 -0.755 17889 1070 1 13 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.869 -0.300 17889 1071 1 13 . 1 1 6 6 ASP H H 6 8.405 8.405 8.579 -0.174 17889 1072 1 13 . 1 1 7 7 GLU N N 7 120.246 120.246 123.608 -3.362 17889 1073 1 13 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.357 -0.084 17889 1074 1 13 . 1 1 7 7 GLU H H 7 8.237 8.237 8.519 -0.282 17889 1075 1 13 . 1 1 8 8 SER N N 8 117.720 117.720 115.662 2.058 17889 1076 1 13 . 1 1 8 8 SER HA H 8 4.398 4.398 4.564 -0.166 17889 1077 1 13 . 1 1 8 8 SER H H 8 8.193 8.193 8.380 -0.187 17889 1078 1 13 . 1 1 9 9 THR N N 9 115.050 115.050 109.807 5.243 17889 1079 1 13 . 1 1 9 9 THR HA H 9 4.226 4.226 4.007 0.219 17889 1080 1 13 . 1 1 9 9 THR H H 9 8.051 8.051 8.122 -0.071 17889 1081 1 13 . 1 1 10 10 SER N N 10 116.587 116.587 113.817 2.770 17889 1082 1 13 . 1 1 10 10 SER HA H 10 4.341 4.341 4.627 -0.286 17889 1083 1 13 . 1 1 10 10 SER H H 10 8.276 8.276 7.978 0.298 17889 1084 1 13 . 1 1 14 14 GLU N N 14 121.529 121.529 123.263 -1.734 17889 1085 1 13 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.470 -0.280 17889 1086 1 13 . 1 1 14 14 GLU H H 14 8.117 8.117 9.022 -0.905 17889 1087 1 13 . 1 1 15 15 SER N N 15 116.705 116.705 113.891 2.814 17889 1088 1 13 . 1 1 15 15 SER HA H 15 4.331 4.331 4.925 -0.594 17889 1089 1 13 . 1 1 15 15 SER H H 15 8.114 8.114 8.028 0.086 17889 1090 1 13 . 1 1 16 16 ILE N N 16 122.303 122.303 120.429 1.874 17889 1091 1 13 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.212 -0.151 17889 1092 1 13 . 1 1 16 16 ILE H H 16 7.981 7.981 8.616 -0.635 17889 1093 1 13 . 1 1 17 17 ALA N N 17 127.099 127.099 122.777 4.322 17889 1094 1 13 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.143 0.040 17889 1095 1 13 . 1 1 17 17 ALA H H 17 8.161 8.161 7.200 0.961 17889 1096 1 13 . 1 1 18 18 ASP N N 18 118.740 118.740 117.768 0.972 17889 1097 1 13 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.135 0.380 17889 1098 1 13 . 1 1 18 18 ASP H H 18 8.134 8.134 8.957 -0.823 17889 1099 1 13 . 1 1 19 19 ASN N N 19 118.913 118.913 112.090 6.823 17889 1100 1 13 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.710 -0.145 17889 1101 1 13 . 1 1 19 19 ASN H H 19 8.189 8.189 8.238 -0.049 17889 1102 1 13 . 1 1 20 20 ASN N N 20 118.703 118.703 118.301 0.402 17889 1103 1 13 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.769 -0.176 17889 1104 1 13 . 1 1 20 20 ASN H H 20 8.290 8.290 8.171 0.119 17889 1105 1 13 . 1 1 21 21 ASP N N 21 119.859 119.859 120.359 -0.500 17889 1106 1 13 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.380 0.168 17889 1107 1 13 . 1 1 21 21 ASP H H 21 8.206 8.206 8.779 -0.573 17889 1108 1 13 . 1 1 22 22 ASP N N 22 120.431 120.431 117.821 2.610 17889 1109 1 13 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.624 -0.074 17889 1110 1 13 . 1 1 22 22 ASP H H 22 8.294 8.294 8.604 -0.310 17889 1111 1 13 . 1 1 23 23 SER N N 23 115.864 115.864 113.875 1.989 17889 1112 1 13 . 1 1 23 23 SER HA H 23 4.213 4.213 4.647 -0.434 17889 1113 1 13 . 1 1 23 23 SER H H 23 8.186 8.186 8.106 0.080 17889 1114 1 13 . 1 1 24 24 TYR N N 24 121.678 121.678 120.079 1.599 17889 1115 1 13 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.766 -0.496 17889 1116 1 13 . 1 1 24 24 TYR H H 24 7.955 7.955 7.965 -0.010 17889 1117 1 13 . 1 1 25 25 PHE N N 25 119.567 119.567 120.539 -0.972 17889 1118 1 13 . 1 1 25 25 PHE HA H 25 4.366 4.366 3.936 0.430 17889 1119 1 13 . 1 1 25 25 PHE H H 25 7.776 7.776 7.412 0.364 17889 1120 1 13 . 1 1 26 26 GLN N N 26 120.553 120.553 114.947 5.606 17889 1121 1 13 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.350 -0.218 17889 1122 1 13 . 1 1 26 26 GLN H H 26 7.928 7.928 8.090 -0.162 17889 1123 1 13 . 1 1 27 27 ARG N N 27 121.580 121.580 118.929 2.651 17889 1124 1 13 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.163 0.020 17889 1125 1 13 . 1 1 27 27 ARG H H 27 8.027 8.027 7.878 0.149 17889 1126 1 13 . 1 1 28 28 LYS N N 28 123.672 123.672 126.633 -2.961 17889 1127 1 13 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.737 -0.266 17889 1128 1 13 . 1 1 28 28 LYS H H 28 8.158 8.158 8.091 0.067 17889 1129 1 13 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.263 0.035 17889 1130 1 13 . 1 1 30 30 LYS N N 30 121.864 121.864 117.362 4.502 17889 1131 1 13 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.459 -0.264 17889 1132 1 13 . 1 1 30 30 LYS H H 30 8.307 8.307 7.883 0.424 17889 1133 1 13 . 1 1 31 31 LEU N N 31 124.171 124.171 120.679 3.492 17889 1134 1 13 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.266 0.104 17889 1135 1 13 . 1 1 31 31 LEU H H 31 8.276 8.276 8.268 0.008 17889 1136 1 13 . 1 1 32 32 THR N N 32 119.714 119.714 111.432 8.282 17889 1137 1 13 . 1 1 32 32 THR HA H 32 4.378 4.378 4.422 -0.044 17889 1138 1 13 . 1 1 32 32 THR H H 32 7.952 7.952 8.062 -0.110 17889 1139 1 13 . 1 1 33 33 GLU N N 33 121.732 121.732 123.136 -1.404 17889 1140 1 13 . 1 1 33 33 GLU HA H 33 4.170 4.170 3.889 0.281 17889 1141 1 13 . 1 1 33 33 GLU H H 33 7.865 7.865 9.030 -1.165 17889 1142 1 13 . 1 1 34 34 ALA N N 34 127.078 127.078 120.871 6.207 17889 1143 1 13 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.155 0.345 17889 1144 1 13 . 1 1 34 34 ALA H H 34 8.215 8.215 7.786 0.429 17889 1145 1 14 . 1 1 2 2 HIS N N 2 121.309 121.309 120.199 1.110 17889 1146 1 14 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.642 0.011 17889 1147 1 14 . 1 1 2 2 HIS H H 2 8.959 8.959 8.563 0.396 17889 1148 1 14 . 1 1 3 3 LYS N N 3 123.963 123.963 122.874 1.089 17889 1149 1 14 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.299 -0.104 17889 1150 1 14 . 1 1 3 3 LYS H H 3 8.533 8.533 8.159 0.374 17889 1151 1 14 . 1 1 4 4 HIS N N 4 120.657 120.657 115.711 4.946 17889 1152 1 14 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.262 0.344 17889 1153 1 14 . 1 1 4 4 HIS H H 4 8.690 8.690 8.269 0.421 17889 1154 1 14 . 1 1 5 5 SER N N 5 117.522 117.522 112.271 5.251 17889 1155 1 14 . 1 1 5 5 SER HA H 5 4.347 4.347 4.568 -0.221 17889 1156 1 14 . 1 1 5 5 SER H H 5 8.375 8.375 7.850 0.525 17889 1157 1 14 . 1 1 6 6 ASP N N 6 122.035 122.035 120.902 1.133 17889 1158 1 14 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.442 0.127 17889 1159 1 14 . 1 1 6 6 ASP H H 6 8.405 8.405 8.550 -0.145 17889 1160 1 14 . 1 1 7 7 GLU N N 7 120.246 120.246 118.420 1.826 17889 1161 1 14 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.316 -0.043 17889 1162 1 14 . 1 1 7 7 GLU H H 7 8.237 8.237 8.131 0.106 17889 1163 1 14 . 1 1 8 8 SER N N 8 117.720 117.720 114.914 2.806 17889 1164 1 14 . 1 1 8 8 SER HA H 8 4.398 4.398 4.671 -0.273 17889 1165 1 14 . 1 1 8 8 SER H H 8 8.193 8.193 8.351 -0.158 17889 1166 1 14 . 1 1 9 9 THR N N 9 115.050 115.050 118.488 -3.438 17889 1167 1 14 . 1 1 9 9 THR HA H 9 4.226 4.226 4.095 0.131 17889 1168 1 14 . 1 1 9 9 THR H H 9 8.051 8.051 7.798 0.253 17889 1169 1 14 . 1 1 10 10 SER N N 10 116.587 116.587 114.709 1.878 17889 1170 1 14 . 1 1 10 10 SER HA H 10 4.341 4.341 3.856 0.485 17889 1171 1 14 . 1 1 10 10 SER H H 10 8.276 8.276 8.781 -0.505 17889 1172 1 14 . 1 1 14 14 GLU N N 14 121.529 121.529 120.469 1.060 17889 1173 1 14 . 1 1 14 14 GLU HA H 14 4.190 4.190 3.940 0.250 17889 1174 1 14 . 1 1 14 14 GLU H H 14 8.117 8.117 8.370 -0.253 17889 1175 1 14 . 1 1 15 15 SER N N 15 116.705 116.705 112.547 4.158 17889 1176 1 14 . 1 1 15 15 SER HA H 15 4.331 4.331 4.451 -0.120 17889 1177 1 14 . 1 1 15 15 SER H H 15 8.114 8.114 7.222 0.892 17889 1178 1 14 . 1 1 16 16 ILE N N 16 122.303 122.303 122.103 0.200 17889 1179 1 14 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.797 0.264 17889 1180 1 14 . 