data_18345 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18345 _Entry.PDB_ID 2LR3 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 18345 _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 THR N N 2 118.700 118.700 120.132 -1.432 18345 2 1 1 . 1 1 2 2 THR HA H 2 4.847 4.847 4.299 0.548 18345 3 1 1 . 1 1 2 2 THR H H 2 8.842 8.842 8.451 0.391 18345 4 1 1 . 1 1 3 3 CYS N N 3 125.400 125.400 128.263 -2.863 18345 5 1 1 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.786 0.179 18345 6 1 1 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.467 12.233 18345 7 1 1 . 1 1 3 3 CYS H H 3 8.950 8.950 9.104 -0.154 18345 8 1 1 . 1 1 4 4 GLU N N 4 120.200 120.200 127.969 -7.769 18345 9 1 1 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.473 0.097 18345 10 1 1 . 1 1 4 4 GLU H H 4 8.550 8.550 8.656 -0.106 18345 11 1 1 . 1 1 5 5 SER N N 5 116.000 116.000 115.815 0.185 18345 12 1 1 . 1 1 5 5 SER HA H 5 4.660 4.660 4.781 -0.121 18345 13 1 1 . 1 1 5 5 SER H H 5 8.748 8.748 9.011 -0.263 18345 14 1 1 . 1 1 6 6 GLN N N 6 127.200 127.200 120.355 6.845 18345 15 1 1 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.412 -1.054 18345 16 1 1 . 1 1 6 6 GLN H H 6 8.993 8.993 8.344 0.649 18345 17 1 1 . 1 1 7 7 SER N N 7 119.400 119.400 119.607 -0.207 18345 18 1 1 . 1 1 7 7 SER HA H 7 4.291 4.291 4.729 -0.438 18345 19 1 1 . 1 1 7 7 SER H H 7 8.165 8.165 8.379 -0.214 18345 20 1 1 . 1 1 8 8 HIS N N 8 128.400 128.400 127.403 0.997 18345 21 1 1 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.629 0.179 18345 22 1 1 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.054 -0.954 18345 23 1 1 . 1 1 8 8 HIS H H 8 10.500 10.500 8.995 1.505 18345 24 1 1 . 1 1 9 9 LYS N N 9 119.100 119.100 119.723 -0.623 18345 25 1 1 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.183 0.101 18345 26 1 1 . 1 1 9 9 LYS H H 9 8.401 8.401 7.873 0.528 18345 27 1 1 . 1 1 10 10 PHE N N 10 121.700 121.700 122.259 -0.559 18345 28 1 1 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.322 -0.358 18345 29 1 1 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.902 -0.902 18345 30 1 1 . 1 1 10 10 PHE H H 10 8.324 8.324 7.622 0.702 18345 31 1 1 . 1 1 11 11 LYS N N 11 129.000 129.000 127.437 1.563 18345 32 1 1 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.174 0.458 18345 33 1 1 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.228 3.872 18345 34 1 1 . 1 1 11 11 LYS H H 11 7.905 7.905 7.731 0.174 18345 35 1 1 . 1 1 12 12 GLY N N 12 110.000 110.000 113.835 -3.835 18345 36 1 1 . 1 1 12 12 GLY H H 12 8.425 8.425 7.934 0.491 18345 37 1 1 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.641 -0.111 18345 38 1 1 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.891 -0.991 18345 39 1 1 . 1 1 14 14 CYS N N 14 125.200 125.200 118.646 6.554 18345 40 1 1 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.544 0.184 18345 41 1 1 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.545 8.555 18345 42 1 1 . 1 1 14 14 CYS H H 14 8.626 8.626 8.188 0.438 18345 43 1 1 . 