1 1 16 16 ILE H H 16 7.981 7.981 8.390 -0.409 17889 1181 1 14 . 1 1 17 17 ALA N N 17 127.099 127.099 122.400 4.699 17889 1182 1 14 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.123 0.060 17889 1183 1 14 . 1 1 17 17 ALA H H 17 8.161 8.161 7.684 0.477 17889 1184 1 14 . 1 1 18 18 ASP N N 18 118.740 118.740 115.157 3.583 17889 1185 1 14 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.222 0.293 17889 1186 1 14 . 1 1 18 18 ASP H H 18 8.134 8.134 8.971 -0.837 17889 1187 1 14 . 1 1 19 19 ASN N N 19 118.913 118.913 111.067 7.846 17889 1188 1 14 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.721 -0.156 17889 1189 1 14 . 1 1 19 19 ASN H H 19 8.189 8.189 8.107 0.082 17889 1190 1 14 . 1 1 20 20 ASN N N 20 118.703 118.703 118.102 0.601 17889 1191 1 14 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.961 -0.368 17889 1192 1 14 . 1 1 20 20 ASN H H 20 8.290 8.290 8.117 0.173 17889 1193 1 14 . 1 1 21 21 ASP N N 21 119.859 119.859 120.994 -1.135 17889 1194 1 14 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.747 -0.199 17889 1195 1 14 . 1 1 21 21 ASP H H 21 8.206 8.206 8.830 -0.624 17889 1196 1 14 . 1 1 22 22 ASP N N 22 120.431 120.431 117.328 3.103 17889 1197 1 14 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.529 0.021 17889 1198 1 14 . 1 1 22 22 ASP H H 22 8.294 8.294 8.516 -0.222 17889 1199 1 14 . 1 1 23 23 SER N N 23 115.864 115.864 109.616 6.248 17889 1200 1 14 . 1 1 23 23 SER HA H 23 4.213 4.213 4.679 -0.466 17889 1201 1 14 . 1 1 23 23 SER H H 23 8.186 8.186 8.121 0.065 17889 1202 1 14 . 1 1 24 24 TYR N N 24 121.678 121.678 122.198 -0.520 17889 1203 1 14 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.639 -0.369 17889 1204 1 14 . 1 1 24 24 TYR H H 24 7.955 7.955 7.844 0.111 17889 1205 1 14 . 1 1 25 25 PHE N N 25 119.567 119.567 118.755 0.812 17889 1206 1 14 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.556 -0.190 17889 1207 1 14 . 1 1 25 25 PHE H H 25 7.776 7.776 7.846 -0.070 17889 1208 1 14 . 1 1 26 26 GLN N N 26 120.553 120.553 117.328 3.225 17889 1209 1 14 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.107 0.025 17889 1210 1 14 . 1 1 26 26 GLN H H 26 7.928 7.928 7.805 0.123 17889 1211 1 14 . 1 1 27 27 ARG N N 27 121.580 121.580 119.150 2.430 17889 1212 1 14 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.007 0.176 17889 1213 1 14 . 1 1 27 27 ARG H H 27 8.027 8.027 8.274 -0.247 17889 1214 1 14 . 1 1 28 28 LYS N N 28 123.672 123.672 126.359 -2.687 17889 1215 1 14 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.750 -0.279 17889 1216 1 14 . 1 1 28 28 LYS H H 28 8.158 8.158 8.490 -0.332 17889 1217 1 14 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.342 -0.044 17889 1218 1 14 . 1 1 30 30 LYS N N 30 121.864 121.864 118.523 3.341 17889 1219 1 14 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.262 -0.067 17889 1220 1 14 . 1 1 30 30 LYS H H 30 8.307 8.307 8.286 0.021 17889 1221 1 14 . 1 1 31 31 LEU N N 31 124.171 124.171 124.028 0.143 17889 1222 1 14 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.584 -0.214 17889 1223 1 14 . 1 1 31 31 LEU H H 31 8.276 8.276 8.447 -0.171 17889 1224 1 14 . 1 1 32 32 THR N N 32 119.714 119.714 110.978 8.736 17889 1225 1 14 . 1 1 32 32 THR HA H 32 4.378 4.378 4.384 -0.006 17889 1226 1 14 . 1 1 32 32 THR H H 32 7.952 7.952 8.035 -0.083 17889 1227 1 14 . 1 1 33 33 GLU N N 33 121.732 121.732 120.124 1.608 17889 1228 1 14 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.301 -0.131 17889 1229 1 14 . 1 1 33 33 GLU H H 33 7.865 7.865 8.311 -0.446 17889 1230 1 14 . 1 1 34 34 ALA N N 34 127.078 127.078 122.811 4.267 17889 1231 1 14 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.709 -0.209 17889 1232 1 14 . 1 1 34 34 ALA H H 34 8.215 8.215 7.503 0.712 17889 1233 1 15 . 1 1 2 2 HIS N N 2 121.309 121.309 121.079 0.230 17889 1234 1 15 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.722 -0.069 17889 1235 1 15 . 1 1 2 2 HIS H H 2 8.959 8.959 8.321 0.638 17889 1236 1 15 . 1 1 3 3 LYS N N 3 123.963 123.963 124.664 -0.701 17889 1237 1 15 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.340 -0.145 17889 1238 1 15 . 1 1 3 3 LYS H H 3 8.533 8.533 8.528 0.005 17889 1239 1 15 . 1 1 4 4 HIS N N 4 120.657 120.657 118.188 2.469 17889 1240 1 15 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.564 0.042 17889 1241 1 15 . 1 1 4 4 HIS H H 4 8.690 8.690 7.610 1.080 17889 1242 1 15 . 1 1 5 5 SER N N 5 117.522 117.522 120.012 -2.490 17889 1243 1 15 . 1 1 5 5 SER HA H 5 4.347 4.347 4.508 -0.161 17889 1244 1 15 . 1 1 5 5 SER H H 5 8.375 8.375 8.265 0.110 17889 1245 1 15 . 1 1 6 6 ASP N N 6 122.035 122.035 118.931 3.104 17889 1246 1 15 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.626 -0.057 17889 1247 1 15 . 1 1 6 6 ASP H H 6 8.405 8.405 7.900 0.505 17889 1248 1 15 . 1 1 7 7 GLU N N 7 120.246 120.246 118.964 1.282 17889 1249 1 15 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.336 -0.063 17889 1250 1 15 . 1 1 7 7 GLU H H 7 8.237 8.237 8.454 -0.217 17889 1251 1 15 . 1 1 8 8 SER N N 8 117.720 117.720 114.924 2.796 17889 1252 1 15 . 1 1 8 8 SER HA H 8 4.398 4.398 4.627 -0.229 17889 1253 1 15 . 1 1 8 8 SER H H 8 8.193 8.193 8.579 -0.386 17889 1254 1 15 . 1 1 9 9 THR N N 9 115.050 115.050 113.364 1.686 17889 1255 1 15 . 1 1 9 9 THR HA H 9 4.226 4.226 3.943 0.283 17889 1256 1 15 . 1 1 9 9 THR H H 9 8.051 8.051 8.460 -0.409 17889 1257 1 15 . 1 1 10 10 SER N N 10 116.587 116.587 112.096 4.491 17889 1258 1 15 . 1 1 10 10 SER HA H 10 4.341 4.341 4.469 -0.128 17889 1259 1 15 . 1 1 10 10 SER H H 10 8.276 8.276 7.759 0.517 17889 1260 1 15 . 1 1 14 14 GLU N N 14 121.529 121.529 122.850 -1.321 17889 1261 1 15 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.323 -0.133 17889 1262 1 15 . 1 1 14 14 GLU H H 14 8.117 8.117 8.381 -0.264 17889 1263 1 15 . 1 1 15 15 SER N N 15 116.705 116.705 116.240 0.465 17889 1264 1 15 . 1 1 15 15 SER HA H 15 4.331 4.331 4.377 -0.046 17889 1265 1 15 . 1 1 15 15 SER H H 15 8.114 8.114 8.059 0.055 17889 1266 1 15 . 1 1 16 16 ILE N N 16 122.303 122.303 123.597 -1.294 17889 1267 1 15 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.216 -0.155 17889 1268 1 15 . 1 1 16 16 ILE H H 16 7.981 7.981 8.843 -0.862 17889 1269 1 15 . 1 1 17 17 ALA N N 17 127.099 127.099 123.768 3.331 17889 1270 1 15 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.432 -0.249 17889 1271 1 15 . 1 1 17 17 ALA H H 17 8.161 8.161 7.597 0.564 17889 1272 1 15 . 1 1 18 18 ASP N N 18 118.740 118.740 117.932 0.808 17889 1273 1 15 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.892 -0.377 17889 1274 1 15 . 1 1 18 18 ASP H H 18 8.134 8.134 8.607 -0.473 17889 1275 1 15 . 1 1 19 19 ASN N N 19 118.913 118.913 118.182 0.731 17889 1276 1 15 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.710 -0.145 17889 1277 1 15 . 1 1 19 19 ASN H H 19 8.189 8.189 8.184 0.005 17889 1278 1 15 . 1 1 20 20 ASN N N 20 118.703 118.703 117.771 0.932 17889 1279 1 15 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.750 -0.157 17889 1280 1 15 . 1 1 20 20 ASN H H 20 8.290 8.290 8.272 0.018 17889 1281 1 15 . 1 1 21 21 ASP N N 21 119.859 119.859 118.124 1.735 17889 1282 1 15 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.648 -0.100 17889 1283 1 15 . 1 1 21 21 ASP H H 21 8.206 8.206 8.933 -0.727 17889 1284 1 15 . 1 1 22 22 ASP N N 22 120.431 120.431 117.473 2.958 17889 1285 1 15 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.414 0.136 17889 1286 1 15 . 1 1 22 22 ASP H H 22 8.294 8.294 8.538 -0.244 17889 1287 1 15 . 1 1 23 23 SER N N 23 115.864 115.864 112.434 3.430 17889 1288 1 15 . 1 1 23 23 SER HA H 23 4.213 4.213 4.625 -0.412 17889 1289 1 15 . 1 1 23 23 SER H H 23 8.186 8.186 7.928 0.258 17889 1290 1 15 . 1 1 24 24 TYR N N 24 121.678 121.678 123.803 -2.125 17889 1291 1 15 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.252 0.018 17889 1292 1 15 . 1 1 24 24 TYR H H 24 7.955 7.955 8.632 -0.677 17889 1293 1 15 . 1 1 25 25 PHE N N 25 119.567 119.567 114.819 4.748 17889 1294 1 15 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.482 -0.116 17889 1295 1 15 . 1 1 25 25 PHE H H 25 7.776 7.776 7.402 0.374 17889 1296 1 15 . 1 1 26 26 GLN N N 26 120.553 120.553 118.353 2.200 17889 1297 1 15 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.835 0.297 17889 1298 1 15 . 1 1 26 26 GLN H H 26 7.928 7.928 8.199 -0.271 17889 1299 1 15 . 1 1 27 27 ARG N N 27 121.580 121.580 116.250 5.330 17889 1300 1 15 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.104 0.079 17889 1301 1 15 . 1 1 27 27 ARG H H 27 8.027 8.027 8.141 -0.114 17889 1302 1 15 . 1 1 28 28 LYS N N 28 123.672 123.672 123.235 0.437 17889 1303 1 15 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.704 -0.233 17889 1304 1 15 . 1 1 28 28 LYS H H 28 8.158 8.158 8.130 0.028 17889 1305 1 15 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.511 -0.213 17889 1306 1 15 . 1 1 30 30 LYS N N 30 121.864 121.864 116.313 5.551 17889 1307 1 15 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.146 0.049 17889 1308 1 15 . 1 1 30 30 LYS H H 30 8.307 8.307 8.128 0.179 17889 1309 1 15 . 1 1 31 31 LEU N N 31 124.171 124.171 120.660 3.511 17889 1310 1 15 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.447 -0.077 17889 1311 1 15 . 1 1 31 31 LEU H H 31 8.276 8.276 8.058 0.218 17889 1312 1 15 . 1 1 32 32 THR N N 32 119.714 119.714 112.519 7.195 17889 1313 1 15 . 1 1 32 32 THR HA H 32 4.378 4.378 4.318 0.060 17889 1314 1 15 . 1 1 32 32 THR H H 32 7.952 7.952 8.268 -0.316 17889 1315 1 15 . 1 1 33 33 GLU N N 33 121.732 121.732 120.629 1.103 17889 1316 1 15 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.316 -0.146 17889 1317 1 15 . 1 1 33 33 GLU H H 33 7.865 7.865 8.207 -0.342 17889 1318 1 15 . 1 1 34 34 ALA N N 34 127.078 127.078 124.960 2.118 17889 1319 1 15 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.470 0.030 17889 1320 1 15 . 1 1 34 34 ALA H H 34 8.215 8.215 7.784 0.431 17889 1321 1 16 . 1 1 2 2 HIS N N 2 121.309 121.309 119.161 2.148 17889 1322 1 16 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.369 0.284 17889 1323 1 16 . 1 1 2 2 HIS H H 2 8.959 8.959 8.236 0.723 17889 1324 1 16 . 1 1 3 3 LYS N N 3 123.963 123.963 120.879 3.084 17889 1325 1 16 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.668 -0.473 17889 1326 1 16 . 1 1 3 3 LYS H H 3 8.533 8.533 8.258 0.275 17889 1327 1 16 . 1 1 4 4 HIS N N 4 120.657 120.657 119.926 0.731 17889 1328 1 16 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.535 0.071 17889 1329 1 16 . 1 1 4 4 HIS H H 4 8.690 8.690 8.748 -0.058 17889 1330 1 16 . 1 1 5 5 SER N N 5 117.522 117.522 112.595 4.927 17889 1331 1 16 . 1 1 5 5 SER HA H 5 4.347 4.347 4.388 -0.041 17889 1332 1 16 . 1 1 5 5 SER H H 5 8.375 8.375 8.312 0.063 17889 1333 1 16 . 1 1 6 6 ASP N N 6 122.035 122.035 120.859 1.176 17889 1334 1 16 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.811 -0.242 17889 1335 1 16 . 1 1 6 6 ASP H H 6 8.405 8.405 8.209 0.196 17889 1336 1 16 . 1 1 7 7 GLU N N 7 120.246 120.246 119.378 0.868 17889 1337 1 16 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.264 0.009 17889 1338 1 16 . 1 1 7 7 GLU H H 7 8.237 8.237 8.758 -0.521 17889 1339 1 16 . 1 1 8 8 SER N N 8 117.720 117.720 114.861 2.859 17889 1340 1 16 . 1 1 8 8 SER HA H 8 4.398 4.398 4.583 -0.185 17889 1341 1 16 . 1 1 8 8 SER H H 8 8.193 8.193 8.315 -0.122 17889 1342 1 16 . 1 1 9 9 THR N N 9 115.050 115.050 114.764 0.286 17889 1343 1 16 . 1 1 9 9 THR HA H 9 4.226 4.226 4.024 0.202 17889 1344 1 16 . 1 1 9 9 THR H H 9 8.051 8.051 8.433 -0.382 17889 1345 1 16 . 1 1 10 10 SER N N 10 116.587 116.587 113.551 3.036 17889 1346 1 16 . 1 1 10 10 SER HA H 10 4.341 4.341 4.539 -0.198 17889 1347 1 16 . 1 1 10 10 SER H H 10 8.276 8.276 7.563 0.713 17889 1348 1 16 . 1 1 14 14 GLU N N 14 121.529 121.529 120.905 0.624 17889 1349 1 16 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.170 0.020 17889 1350 1 16 . 1 1 14 14 GLU H H 14 8.117 8.117 8.895 -0.778 17889 1351 1 16 . 1 1 15 15 SER N N 15 116.705 116.705 113.482 3.223 17889 1352 1 16 . 1 1 15 15 SER HA H 15 4.331 4.331 4.571 -0.240 17889 1353 1 16 . 1 1 15 15 SER H H 15 8.114 8.114 7.750 0.364 17889 1354 1 16 . 1 1 16 16 ILE N N 16 122.303 122.303 122.643 -0.340 17889 1355 1 16 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.949 0.112 17889 1356 1 16 . 1 1 16 16 ILE H H 16 7.981 7.981 8.683 -0.702 17889 1357 1 16 . 1 1 17 17 ALA N N 17 127.099 127.099 121.904 5.195 17889 1358 1 16 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.117 0.066 17889 1359 1 16 . 1 1 17 17 ALA H H 17 8.161 8.161 7.935 0.226 17889 1360 1 16 . 1 1 18 18 ASP N N 18 118.740 118.740 115.334 3.406 17889 1361 1 16 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.236 0.279 17889 1362 1 16 . 1 1 18 18 ASP H H 18 8.134 8.134 8.936 -0.802 17889 1363 1 16 . 1 1 19 19 ASN N N 19 118.913 118.913 111.924 6.989 17889 1364 1 16 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.737 -0.172 17889 1365 1 16 . 1 1 19 19 ASN H H 19 8.189 8.189 8.080 0.109 17889 1366 1 16 . 1 1 20 20 ASN N N 20 118.703 118.703 118.298 0.405 17889 1367 1 16 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.973 -0.380 17889 1368 1 16 . 1 1 20 20 ASN H H 20 8.290 8.290 8.150 0.140 17889 1369 1 16 . 1 1 21 21 ASP N N 21 119.859 119.859 119.543 0.316 17889 1370 1 16 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.712 -0.164 17889 1371 1 16 . 1 1 21 21 ASP H H 21 8.206 8.206 8.884 -0.678 17889 1372 1 16 . 1 1 22 22 ASP N N 22 120.431 120.431 116.566 3.865 17889 1373 1 16 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.533 0.017 17889 1374 1 16 . 1 1 22 22 ASP H H 22 8.294 8.294 8.531 -0.237 17889 1375 1 16 . 1 1 23 23 SER N N 23 115.864 115.864 110.795 5.069 17889 1376 1 16 . 1 1 23 23 SER HA H 23 4.213 4.213 4.539 -0.326 17889 1377 1 16 . 1 1 23 23 SER H H 23 8.186 8.186 7.832 0.354 17889 1378 1 16 . 1 1 24 24 TYR N N 24 121.678 121.678 123.865 -2.187 17889 1379 1 16 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.266 0.004 17889 1380 1 16 . 1 1 24 24 TYR H H 24 7.955 7.955 8.561 -0.606 17889 1381 1 16 . 1 1 25 25 PHE N N 25 119.567 119.567 117.820 1.747 17889 1382 1 16 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.387 -0.021 17889 1383 1 16 . 1 1 25 25 PHE H H 25 7.776 7.776 7.383 0.393 17889 1384 1 16 . 1 1 26 26 GLN N N 26 120.553 120.553 118.951 1.602 17889 1385 1 16 . 1 1 26 26 GLN HA H 26 4.132 4.132 3.661 0.471 17889 1386 1 16 . 1 1 26 26 GLN H H 26 7.928 7.928 7.887 0.041 17889 1387 1 16 . 1 1 27 27 ARG N N 27 121.580 121.580 116.398 5.182 17889 1388 1 16 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.157 0.026 17889 1389 1 16 . 1 1 27 27 ARG H H 27 8.027 8.027 7.977 0.050 17889 1390 1 16 . 1 1 28 28 LYS N N 28 123.672 123.672 125.309 -1.637 17889 1391 1 16 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.736 -0.265 17889 1392 1 16 . 1 1 28 28 LYS H H 28 8.158 8.158 8.261 -0.103 17889 1393 1 16 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.494 -0.196 17889 1394 1 16 . 1 1 30 30 LYS N N 30 121.864 121.864 115.427 6.437 17889 1395 1 16 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.012 0.183 17889 1396 1 16 . 