1 1 15 15 ALA N N 15 130.100 130.100 128.929 1.171 18345 44 1 1 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.050 0.536 18345 45 1 1 . 1 1 15 15 ALA H H 15 8.735 8.735 8.440 0.295 18345 46 1 1 . 1 1 16 16 SER N N 16 112.400 112.400 110.377 2.023 18345 47 1 1 . 1 1 16 16 SER HA H 16 4.812 4.812 4.790 0.022 18345 48 1 1 . 1 1 16 16 SER H H 16 7.673 7.673 7.898 -0.225 18345 49 1 1 . 1 1 17 17 ASP N N 17 130.800 130.800 126.744 4.056 18345 50 1 1 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.269 0.071 18345 51 1 1 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.654 -0.453 18345 52 1 1 . 1 1 17 17 ASP H H 17 9.211 9.211 9.101 0.110 18345 53 1 1 . 1 1 18 18 HIS N N 18 117.100 117.100 117.325 -0.225 18345 54 1 1 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.268 0.163 18345 55 1 1 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.968 -1.867 18345 56 1 1 . 1 1 18 18 HIS H H 18 8.714 8.714 8.671 0.043 18345 57 1 1 . 1 1 19 19 ASN N N 19 119.300 119.300 118.336 0.964 18345 58 1 1 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.531 0.059 18345 59 1 1 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.690 -0.490 18345 60 1 1 . 1 1 19 19 ASN H H 19 8.001 8.001 7.582 0.419 18345 61 1 1 . 1 1 20 20 CYS N N 20 117.500 117.500 119.639 -2.139 18345 62 1 1 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.652 0.859 18345 63 1 1 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.702 10.698 18345 64 1 1 . 1 1 20 20 CYS H H 20 7.646 7.646 8.047 -0.401 18345 65 1 1 . 1 1 21 21 ALA N N 21 121.700 121.700 123.513 -1.813 18345 66 1 1 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.869 -0.292 18345 67 1 1 . 1 1 21 21 ALA H H 21 8.851 8.851 8.595 0.256 18345 68 1 1 . 1 1 22 22 SER N N 22 112.200 112.200 114.494 -2.294 18345 69 1 1 . 1 1 22 22 SER HA H 22 4.212 4.212 4.090 0.122 18345 70 1 1 . 1 1 22 22 SER H H 22 8.040 8.040 7.827 0.213 18345 71 1 1 . 1 1 23 23 VAL N N 23 123.400 123.400 122.531 0.869 18345 72 1 1 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.630 0.212 18345 73 1 1 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.826 0.174 18345 74 1 1 . 1 1 23 23 VAL H H 23 7.940 7.940 8.206 -0.266 18345 75 1 1 . 1 1 24 24 CYS N N 24 121.400 121.400 118.657 2.743 18345 76 1 1 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.041 0.673 18345 77 1 1 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.490 12.910 18345 78 1 1 . 1 1 24 24 CYS H H 24 9.188 9.188 8.259 0.929 18345 79 1 1 . 1 1 25 25 GLN N N 25 120.500 120.500 117.670 2.830 18345 80 1 1 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.338 1.762 18345 81 1 1 . 1 1 25 25 GLN H H 25 8.414 8.414 8.263 0.151 18345 82 1 1 . 1 1 26 26 THR N N 26 114.500 114.500 110.681 3.819 18345 83 1 1 . 1 1 26 26 THR HA H 26 4.527 4.527 4.142 0.385 18345 84 1 1 . 1 1 26 26 THR H H 26 8.084 8.084 7.933 0.151 18345 85 1 1 . 1 1 27 27 GLU N N 27 122.100 122.100 120.708 1.392 18345 86 1 1 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.263 0.177 18345 87 1 1 . 