1 1 30 30 LYS H H 30 8.307 8.307 8.554 -0.247 17889 1397 1 16 . 1 1 31 31 LEU N N 31 124.171 124.171 116.836 7.335 17889 1398 1 16 . 1 1 31 31 LEU HA H 31 4.370 4.370 3.850 0.520 17889 1399 1 16 . 1 1 31 31 LEU H H 31 8.276 8.276 7.537 0.739 17889 1400 1 16 . 1 1 32 32 THR N N 32 119.714 119.714 110.943 8.771 17889 1401 1 16 . 1 1 32 32 THR HA H 32 4.378 4.378 3.889 0.489 17889 1402 1 16 . 1 1 32 32 THR H H 32 7.952 7.952 8.451 -0.499 17889 1403 1 16 . 1 1 33 33 GLU N N 33 121.732 121.732 120.071 1.661 17889 1404 1 16 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.327 -0.157 17889 1405 1 16 . 1 1 33 33 GLU H H 33 7.865 7.865 8.494 -0.629 17889 1406 1 16 . 1 1 34 34 ALA N N 34 127.078 127.078 124.724 2.354 17889 1407 1 16 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.176 0.324 17889 1408 1 16 . 1 1 34 34 ALA H H 34 8.215 8.215 8.263 -0.048 17889 1409 1 17 . 1 1 2 2 HIS N N 2 121.309 121.309 117.167 4.142 17889 1410 1 17 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.452 0.201 17889 1411 1 17 . 1 1 2 2 HIS H H 2 8.959 8.959 8.043 0.916 17889 1412 1 17 . 1 1 3 3 LYS N N 3 123.963 123.963 119.454 4.509 17889 1413 1 17 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.273 -0.078 17889 1414 1 17 . 1 1 3 3 LYS H H 3 8.533 8.533 8.137 0.396 17889 1415 1 17 . 1 1 4 4 HIS N N 4 120.657 120.657 116.125 4.532 17889 1416 1 17 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.703 -0.097 17889 1417 1 17 . 1 1 4 4 HIS H H 4 8.690 8.690 8.215 0.475 17889 1418 1 17 . 1 1 5 5 SER N N 5 117.522 117.522 115.152 2.370 17889 1419 1 17 . 1 1 5 5 SER HA H 5 4.347 4.347 4.528 -0.181 17889 1420 1 17 . 1 1 5 5 SER H H 5 8.375 8.375 7.815 0.560 17889 1421 1 17 . 1 1 6 6 ASP N N 6 122.035 122.035 120.408 1.627 17889 1422 1 17 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.831 -0.262 17889 1423 1 17 . 1 1 6 6 ASP H H 6 8.405 8.405 7.755 0.650 17889 1424 1 17 . 1 1 7 7 GLU N N 7 120.246 120.246 123.996 -3.750 17889 1425 1 17 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.432 -0.159 17889 1426 1 17 . 1 1 7 7 GLU H H 7 8.237 8.237 8.481 -0.244 17889 1427 1 17 . 1 1 8 8 SER N N 8 117.720 117.720 116.054 1.666 17889 1428 1 17 . 1 1 8 8 SER HA H 8 4.398 4.398 4.709 -0.311 17889 1429 1 17 . 1 1 8 8 SER H H 8 8.193 8.193 8.495 -0.302 17889 1430 1 17 . 1 1 9 9 THR N N 9 115.050 115.050 117.324 -2.274 17889 1431 1 17 . 1 1 9 9 THR HA H 9 4.226 4.226 4.059 0.167 17889 1432 1 17 . 1 1 9 9 THR H H 9 8.051 8.051 7.974 0.077 17889 1433 1 17 . 1 1 10 10 SER N N 10 116.587 116.587 117.444 -0.857 17889 1434 1 17 . 1 1 10 10 SER HA H 10 4.341 4.341 4.056 0.285 17889 1435 1 17 . 1 1 10 10 SER H H 10 8.276 8.276 8.818 -0.542 17889 1436 1 17 . 1 1 14 14 GLU N N 14 121.529 121.529 120.565 0.964 17889 1437 1 17 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.107 0.083 17889 1438 1 17 . 1 1 14 14 GLU H H 14 8.117 8.117 8.813 -0.696 17889 1439 1 17 . 1 1 15 15 SER N N 15 116.705 116.705 112.376 4.329 17889 1440 1 17 . 1 1 15 15 SER HA H 15 4.331 4.331 4.376 -0.045 17889 1441 1 17 . 1 1 15 15 SER H H 15 8.114 8.114 7.849 0.265 17889 1442 1 17 . 1 1 16 16 ILE N N 16 122.303 122.303 122.276 0.027 17889 1443 1 17 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.326 -0.265 17889 1444 1 17 . 1 1 16 16 ILE H H 16 7.981 7.981 8.306 -0.325 17889 1445 1 17 . 1 1 17 17 ALA N N 17 127.099 127.099 122.851 4.248 17889 1446 1 17 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.541 -0.358 17889 1447 1 17 . 1 1 17 17 ALA H H 17 8.161 8.161 7.434 0.727 17889 1448 1 17 . 1 1 18 18 ASP N N 18 118.740 118.740 117.862 0.878 17889 1449 1 17 . 1 1 18 18 ASP HA H 18 4.515 4.515 5.037 -0.522 17889 1450 1 17 . 1 1 18 18 ASP H H 18 8.134 8.134 8.415 -0.281 17889 1451 1 17 . 1 1 19 19 ASN N N 19 118.913 118.913 113.858 5.055 17889 1452 1 17 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.767 -0.202 17889 1453 1 17 . 1 1 19 19 ASN H H 19 8.189 8.189 8.136 0.053 17889 1454 1 17 . 1 1 20 20 ASN N N 20 118.703 118.703 118.562 0.141 17889 1455 1 17 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.746 -0.153 17889 1456 1 17 . 1 1 20 20 ASN H H 20 8.290 8.290 8.164 0.126 17889 1457 1 17 . 1 1 21 21 ASP N N 21 119.859 119.859 117.913 1.946 17889 1458 1 17 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.510 0.038 17889 1459 1 17 . 1 1 21 21 ASP H H 21 8.206 8.206 8.202 0.004 17889 1460 1 17 . 1 1 22 22 ASP N N 22 120.431 120.431 119.358 1.073 17889 1461 1 17 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.578 -0.028 17889 1462 1 17 . 1 1 22 22 ASP H H 22 8.294 8.294 8.536 -0.242 17889 1463 1 17 . 1 1 23 23 SER N N 23 115.864 115.864 114.443 1.421 17889 1464 1 17 . 1 1 23 23 SER HA H 23 4.213 4.213 4.390 -0.177 17889 1465 1 17 . 1 1 23 23 SER H H 23 8.186 8.186 8.242 -0.056 17889 1466 1 17 . 1 1 24 24 TYR N N 24 121.678 121.678 114.531 7.147 17889 1467 1 17 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.768 -0.498 17889 1468 1 17 . 1 1 24 24 TYR H H 24 7.955 7.955 7.357 0.598 17889 1469 1 17 . 1 1 25 25 PHE N N 25 119.567 119.567 120.354 -0.787 17889 1470 1 17 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.390 -0.024 17889 1471 1 17 . 1 1 25 25 PHE H H 25 7.776 7.776 7.457 0.319 17889 1472 1 17 . 1 1 26 26 GLN N N 26 120.553 120.553 115.264 5.289 17889 1473 1 17 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.491 -0.359 17889 1474 1 17 . 1 1 26 26 GLN H H 26 7.928 7.928 7.962 -0.034 17889 1475 1 17 . 1 1 27 27 ARG N N 27 121.580 121.580 119.547 2.033 17889 1476 1 17 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.199 -0.016 17889 1477 1 17 . 1 1 27 27 ARG H H 27 8.027 8.027 7.880 0.147 17889 1478 1 17 . 1 1 28 28 LYS N N 28 123.672 123.672 125.799 -2.127 17889 1479 1 17 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.787 -0.316 17889 1480 1 17 . 1 1 28 28 LYS H H 28 8.158 8.158 8.017 0.141 17889 1481 1 17 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.279 0.019 17889 1482 1 17 . 1 1 30 30 LYS N N 30 121.864 121.864 114.466 7.398 17889 1483 1 17 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.371 -0.176 17889 1484 1 17 . 1 1 30 30 LYS H H 30 8.307 8.307 7.543 0.764 17889 1485 1 17 . 1 1 31 31 LEU N N 31 124.171 124.171 119.903 4.268 17889 1486 1 17 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.505 -0.135 17889 1487 1 17 . 1 1 31 31 LEU H H 31 8.276 8.276 8.329 -0.053 17889 1488 1 17 . 1 1 32 32 THR N N 32 119.714 119.714 117.848 1.866 17889 1489 1 17 . 1 1 32 32 THR HA H 32 4.378 4.378 4.441 -0.063 17889 1490 1 17 . 1 1 32 32 THR H H 32 7.952 7.952 7.688 0.264 17889 1491 1 17 . 1 1 33 33 GLU N N 33 121.732 121.732 124.978 -3.246 17889 1492 1 17 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.561 -0.391 17889 1493 1 17 . 1 1 33 33 GLU H H 33 7.865 7.865 8.503 -0.638 17889 1494 1 17 . 1 1 34 34 ALA N N 34 127.078 127.078 123.512 3.566 17889 1495 1 17 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.918 -0.418 17889 1496 1 17 . 1 1 34 34 ALA H H 34 8.215 8.215 8.461 -0.246 17889 1497 1 18 . 1 1 2 2 HIS N N 2 121.309 121.309 116.497 4.812 17889 1498 1 18 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.840 -0.187 17889 1499 1 18 . 1 1 2 2 HIS H H 2 8.959 8.959 8.040 0.919 17889 1500 1 18 . 1 1 3 3 LYS N N 3 123.963 123.963 120.222 3.741 17889 1501 1 18 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.354 -0.159 17889 1502 1 18 . 1 1 3 3 LYS H H 3 8.533 8.533 8.436 0.097 17889 1503 1 18 . 1 1 4 4 HIS N N 4 120.657 120.657 119.649 1.008 17889 1504 1 18 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.704 -0.098 17889 1505 1 18 . 