1 1 27 27 GLU H H 27 7.705 7.705 8.323 -0.618 18345 88 1 1 . 1 1 28 28 ARG N N 28 109.500 109.500 116.600 -7.100 18345 89 1 1 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.330 -0.407 18345 90 1 1 . 1 1 28 28 ARG H H 28 7.817 7.817 7.554 0.263 18345 91 1 1 . 1 1 29 29 PHE N N 29 117.700 117.700 119.629 -1.929 18345 92 1 1 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.832 0.154 18345 93 1 1 . 1 1 29 29 PHE H H 29 7.945 7.945 8.566 -0.621 18345 94 1 1 . 1 1 30 30 SER N N 30 113.100 113.100 117.163 -4.063 18345 95 1 1 . 1 1 30 30 SER HA H 30 4.590 4.590 4.985 -0.395 18345 96 1 1 . 1 1 30 30 SER H H 30 8.660 8.660 7.909 0.751 18345 97 1 1 . 1 1 31 31 GLY N N 31 107.500 107.500 110.448 -2.948 18345 98 1 1 . 1 1 31 31 GLY H H 31 7.746 7.746 8.524 -0.778 18345 99 1 1 . 1 1 32 32 GLY N N 32 107.300 107.300 110.417 -3.117 18345 100 1 1 . 1 1 32 32 GLY H H 32 7.985 7.985 8.117 -0.132 18345 101 1 1 . 1 1 33 33 ARG N N 33 115.400 115.400 119.776 -4.376 18345 102 1 1 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.868 -0.455 18345 103 1 1 . 1 1 33 33 ARG CB C 33 32.800 32.800 35.485 -2.685 18345 104 1 1 . 1 1 33 33 ARG H H 33 8.935 8.935 8.917 0.018 18345 105 1 1 . 1 1 34 34 CYS N N 34 120.200 120.200 118.184 2.016 18345 106 1 1 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.412 0.023 18345 107 1 1 . 1 1 34 34 CYS CB C 34 36.700 36.700 30.193 6.507 18345 108 1 1 . 1 1 34 34 CYS H H 34 8.831 8.831 8.948 -0.117 18345 109 1 1 . 1 1 35 35 ARG N N 35 121.700 121.700 125.301 -3.601 18345 110 1 1 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.125 0.565 18345 111 1 1 . 1 1 35 35 ARG H H 35 9.507 9.507 9.026 0.481 18345 112 1 1 . 1 1 36 36 GLY N N 36 109.200 109.200 115.543 -6.343 18345 113 1 1 . 1 1 36 36 GLY H H 36 8.466 8.466 8.564 -0.098 18345 114 1 1 . 1 1 37 37 PHE N N 37 121.700 121.700 121.409 0.291 18345 115 1 1 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.589 -0.168 18345 116 1 1 . 1 1 37 37 PHE CB C 37 38.600 38.600 40.620 -2.020 18345 117 1 1 . 1 1 37 37 PHE H H 37 8.530 8.530 7.967 0.563 18345 118 1 1 . 1 1 38 38 ARG N N 38 118.500 118.500 117.661 0.839 18345 119 1 1 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.880 -0.085 18345 120 1 1 . 1 1 38 38 ARG H H 38 8.023 8.023 8.556 -0.533 18345 121 1 1 . 1 1 39 39 ARG N N 39 117.500 117.500 119.130 -1.630 18345 122 1 1 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.111 0.051 18345 123 1 1 . 1 1 39 39 ARG H H 39 8.222 8.222 7.950 0.272 18345 124 1 1 . 1 1 40 40 ARG N N 40 122.500 122.500 116.128 6.372 18345 125 1 1 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.523 0.069 18345 126 1 1 . 1 1 40 40 ARG H H 40 8.292 8.292 7.950 0.342 18345 127 1 1 . 1 1 41 41 CYS N N 41 120.100 120.100 124.528 -4.428 18345 128 1 1 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.435 -0.718 18345 129 1 1 . 1 1 41 41 CYS CB C 41 35.200 35.200 27.378 7.822 18345 130 1 1 . 1 1 41 41 CYS H H 41 9.320 9.320 9.051 0.269 18345 131 1 1 . 1 1 42 42 PHE N N 42 130.000 130.000 126.906 3.094 18345 132 1 1 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.232 -0.747 18345 133 1 1 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.795 -1.295 18345 134 1 1 . 1 1 42 42 PHE H H 42 8.910 8.910 9.470 -0.560 18345 135 1 1 . 1 1 43 43 CYS N N 43 120.900 120.900 121.200 -0.300 18345 136 1 1 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.290 0.102 18345 137 1 1 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.687 5.513 18345 138 1 1 . 1 1 43 43 CYS H H 43 8.819 8.819 8.781 0.038 18345 139 1 1 . 1 1 44 44 THR N N 44 115.200 115.200 116.864 -1.664 18345 140 1 1 . 1 1 44 44 THR HA H 44 5.029 5.029 5.669 -0.640 18345 141 1 1 . 1 1 44 44 THR H H 44 8.420 8.420 9.101 -0.681 18345 142 1 1 . 1 1 45 45 THR N N 45 116.900 116.900 116.786 0.114 18345 143 1 1 . 1 1 45 45 THR HA H 45 4.849 4.849 4.768 0.081 18345 144 1 1 . 1 1 45 45 THR H H 45 8.538 8.538 9.123 -0.585 18345 145 1 1 . 1 1 46 46 HIS N N 46 121.800 121.800 118.721 3.079 18345 146 1 1 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.662 -0.591 18345 147 1 1 . 1 1 46 46 HIS CB C 46 28.700 28.700 28.552 0.148 18345 148 1 1 . 1 1 46 46 HIS H H 46 8.548 8.548 8.313 0.235 18345 149 1 2 . 1 1 2 2 THR N N 2 118.700 118.700 120.431 -1.731 18345 150 1 2 . 1 1 2 2 THR HA H 2 4.847 4.847 4.499 0.348 18345 151 1 2 . 1 1 2 2 THR H H 2 8.842 8.842 8.373 0.469 18345 152 1 2 . 1 1 3 3 CYS N N 3 125.400 125.400 127.983 -2.583 18345 153 1 2 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.795 0.170 18345 154 1 2 . 1 1 3 3 CYS CB C 3 41.700 41.700 27.282 14.418 18345 155 1 2 . 1 1 3 3 CYS H H 3 8.950 8.950 8.983 -0.033 18345 156 1 2 . 1 1 4 4 GLU N N 4 120.200 120.200 128.450 -8.250 18345 157 1 2 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.533 0.037 18345 158 1 2 . 1 1 4 4 GLU H H 4 8.550 8.550 8.667 -0.117 18345 159 1 2 . 1 1 5 5 SER N N 5 116.000 116.000 117.323 -1.323 18345 160 1 2 . 1 1 5 5 SER HA H 5 4.660 4.660 4.946 -0.286 18345 161 1 2 . 1 1 5 5 SER H H 5 8.748 8.748 9.092 -0.344 18345 162 1 2 . 1 1 6 6 GLN N N 6 127.200 127.200 118.992 8.208 18345 163 1 2 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.455 -1.097 18345 164 1 2 . 1 1 6 6 GLN H H 6 8.993 8.993 8.358 0.635 18345 165 1 2 . 1 1 7 7 SER N N 7 119.400 119.400 114.875 4.525 18345 166 1 2 . 1 1 7 7 SER HA H 7 4.291 4.291 4.821 -0.530 18345 167 1 2 . 1 1 7 7 SER H H 7 8.165 8.165 8.523 -0.358 18345 168 1 2 . 1 1 8 8 HIS N N 8 128.400 128.400 123.236 5.164 18345 169 1 2 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.901 -0.093 18345 170 1 2 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.813 -1.713 18345 171 1 2 . 1 1 8 8 HIS H H 8 10.500 10.500 8.594 1.906 18345 172 1 2 . 1 1 9 9 LYS N N 9 119.100 119.100 120.375 -1.275 18345 173 1 2 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.191 0.093 18345 174 1 2 . 1 1 9 9 LYS H H 9 8.401 8.401 7.727 0.674 18345 175 1 2 . 