1 1 4 4 HIS H H 4 8.690 8.690 7.918 0.772 17889 1506 1 18 . 1 1 5 5 SER N N 5 117.522 117.522 119.181 -1.659 17889 1507 1 18 . 1 1 5 5 SER HA H 5 4.347 4.347 4.603 -0.256 17889 1508 1 18 . 1 1 5 5 SER H H 5 8.375 8.375 8.486 -0.111 17889 1509 1 18 . 1 1 6 6 ASP N N 6 122.035 122.035 125.840 -3.805 17889 1510 1 18 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.727 -0.158 17889 1511 1 18 . 1 1 6 6 ASP H H 6 8.405 8.405 8.792 -0.387 17889 1512 1 18 . 1 1 7 7 GLU N N 7 120.246 120.246 120.034 0.212 17889 1513 1 18 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.364 -0.091 17889 1514 1 18 . 1 1 7 7 GLU H H 7 8.237 8.237 8.121 0.116 17889 1515 1 18 . 1 1 8 8 SER N N 8 117.720 117.720 118.517 -0.797 17889 1516 1 18 . 1 1 8 8 SER HA H 8 4.398 4.398 4.090 0.308 17889 1517 1 18 . 1 1 8 8 SER H H 8 8.193 8.193 8.804 -0.611 17889 1518 1 18 . 1 1 9 9 THR N N 9 115.050 115.050 113.107 1.943 17889 1519 1 18 . 1 1 9 9 THR HA H 9 4.226 4.226 3.984 0.242 17889 1520 1 18 . 1 1 9 9 THR H H 9 8.051 8.051 8.416 -0.365 17889 1521 1 18 . 1 1 10 10 SER N N 10 116.587 116.587 111.522 5.065 17889 1522 1 18 . 1 1 10 10 SER HA H 10 4.341 4.341 4.401 -0.060 17889 1523 1 18 . 1 1 10 10 SER H H 10 8.276 8.276 8.002 0.274 17889 1524 1 18 . 1 1 14 14 GLU N N 14 121.529 121.529 121.784 -0.255 17889 1525 1 18 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.083 0.107 17889 1526 1 18 . 1 1 14 14 GLU H H 14 8.117 8.117 8.461 -0.344 17889 1527 1 18 . 1 1 15 15 SER N N 15 116.705 116.705 114.247 2.458 17889 1528 1 18 . 1 1 15 15 SER HA H 15 4.331 4.331 4.402 -0.071 17889 1529 1 18 . 1 1 15 15 SER H H 15 8.114 8.114 7.993 0.121 17889 1530 1 18 . 1 1 16 16 ILE N N 16 122.303 122.303 122.214 0.089 17889 1531 1 18 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.080 -0.019 17889 1532 1 18 . 1 1 16 16 ILE H H 16 7.981 7.981 8.539 -0.558 17889 1533 1 18 . 1 1 17 17 ALA N N 17 127.099 127.099 122.217 4.882 17889 1534 1 18 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.555 -0.372 17889 1535 1 18 . 1 1 17 17 ALA H H 17 8.161 8.161 7.957 0.204 17889 1536 1 18 . 1 1 18 18 ASP N N 18 118.740 118.740 116.496 2.244 17889 1537 1 18 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.949 -0.434 17889 1538 1 18 . 1 1 18 18 ASP H H 18 8.134 8.134 8.414 -0.280 17889 1539 1 18 . 1 1 19 19 ASN N N 19 118.913 118.913 116.252 2.661 17889 1540 1 18 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.749 -0.184 17889 1541 1 18 . 1 1 19 19 ASN H H 19 8.189 8.189 8.300 -0.111 17889 1542 1 18 . 1 1 20 20 ASN N N 20 118.703 118.703 117.164 1.539 17889 1543 1 18 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.866 -0.273 17889 1544 1 18 . 1 1 20 20 ASN H H 20 8.290 8.290 8.162 0.128 17889 1545 1 18 . 1 1 21 21 ASP N N 21 119.859 119.859 120.164 -0.305 17889 1546 1 18 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.820 -0.272 17889 1547 1 18 . 1 1 21 21 ASP H H 21 8.206 8.206 8.848 -0.642 17889 1548 1 18 . 1 1 22 22 ASP N N 22 120.431 120.431 118.328 2.103 17889 1549 1 18 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.667 -0.117 17889 1550 1 18 . 1 1 22 22 ASP H H 22 8.294 8.294 8.717 -0.423 17889 1551 1 18 . 1 1 23 23 SER N N 23 115.864 115.864 115.194 0.670 17889 1552 1 18 . 1 1 23 23 SER HA H 23 4.213 4.213 4.708 -0.495 17889 1553 1 18 . 1 1 23 23 SER H H 23 8.186 8.186 8.181 0.005 17889 1554 1 18 . 1 1 24 24 TYR N N 24 121.678 121.678 120.462 1.216 17889 1555 1 18 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.726 -0.456 17889 1556 1 18 . 1 1 24 24 TYR H H 24 7.955 7.955 8.310 -0.355 17889 1557 1 18 . 1 1 25 25 PHE N N 25 119.567 119.567 118.680 0.887 17889 1558 1 18 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.484 -0.118 17889 1559 1 18 . 1 1 25 25 PHE H H 25 7.776 7.776 7.440 0.336 17889 1560 1 18 . 1 1 26 26 GLN N N 26 120.553 120.553 115.986 4.567 17889 1561 1 18 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.451 -0.319 17889 1562 1 18 . 1 1 26 26 GLN H H 26 7.928 7.928 7.776 0.152 17889 1563 1 18 . 1 1 27 27 ARG N N 27 121.580 121.580 115.872 5.708 17889 1564 1 18 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.173 0.010 17889 1565 1 18 . 1 1 27 27 ARG H H 27 8.027 8.027 8.379 -0.352 17889 1566 1 18 . 1 1 28 28 LYS N N 28 123.672 123.672 121.103 2.569 17889 1567 1 18 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.826 -0.355 17889 1568 1 18 . 1 1 28 28 LYS H H 28 8.158 8.158 8.199 -0.041 17889 1569 1 18 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.360 -0.062 17889 1570 1 18 . 1 1 30 30 LYS N N 30 121.864 121.864 118.334 3.530 17889 1571 1 18 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.423 -0.228 17889 1572 1 18 . 1 1 30 30 LYS H H 30 8.307 8.307 7.890 0.417 17889 1573 1 18 . 1 1 31 31 LEU N N 31 124.171 124.171 120.311 3.860 17889 1574 1 18 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.485 -0.115 17889 1575 1 18 . 1 1 31 31 LEU H H 31 8.276 8.276 8.530 -0.254 17889 1576 1 18 . 1 1 32 32 THR N N 32 119.714 119.714 112.538 7.176 17889 1577 1 18 . 1 1 32 32 THR HA H 32 4.378 4.378 4.495 -0.117 17889 1578 1 18 . 1 1 32 32 THR H H 32 7.952 7.952 7.572 0.380 17889 1579 1 18 . 1 1 33 33 GLU N N 33 121.732 121.732 122.587 -0.855 17889 1580 1 18 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.292 -0.122 17889 1581 1 18 . 1 1 33 33 GLU H H 33 7.865 7.865 8.614 -0.749 17889 1582 1 18 . 1 1 34 34 ALA N N 34 127.078 127.078 127.434 -0.356 17889 1583 1 18 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.652 -0.152 17889 1584 1 18 . 1 1 34 34 ALA H H 34 8.215 8.215 8.468 -0.253 17889 1585 1 19 . 1 1 2 2 HIS N N 2 121.309 121.309 119.817 1.492 17889 1586 1 19 . 1 1 2 2 HIS HA H 2 4.653 4.653 5.073 -0.420 17889 1587 1 19 . 1 1 2 2 HIS H H 2 8.959 8.959 7.612 1.347 17889 1588 1 19 . 1 1 3 3 LYS N N 3 123.963 123.963 121.989 1.974 17889 1589 1 19 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.563 -0.368 17889 1590 1 19 . 1 1 3 3 LYS H H 3 8.533 8.533 8.844 -0.311 17889 1591 1 19 . 1 1 4 4 HIS N N 4 120.657 120.657 119.744 0.913 17889 1592 1 19 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.918 -0.312 17889 1593 1 19 . 1 1 4 4 HIS H H 4 8.690 8.690 8.909 -0.219 17889 1594 1 19 . 1 1 5 5 SER N N 5 117.522 117.522 122.959 -5.437 17889 1595 1 19 . 1 1 5 5 SER HA H 5 4.347 4.347 4.453 -0.106 17889 1596 1 19 . 1 1 5 5 SER H H 5 8.375 8.375 8.286 0.089 17889 1597 1 19 . 1 1 6 6 ASP N N 6 122.035 122.035 122.383 -0.348 17889 1598 1 19 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.399 0.170 17889 1599 1 19 . 1 1 6 6 ASP H H 6 8.405 8.405 8.439 -0.034 17889 1600 1 19 . 1 1 7 7 GLU N N 7 120.246 120.246 117.482 2.764 17889 1601 1 19 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.255 0.018 17889 1602 1 19 . 1 1 7 7 GLU H H 7 8.237 8.237 8.300 -0.063 17889 1603 1 19 . 1 1 8 8 SER N N 8 117.720 117.720 116.799 0.921 17889 1604 1 19 . 1 1 8 8 SER HA H 8 4.398 4.398 4.545 -0.147 17889 1605 1 19 . 1 1 8 8 SER H H 8 8.193 8.193 8.130 0.063 17889 1606 1 19 . 1 1 9 9 THR N N 9 115.050 115.050 112.659 2.391 17889 1607 1 19 . 1 1 9 9 THR HA H 9 4.226 4.226 4.024 0.202 17889 1608 1 19 . 1 1 9 9 THR H H 9 8.051 8.051 7.736 0.315 17889 1609 1 19 . 1 1 10 10 SER N N 10 116.587 116.587 116.830 -0.243 17889 1610 1 19 . 1 1 10 10 SER HA H 10 4.341 4.341 3.817 0.524 17889 1611 1 19 . 1 1 10 10 SER H H 10 8.276 8.276 8.815 -0.539 17889 1612 1 19 . 1 1 14 14 GLU N N 14 121.529 121.529 121.383 0.146 17889 1613 1 19 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.249 -0.059 17889 1614 1 19 . 1 1 14 14 GLU H H 14 8.117 8.117 8.736 -0.619 17889 1615 1 19 . 1 1 15 15 SER N N 15 116.705 116.705 114.286 2.419 17889 1616 1 19 . 1 1 15 15 SER HA H 15 4.331 4.331 4.235 0.096 17889 1617 1 19 . 1 1 15 15 SER H H 15 8.114 8.114 8.105 0.009 17889 1618 1 19 . 1 1 16 16 ILE N N 16 122.303 122.303 120.868 1.435 17889 1619 1 19 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.860 0.201 17889 1620 1 19 . 1 1 16 16 ILE H H 16 7.981 7.981 8.803 -0.822 17889 1621 1 19 . 1 1 17 17 ALA N N 17 127.099 127.099 121.923 5.176 17889 1622 1 19 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.270 -0.087 17889 1623 1 19 . 1 1 17 17 ALA H H 17 8.161 8.161 8.000 0.161 17889 1624 1 19 . 1 1 18 18 ASP N N 18 118.740 118.740 116.134 2.606 17889 1625 1 19 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.840 -0.325 17889 1626 1 19 . 1 1 18 18 ASP H H 18 8.134 8.134 8.369 -0.235 17889 1627 1 19 . 1 1 19 19 ASN N N 19 118.913 118.913 115.462 3.451 17889 1628 1 19 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.761 -0.196 17889 1629 1 19 . 1 1 19 19 ASN H H 19 8.189 8.189 8.329 -0.140 17889 1630 1 19 . 1 1 20 20 ASN N N 20 118.703 118.703 119.410 -0.707 17889 1631 1 19 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.866 -0.273 17889 1632 1 19 . 1 1 20 20 ASN H H 20 8.290 8.290 7.855 0.435 17889 1633 1 19 . 1 1 21 21 ASP N N 21 119.859 119.859 121.043 -1.184 17889 1634 1 19 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.372 0.176 17889 1635 1 19 . 1 1 21 21 ASP H H 21 8.206 8.206 8.596 -0.390 17889 1636 1 19 . 1 1 22 22 ASP N N 22 120.431 120.431 115.165 5.266 17889 1637 1 19 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.674 -0.124 17889 1638 1 19 . 1 1 22 22 ASP H H 22 8.294 8.294 8.497 -0.203 17889 1639 1 19 . 1 1 23 23 SER N N 23 115.864 115.864 114.593 1.271 17889 1640 1 19 . 1 1 23 23 SER HA H 23 4.213 4.213 4.615 -0.402 17889 1641 1 19 . 1 1 23 23 SER H H 23 8.186 8.186 7.964 0.222 17889 1642 1 19 . 1 1 24 24 TYR N N 24 121.678 121.678 114.062 7.616 17889 1643 1 19 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.819 -0.549 17889 1644 1 19 . 1 1 24 24 TYR H H 24 7.955 7.955 7.437 0.518 17889 1645 1 19 . 1 1 25 25 PHE N N 25 119.567 119.567 120.994 -1.427 17889 1646 1 19 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.715 -0.349 17889 1647 1 19 . 1 1 25 25 PHE H H 25 7.776 7.776 7.770 0.006 17889 1648 1 19 . 1 1 26 26 GLN N N 26 120.553 120.553 114.947 5.606 17889 1649 1 19 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.524 -0.392 17889 1650 1 19 . 1 1 26 26 GLN H H 26 7.928 7.928 8.338 -0.410 17889 1651 1 19 . 1 1 27 27 ARG N N 27 121.580 121.580 123.465 -1.885 17889 1652 1 19 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.266 -0.083 17889 1653 1 19 . 1 1 27 27 ARG H H 27 8.027 8.027 8.050 -0.023 17889 1654 1 19 . 1 1 28 28 LYS N N 28 123.672 123.672 118.961 4.711 17889 1655 1 19 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.124 0.347 17889 1656 1 19 . 1 1 28 28 LYS H H 28 8.158 8.158 8.222 -0.064 17889 1657 1 19 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.374 -0.076 17889 1658 1 19 . 1 1 30 30 LYS N N 30 121.864 121.864 119.886 1.978 17889 1659 1 19 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.358 -0.163 17889 1660 1 19 . 1 1 30 30 LYS H H 30 8.307 8.307 8.017 0.290 17889 1661 1 19 . 1 1 31 31 LEU N N 31 124.171 124.171 120.787 3.384 17889 1662 1 19 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.542 -0.172 17889 1663 1 19 . 1 1 31 31 LEU H H 31 8.276 8.276 8.174 0.102 17889 1664 1 19 . 1 1 32 32 THR N N 32 119.714 119.714 115.521 4.193 17889 1665 1 19 . 1 1 32 32 THR HA H 32 4.378 4.378 4.045 0.333 17889 1666 1 19 . 1 1 32 32 THR H H 32 7.952 7.952 8.417 -0.465 17889 1667 1 19 . 1 1 33 33 GLU N N 33 121.732 121.732 122.758 -1.026 17889 1668 1 19 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.383 -0.213 17889 1669 1 19 . 1 1 33 33 GLU H H 33 7.865 7.865 8.240 -0.375 17889 1670 1 19 . 1 1 34 34 ALA N N 34 127.078 127.078 124.507 2.571 17889 1671 1 19 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.641 -0.141 17889 1672 1 19 . 1 1 34 34 ALA H H 34 8.215 8.215 8.407 -0.192 17889 1673 1 20 . 1 1 2 2 HIS N N 2 121.309 121.309 119.623 1.686 17889 1674 1 20 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.843 -0.190 17889 1675 1 20 . 1 1 2 2 HIS H H 2 8.959 8.959 8.319 0.640 17889 1676 1 20 . 1 1 3 3 LYS N N 3 123.963 123.963 123.893 0.070 17889 1677 1 20 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.381 -0.186 17889 1678 1 20 . 1 1 3 3 LYS H H 3 8.533 8.533 8.823 -0.290 17889 1679 1 20 . 1 1 4 4 HIS N N 4 120.657 120.657 119.538 1.119 17889 1680 1 20 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.503 0.103 17889 1681 1 20 . 1 1 4 4 HIS H H 4 8.690 8.690 7.832 0.858 17889 1682 1 20 . 1 1 5 5 SER N N 5 117.522 117.522 113.561 3.961 17889 1683 1 20 . 1 1 5 5 SER HA H 5 4.347 4.347 4.049 0.298 17889 1684 1 20 . 1 1 5 5 SER H H 5 8.375 8.375 8.458 -0.083 17889 1685 1 20 . 1 1 6 6 ASP N N 6 122.035 122.035 117.073 4.962 17889 1686 1 20 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.442 0.127 17889 1687 1 20 . 1 1 6 6 ASP H H 6 8.405 8.405 8.022 0.383 17889 1688 1 20 . 1 1 7 7 GLU N N 7 120.246 120.246 124.334 -4.088 17889 1689 1 20 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.362 -0.089 17889 1690 1 20 . 1 1 7 7 GLU H H 7 8.237 8.237 8.396 -0.159 17889 1691 1 20 . 1 1 8 8 SER N N 8 117.720 117.720 114.320 3.400 17889 1692 1 20 . 1 1 8 8 SER HA H 8 4.398 4.398 4.562 -0.164 17889 1693 1 20 . 1 1 8 8 SER H H 8 8.193 8.193 8.217 -0.024 17889 1694 1 20 . 1 1 9 9 THR N N 9 115.050 115.050 113.248 1.802 17889 1695 1 20 . 1 1 9 9 THR HA H 9 4.226 4.226 4.125 0.101 17889 1696 1 20 . 1 1 9 9 THR H H 9 8.051 8.051 8.180 -0.129 17889 1697 1 20 . 1 1 10 10 SER N N 10 116.587 116.587 112.715 3.872 17889 1698 1 20 . 1 1 10 10 SER HA H 10 4.341 4.341 4.571 -0.230 17889 1699 1 20 . 1 1 10 10 SER H H 10 8.276 8.276 7.893 0.383 17889 1700 1 20 . 1 1 14 14 GLU N N 14 121.529 121.529 120.344 1.185 17889 1701 1 20 . 1 1 14 14 GLU HA H 14 4.190 4.190 3.958 0.232 17889 1702 1 20 . 1 1 14 14 GLU H H 14 8.117 8.117 8.392 -0.275 17889 1703 1 20 . 1 1 15 15 SER N N 15 116.705 116.705 112.318 4.387 17889 1704 1 20 . 1 1 15 15 SER HA H 15 4.331 4.331 4.330 0.001 17889 1705 1 20 . 1 1 15 15 SER H H 15 8.114 8.114 7.013 1.101 17889 1706 1 20 . 1 1 16 16 ILE N N 16 122.303 122.303 120.217 2.086 17889 1707 1 20 . 1 1 16 16 ILE HA H 16 4.061 4.061 3.832 0.229 17889 1708 1 20 . 1 1 16 16 ILE H H 16 7.981 7.981 8.177 -0.196 17889 1709 1 20 . 1 1 17 17 ALA N N 17 127.099 127.099 123.441 3.658 17889 1710 1 20 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.022 0.161 17889 1711 1 20 . 1 1 17 17 ALA H H 17 8.161 8.161 8.022 0.139 17889 1712 1 20 . 1 1 18 18 ASP N N 18 118.740 118.740 118.782 -0.042 17889 1713 1 20 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.556 -0.041 17889 1714 1 20 . 1 1 18 18 ASP H H 18 8.134 8.134 8.527 -0.393 17889 1715 1 20 . 1 1 19 19 ASN N N 19 118.913 118.913 115.046 3.867 17889 1716 1 20 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.835 -0.270 17889 1717 1 20 . 1 1 19 19 ASN H H 19 8.189 8.189 8.228 -0.039 17889 1718 1 20 . 1 1 20 20 ASN N N 20 118.703 118.703 117.979 0.724 17889 1719 1 20 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.830 -0.237 17889 1720 1 20 . 1 1 20 20 ASN H H 20 8.290 8.290 8.046 0.244 17889 1721 1 20 . 1 1 21 21 ASP N N 21 119.859 119.859 121.507 -1.648 17889 1722 1 20 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.666 -0.118 17889 1723 1 20 . 1 1 21 21 ASP H H 21 8.206 8.206 8.744 -0.538 17889 1724 1 20 . 