1 1 10 10 PHE N N 10 121.700 121.700 122.310 -0.610 18345 176 1 2 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.350 -0.386 18345 177 1 2 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.835 -0.835 18345 178 1 2 . 1 1 10 10 PHE H H 10 8.324 8.324 7.667 0.657 18345 179 1 2 . 1 1 11 11 LYS N N 11 129.000 129.000 127.069 1.931 18345 180 1 2 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.167 0.465 18345 181 1 2 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.186 2.914 18345 182 1 2 . 1 1 11 11 LYS H H 11 7.905 7.905 7.938 -0.033 18345 183 1 2 . 1 1 12 12 GLY N N 12 110.000 110.000 112.019 -2.019 18345 184 1 2 . 1 1 12 12 GLY H H 12 8.425 8.425 8.021 0.404 18345 185 1 2 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.496 0.034 18345 186 1 2 . 1 1 13 13 PRO CB C 13 31.900 31.900 30.381 1.519 18345 187 1 2 . 1 1 14 14 CYS N N 14 125.200 125.200 117.217 7.983 18345 188 1 2 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.227 0.501 18345 189 1 2 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.666 8.434 18345 190 1 2 . 1 1 14 14 CYS H H 14 8.626 8.626 8.584 0.042 18345 191 1 2 . 1 1 15 15 ALA N N 15 130.100 130.100 123.057 7.043 18345 192 1 2 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.106 0.480 18345 193 1 2 . 1 1 15 15 ALA H H 15 8.735 8.735 8.169 0.565 18345 194 1 2 . 1 1 16 16 SER N N 16 112.400 112.400 111.773 0.627 18345 195 1 2 . 1 1 16 16 SER HA H 16 4.812 4.812 4.714 0.098 18345 196 1 2 . 1 1 16 16 SER H H 16 7.673 7.673 8.169 -0.496 18345 197 1 2 . 1 1 17 17 ASP N N 17 130.800 130.800 128.118 2.682 18345 198 1 2 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.223 0.117 18345 199 1 2 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.194 0.006 18345 200 1 2 . 1 1 17 17 ASP H H 17 9.211 9.211 8.884 0.327 18345 201 1 2 . 1 1 18 18 HIS N N 18 117.100 117.100 119.643 -2.543 18345 202 1 2 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.199 0.232 18345 203 1 2 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.247 -2.147 18345 204 1 2 . 1 1 18 18 HIS H H 18 8.714 8.714 8.278 0.436 18345 205 1 2 . 1 1 19 19 ASN N N 19 119.300 119.300 117.965 1.335 18345 206 1 2 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.353 0.237 18345 207 1 2 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.710 0.490 18345 208 1 2 . 1 1 19 19 ASN H H 19 8.001 8.001 8.389 -0.388 18345 209 1 2 . 1 1 20 20 CYS N N 20 117.500 117.500 119.747 -2.247 18345 210 1 2 . 1 1 20 20 CYS HA H 20 4.511 4.511 2.635 1.876 18345 211 1 2 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.848 10.552 18345 212 1 2 . 1 1 20 20 CYS H H 20 7.646 7.646 7.905 -0.259 18345 213 1 2 . 1 1 21 21 ALA N N 21 121.700 121.700 123.068 -1.368 18345 214 1 2 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.767 -0.190 18345 215 1 2 . 1 1 21 21 ALA H H 21 8.851 8.851 8.073 0.778 18345 216 1 2 . 1 1 22 22 SER N N 22 112.200 112.200 114.155 -1.955 18345 217 1 2 . 1 1 22 22 SER HA H 22 4.212 4.212 4.041 0.171 18345 218 1 2 . 1 1 22 22 SER H H 22 8.040 8.040 7.897 0.143 18345 219 1 2 . 