1 1 22 22 ASP N N 22 120.431 120.431 115.279 5.152 17889 1725 1 20 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.536 0.014 17889 1726 1 20 . 1 1 22 22 ASP H H 22 8.294 8.294 8.743 -0.449 17889 1727 1 20 . 1 1 23 23 SER N N 23 115.864 115.864 112.639 3.225 17889 1728 1 20 . 1 1 23 23 SER HA H 23 4.213 4.213 4.563 -0.350 17889 1729 1 20 . 1 1 23 23 SER H H 23 8.186 8.186 7.419 0.767 17889 1730 1 20 . 1 1 24 24 TYR N N 24 121.678 121.678 118.278 3.400 17889 1731 1 20 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.756 -0.486 17889 1732 1 20 . 1 1 24 24 TYR H H 24 7.955 7.955 7.821 0.134 17889 1733 1 20 . 1 1 25 25 PHE N N 25 119.567 119.567 117.780 1.787 17889 1734 1 20 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.450 -0.084 17889 1735 1 20 . 1 1 25 25 PHE H H 25 7.776 7.776 7.655 0.121 17889 1736 1 20 . 1 1 26 26 GLN N N 26 120.553 120.553 116.424 4.129 17889 1737 1 20 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.495 -0.363 17889 1738 1 20 . 1 1 26 26 GLN H H 26 7.928 7.928 7.880 0.048 17889 1739 1 20 . 1 1 27 27 ARG N N 27 121.580 121.580 121.667 -0.087 17889 1740 1 20 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.492 -0.309 17889 1741 1 20 . 1 1 27 27 ARG H H 27 8.027 8.027 8.168 -0.141 17889 1742 1 20 . 1 1 28 28 LYS N N 28 123.672 123.672 123.696 -0.024 17889 1743 1 20 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.796 -0.325 17889 1744 1 20 . 1 1 28 28 LYS H H 28 8.158 8.158 7.960 0.198 17889 1745 1 20 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.385 -0.087 17889 1746 1 20 . 1 1 30 30 LYS N N 30 121.864 121.864 119.412 2.452 17889 1747 1 20 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.471 -0.276 17889 1748 1 20 . 1 1 30 30 LYS H H 30 8.307 8.307 7.968 0.339 17889 1749 1 20 . 1 1 31 31 LEU N N 31 124.171 124.171 121.789 2.382 17889 1750 1 20 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.520 -0.150 17889 1751 1 20 . 1 1 31 31 LEU H H 31 8.276 8.276 8.328 -0.052 17889 1752 1 20 . 1 1 32 32 THR N N 32 119.714 119.714 112.672 7.042 17889 1753 1 20 . 1 1 32 32 THR HA H 32 4.378 4.378 4.021 0.357 17889 1754 1 20 . 1 1 32 32 THR H H 32 7.952 7.952 8.372 -0.420 17889 1755 1 20 . 1 1 33 33 GLU N N 33 121.732 121.732 119.802 1.930 17889 1756 1 20 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.420 -0.250 17889 1757 1 20 . 1 1 33 33 GLU H H 33 7.865 7.865 8.129 -0.264 17889 1758 1 20 . 1 1 34 34 ALA N N 34 127.078 127.078 124.062 3.016 17889 1759 1 20 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.793 -0.293 17889 1760 1 20 . 1 1 34 34 ALA H H 34 8.215 8.215 8.300 -0.085 17889 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 29 3.620 -1.992 3.076 17889 2 1 1 "Average Difference" HA 30 0.272 0.026 0.275 17889 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17889 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17889 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17889 6 1 1 "Average Difference" HN 29 0.503 -0.042 0.510 17889 7 1 2 "Average Difference" N 29 3.717 -2.343 2.937 17889 8 1 2 "Average Difference" HA 30 0.246 0.010 0.250 17889 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17889 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17889 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17889 12 1 2 "Average Difference" HN 29 0.448 0.049 0.453 17889 13 1 3 "Average Difference" N 29 3.156 -1.921 2.548 17889 14 1 3 "Average Difference" HA 30 0.233 0.117 0.205 17889 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17889 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17889 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17889 18 1 3 "Average Difference" HN 29 0.413 0.083 0.411 17889 19 1 4 "Average Difference" N 29 3.104 -1.665 2.666 17889 20 1 4 "Average Difference" HA 30 0.225 0.019 0.228 17889 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17889 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17889 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17889 24 1 4 "Average Difference" HN 29 0.477 0.035 0.484 17889 25 1 5 "Average Difference" N 29 3.511 -2.338 2.665 17889 26 1 5 "Average Difference" HA 30 0.269 -0.012 0.273 17889 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17889 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17889 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17889 30 1 5 "Average Difference" HN 29 0.452 -0.041 0.458 17889 31 1 6 "Average Difference" N 29 2.915 -1.846 2.296 17889 32 1 6 "Average Difference" HA 30 0.239 0.085 0.227 17889 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17889 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17889 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17889 36 1 6 "Average Difference" HN 29 0.418 -0.027 0.425 17889 37 1 7 "Average Difference" N 29 2.857 -1.325 2.576 17889 38 1 7 "Average Difference" HA 30 0.256 0.068 0.251 17889 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17889 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17889 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17889 42 1 7 "Average Difference" HN 29 0.483 0.004 0.492 17889 43 1 8 "Average Difference" N 29 3.492 -2.496 2.484 17889 44 1 8 "Average Difference" HA 30 0.280 0.084 0.271 17889 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17889 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17889 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17889 48 1 8 "Average Difference" HN 29 0.430 0.061 0.434 17889 49 1 9 "Average Difference" N 29 4.390 -2.869 3.381 17889 50 1 9 "Average Difference" HA 30 0.214 0.050 0.211 17889 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17889 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17889 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17889 54 1 9 "Average Difference" HN 29 0.437 -0.094 0.434 17889 55 1 10 "Average Difference" N 29 3.929 -3.017 2.562 17889 56 1 10 "Average Difference" HA 30 0.287 0.150 0.249 17889 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17889 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17889 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17889 60 1 10 "Average Difference" HN 29 0.357 0.001 0.363 17889 61 1 11 "Average Difference" N 29 3.693 -1.900 3.223 17889 62 1 11 "Average Difference" HA 30 0.199 0.022 0.201 17889 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17889 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17889 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17889 66 1 11 "Average Difference" HN 29 0.462 0.006 0.470 17889 67 1 12 "Average Difference" N 29 3.534 -2.885 2.077 17889 68 1 12 "Average Difference" HA 30 0.292 0.125 0.269 17889 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17889 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17889 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17889 72 1 12 "Average Difference" HN 29 0.417 0.024 0.424 17889 73 1 13 "Average Difference" N 29 3.501 -2.031 2.902 17889 74 1 13 "Average Difference" HA 30 0.258 0.058 0.255 17889 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17889 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17889 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17889 78 1 13 "Average Difference" HN 29 0.462 0.043 0.468 17889 79 1 14 "Average Difference" N 29 3.621 -2.356 2.799 17889 80 1 14 "Average Difference" HA 30 0.229 0.042 0.229 17889 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17889 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17889 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17889 84 1 14 "Average Difference" HN 29 0.394 -0.008 0.401 17889 85 1 15 "Average Difference" N 29 2.973 -1.887 2.339 17889 86 1 15 "Average Difference" HA 30 0.177 0.081 0.161 17889 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17889 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17889 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17889 90 1 15 "Average Difference" HN 29 0.441 0.011 0.449 17889 91 1 16 "Average Difference" N 29 3.797 -2.729 2.688 17889 92 1 16 "Average Difference" HA 30 0.255 -0.001 0.259 17889 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17889 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17889 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17889 96 1 16 "Average Difference" HN 29 0.454 0.070 0.456 17889 97 1 17 "Average Difference" N 29 3.464 -1.981 2.892 17889 98 1 17 "Average Difference" HA 30 0.247 0.148 0.201 17889 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17889 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17889 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17889 102 1 17 "Average Difference" HN 29 0.431 -0.097 0.427 17889 103 1 18 "Average Difference" N 29 3.090 -1.893 2.485 17889 104 1 18 "Average Difference" HA 30 0.237 0.154 0.183 17889 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17889 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17889 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17889 108 1 18 "Average Difference" HN 29 0.406 0.066 0.408 17889 109 1 19 "Average Difference" N 29 3.181 -1.725 2.720 17889 110 1 19 "Average Difference" HA 30 0.272 0.096 0.258 17889 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17889 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17889 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17889 114 1 19 "Average Difference" HN 29 0.410 0.053 0.414 17889 115 1 20 "Average Difference" N 29 3.164 -2.255 2.259 17889 116 1 20 "Average Difference" HA 30 0.234 0.096 0.217 17889 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17889 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17889 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17889 120 1 20 "Average Difference" HN 29 0.402 -0.063 0.404 17889 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 17889 _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 HIS N N 2 121.309 121.309 119.620 1.689 17889 2 1 . 1 1 2 2 HIS HA H 2 4.653 4.653 4.707 -0.054 17889 3 1 . 1 1 2 2 HIS H H 2 8.959 8.959 8.178 0.781 17889 4 1 . 1 1 3 3 LYS N N 3 123.963 123.963 121.379 2.584 17889 5 1 . 1 1 3 3 LYS HA H 3 4.195 4.195 4.298 -0.103 17889 6 1 . 1 1 3 3 LYS H H 3 8.533 8.533 8.402 0.131 17889 7 1 . 1 1 4 4 HIS N N 4 120.657 120.657 119.004 1.653 17889 8 1 . 1 1 4 4 HIS HA H 4 4.606 4.606 4.567 0.039 17889 9 1 . 1 1 4 4 HIS H H 4 8.690 8.690 8.315 0.375 17889 10 1 . 1 1 5 5 SER N N 5 117.522 117.522 115.972 1.550 17889 11 1 . 1 1 5 5 SER HA H 5 4.347 4.347 4.348 -0.001 17889 12 1 . 1 1 5 5 SER H H 5 8.375 8.375 8.309 0.066 17889 13 1 . 1 1 6 6 ASP N N 6 122.035 122.035 121.148 0.887 17889 14 1 . 1 1 6 6 ASP HA H 6 4.569 4.569 4.650 -0.081 17889 15 1 . 1 1 6 6 ASP H H 6 8.405 8.405 8.252 0.153 17889 16 1 . 1 1 7 7 GLU N N 7 120.246 120.246 120.811 -0.565 17889 17 1 . 1 1 7 7 GLU HA H 7 4.273 4.273 4.373 -0.100 17889 18 1 . 1 1 7 7 GLU H H 7 8.237 8.237 8.400 -0.163 17889 19 1 . 1 1 8 8 SER N N 8 117.720 117.720 115.862 1.858 17889 20 1 . 1 1 8 8 SER HA H 8 4.398 4.398 4.502 -0.104 17889 21 1 . 1 1 8 8 SER H H 8 8.193 8.193 8.470 -0.277 17889 22 1 . 1 1 9 9 THR N N 9 115.050 115.050 113.345 1.705 17889 23 1 . 1 1 9 9 THR HA H 9 4.226 4.226 4.067 0.159 17889 24 1 . 1 1 9 9 THR H H 9 8.051 8.051 8.140 -0.089 17889 25 1 . 1 1 10 10 SER N N 10 116.587 116.587 113.811 2.776 17889 26 1 . 1 1 10 10 SER HA H 10 4.341 4.341 4.415 -0.074 17889 27 1 . 1 1 10 10 SER H H 10 8.276 8.276 8.058 0.218 17889 28 1 . 1 1 14 14 GLU N N 14 121.529 121.529 121.472 0.057 17889 29 1 . 1 1 14 14 GLU HA H 14 4.190 4.190 4.162 0.028 17889 30 1 . 1 1 14 14 GLU H H 14 8.117 8.117 8.590 -0.473 17889 31 1 . 1 1 15 15 SER N N 15 116.705 116.705 114.230 2.476 17889 32 1 . 1 1 15 15 SER HA H 15 4.331 4.331 4.449 -0.118 17889 33 1 . 1 1 15 15 SER H H 15 8.114 8.114 7.800 0.314 17889 34 1 . 1 1 16 16 ILE N N 16 122.303 122.303 121.986 0.317 17889 35 1 . 1 1 16 16 ILE HA H 16 4.061 4.061 4.023 0.038 17889 36 1 . 1 1 16 16 ILE H H 16 7.981 7.981 8.532 -0.551 17889 37 1 . 1 1 17 17 ALA N N 17 127.099 127.099 122.575 4.524 17889 38 1 . 1 1 17 17 ALA HA H 17 4.183 4.183 4.233 -0.050 17889 39 1 . 1 1 17 17 ALA H H 17 8.161 8.161 7.734 0.427 17889 40 1 . 1 1 18 18 ASP N N 18 118.740 118.740 117.287 1.453 17889 41 1 . 1 1 18 18 ASP HA H 18 4.515 4.515 4.535 -0.020 17889 42 1 . 1 1 18 18 ASP H H 18 8.134 8.134 8.715 -0.581 17889 43 1 . 1 1 19 19 ASN N N 19 118.913 118.913 113.711 5.202 17889 44 1 . 1 1 19 19 ASN HA H 19 4.565 4.565 4.733 -0.168 17889 45 1 . 1 1 19 19 ASN H H 19 8.189 8.189 8.193 -0.004 17889 46 1 . 1 1 20 20 ASN N N 20 118.703 118.703 117.895 0.808 17889 47 1 . 1 1 20 20 ASN HA H 20 4.593 4.593 4.828 -0.235 17889 48 1 . 1 1 20 20 ASN H H 20 8.290 8.290 8.121 0.169 17889 49 1 . 1 1 21 21 ASP N N 21 119.859 119.859 119.816 0.043 17889 50 1 . 1 1 21 21 ASP HA H 21 4.548 4.548 4.559 -0.011 17889 51 1 . 1 1 21 21 ASP H H 21 8.206 8.206 8.692 -0.486 17889 52 1 . 1 1 22 22 ASP N N 22 120.431 120.431 117.019 3.412 17889 53 1 . 1 1 22 22 ASP HA H 22 4.550 4.550 4.586 -0.036 17889 54 1 . 1 1 22 22 ASP H H 22 8.294 8.294 8.576 -0.282 17889 55 1 . 1 1 23 23 SER N N 23 115.864 115.864 113.063 2.801 17889 56 1 . 1 1 23 23 SER HA H 23 4.213 4.213 4.591 -0.378 17889 57 1 . 1 1 23 23 SER H H 23 8.186 8.186 7.935 0.251 17889 58 1 . 1 1 24 24 TYR N N 24 121.678 121.678 119.151 2.527 17889 59 1 . 1 1 24 24 TYR HA H 24 4.270 4.270 4.674 -0.404 17889 60 1 . 1 1 24 24 TYR H H 24 7.955 7.955 7.961 -0.006 17889 61 1 . 1 1 25 25 PHE N N 25 119.567 119.567 119.213 0.354 17889 62 1 . 1 1 25 25 PHE HA H 25 4.366 4.366 4.345 0.021 17889 63 1 . 1 1 25 25 PHE H H 25 7.776 7.776 7.586 0.190 17889 64 1 . 1 1 26 26 GLN N N 26 120.553 120.553 116.694 3.860 17889 65 1 . 1 1 26 26 GLN HA H 26 4.132 4.132 4.174 -0.042 17889 66 1 . 1 1 26 26 GLN H H 26 7.928 7.928 7.961 -0.033 17889 67 1 . 1 1 27 27 ARG N N 27 121.580 121.580 118.691 2.889 17889 68 1 . 1 1 27 27 ARG HA H 27 4.183 4.183 4.186 -0.003 17889 69 1 . 1 1 27 27 ARG H H 27 8.027 8.027 8.100 -0.073 17889 70 1 . 1 1 28 28 LYS N N 28 123.672 123.672 122.193 1.479 17889 71 1 . 1 1 28 28 LYS HA H 28 4.471 4.471 4.590 -0.119 17889 72 1 . 1 1 28 28 LYS H H 28 8.158 8.158 8.113 0.045 17889 73 1 . 1 1 29 29 PRO HA H 29 4.298 4.298 4.364 -0.066 17889 74 1 . 1 1 30 30 LYS N N 30 121.864 121.864 118.038 3.826 17889 75 1 . 1 1 30 30 LYS HA H 30 4.195 4.195 4.326 -0.131 17889 76 1 . 1 1 30 30 LYS H H 30 8.307 8.307 8.026 0.281 17889 77 1 . 1 1 31 31 LEU N N 31 124.171 124.171 120.280 3.892 17889 78 1 . 1 1 31 31 LEU HA H 31 4.370 4.370 4.375 -0.005 17889 79 1 . 1 1 31 31 LEU H H 31 8.276 8.276 8.200 0.076 17889 80 1 . 1 1 32 32 THR N N 32 119.714 119.714 112.833 6.881 17889 81 1 . 1 1 32 32 THR HA H 32 4.378 4.378 4.270 0.108 17889 82 1 . 1 1 32 32 THR H H 32 7.952 7.952 8.012 -0.060 17889 83 1 . 1 1 33 33 GLU N N 33 121.732 121.732 121.625 0.107 17889 84 1 . 1 1 33 33 GLU HA H 33 4.170 4.170 4.328 -0.158 17889 85 1 . 1 1 33 33 GLU H H 33 7.865 7.865 8.491 -0.626 17889 86 1 . 1 1 34 34 ALA N N 34 127.078 127.078 125.110 1.968 17889 87 1 . 1 1 34 34 ALA HA H 34 4.500 4.500 4.556 -0.056 17889 88 1 . 1 1 34 34 ALA H H 34 8.215 8.215 8.184 0.031 17889 stop_ save_