1 1 23 23 VAL N N 23 123.400 123.400 122.153 1.247 18345 220 1 2 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.748 0.094 18345 221 1 2 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.367 0.633 18345 222 1 2 . 1 1 23 23 VAL H H 23 7.940 7.940 8.211 -0.271 18345 223 1 2 . 1 1 24 24 CYS N N 24 121.400 121.400 120.268 1.132 18345 224 1 2 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.231 0.483 18345 225 1 2 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.556 12.844 18345 226 1 2 . 1 1 24 24 CYS H H 24 9.188 9.188 8.208 0.980 18345 227 1 2 . 1 1 25 25 GLN N N 25 120.500 120.500 118.834 1.666 18345 228 1 2 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.884 2.216 18345 229 1 2 . 1 1 25 25 GLN H H 25 8.414 8.414 8.321 0.093 18345 230 1 2 . 1 1 26 26 THR N N 26 114.500 114.500 111.659 2.841 18345 231 1 2 . 1 1 26 26 THR HA H 26 4.527 4.527 3.917 0.610 18345 232 1 2 . 1 1 26 26 THR H H 26 8.084 8.084 7.775 0.309 18345 233 1 2 . 1 1 27 27 GLU N N 27 122.100 122.100 121.638 0.462 18345 234 1 2 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.068 0.373 18345 235 1 2 . 1 1 27 27 GLU H H 27 7.705 7.705 8.039 -0.334 18345 236 1 2 . 1 1 28 28 ARG N N 28 109.500 109.500 118.855 -9.355 18345 237 1 2 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.489 -0.566 18345 238 1 2 . 1 1 28 28 ARG H H 28 7.817 7.817 8.211 -0.394 18345 239 1 2 . 1 1 29 29 PHE N N 29 117.700 117.700 123.336 -5.636 18345 240 1 2 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.409 0.577 18345 241 1 2 . 1 1 29 29 PHE H H 29 7.945 7.945 8.747 -0.802 18345 242 1 2 . 1 1 30 30 SER N N 30 113.100 113.100 117.706 -4.606 18345 243 1 2 . 1 1 30 30 SER HA H 30 4.590 4.590 4.868 -0.278 18345 244 1 2 . 1 1 30 30 SER H H 30 8.660 8.660 8.027 0.633 18345 245 1 2 . 1 1 31 31 GLY N N 31 107.500 107.500 110.069 -2.569 18345 246 1 2 . 1 1 31 31 GLY H H 31 7.746 7.746 8.342 -0.596 18345 247 1 2 . 1 1 32 32 GLY N N 32 107.300 107.300 109.693 -2.393 18345 248 1 2 . 1 1 32 32 GLY H H 32 7.985 7.985 8.237 -0.252 18345 249 1 2 . 1 1 33 33 ARG N N 33 115.400 115.400 121.827 -6.427 18345 250 1 2 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.795 -0.382 18345 251 1 2 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.013 -1.213 18345 252 1 2 . 1 1 33 33 ARG H H 33 8.935 8.935 8.830 0.105 18345 253 1 2 . 1 1 34 34 CYS N N 34 120.200 120.200 119.229 0.971 18345 254 1 2 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.388 0.047 18345 255 1 2 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.459 7.241 18345 256 1 2 . 1 1 34 34 CYS H H 34 8.831 8.831 8.532 0.299 18345 257 1 2 . 1 1 35 35 ARG N N 35 121.700 121.700 126.620 -4.920 18345 258 1 2 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.504 0.186 18345 259 1 2 . 1 1 35 35 ARG H H 35 9.507 9.507 8.821 0.686 18345 260 1 2 . 1 1 36 36 GLY N N 36 109.200 109.200 113.720 -4.520 18345 261 1 2 . 1 1 36 36 GLY H H 36 8.466 8.466 8.803 -0.337 18345 262 1 2 . 1 1 37 37 PHE N N 37 121.700 121.700 119.206 2.494 18345 263 1 2 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.510 -0.089 18345 264 1 2 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.776 -0.176 18345 265 1 2 . 1 1 37 37 PHE H H 37 8.530 8.530 7.840 0.690 18345 266 1 2 . 1 1 38 38 ARG N N 38 118.500 118.500 119.611 -1.111 18345 267 1 2 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.271 -0.476 18345 268 1 2 . 1 1 38 38 ARG H H 38 8.023 8.023 8.061 -0.038 18345 269 1 2 . 1 1 39 39 ARG N N 39 117.500 117.500 119.389 -1.889 18345 270 1 2 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.085 0.077 18345 271 1 2 . 1 1 39 39 ARG H H 39 8.222 8.222 7.884 0.338 18345 272 1 2 . 1 1 40 40 ARG N N 40 122.500 122.500 119.474 3.026 18345 273 1 2 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.600 -0.008 18345 274 1 2 . 1 1 40 40 ARG H H 40 8.292 8.292 7.698 0.594 18345 275 1 2 . 1 1 41 41 CYS N N 41 120.100 120.100 123.676 -3.576 18345 276 1 2 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.155 -0.438 18345 277 1 2 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.780 9.420 18345 278 1 2 . 1 1 41 41 CYS H H 41 9.320 9.320 8.996 0.324 18345 279 1 2 . 1 1 42 42 PHE N N 42 130.000 130.000 124.755 5.245 18345 280 1 2 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.145 -0.660 18345 281 1 2 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.639 -1.139 18345 282 1 2 . 1 1 42 42 PHE H H 42 8.910 8.910 9.147 -0.237 18345 283 1 2 . 1 1 43 43 CYS N N 43 120.900 120.900 121.836 -0.936 18345 284 1 2 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.671 -0.279 18345 285 1 2 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.115 5.085 18345 286 1 2 . 1 1 43 43 CYS H H 43 8.819 8.819 9.167 -0.348 18345 287 1 2 . 1 1 44 44 THR N N 44 115.200 115.200 114.361 0.839 18345 288 1 2 . 1 1 44 44 THR HA H 44 5.029 5.029 5.271 -0.242 18345 289 1 2 . 1 1 44 44 THR H H 44 8.420 8.420 9.153 -0.733 18345 290 1 2 . 1 1 45 45 THR N N 45 116.900 116.900 115.378 1.522 18345 291 1 2 . 1 1 45 45 THR HA H 45 4.849 4.849 4.419 0.430 18345 292 1 2 . 1 1 45 45 THR H H 45 8.538 8.538 8.806 -0.268 18345 293 1 2 . 1 1 46 46 HIS N N 46 121.800 121.800 120.734 1.066 18345 294 1 2 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.813 0.258 18345 295 1 2 . 1 1 46 46 HIS CB C 46 28.700 28.700 28.342 0.358 18345 296 1 2 . 1 1 46 46 HIS H H 46 8.548 8.548 8.514 0.034 18345 297 1 3 . 1 1 2 2 THR N N 2 118.700 118.700 119.315 -0.615 18345 298 1 3 . 1 1 2 2 THR HA H 2 4.847 4.847 4.626 0.221 18345 299 1 3 . 1 1 2 2 THR H H 2 8.842 8.842 8.455 0.387 18345 300 1 3 . 1 1 3 3 CYS N N 3 125.400 125.400 127.087 -1.687 18345 301 1 3 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.797 0.168 18345 302 1 3 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.085 11.615 18345 303 1 3 . 1 1 3 3 CYS H H 3 8.950 8.950 9.015 -0.065 18345 304 1 3 . 1 1 4 4 GLU N N 4 120.200 120.200 122.956 -2.756 18345 305 1 3 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.493 0.077 18345 306 1 3 . 1 1 4 4 GLU H H 4 8.550 8.550 8.573 -0.023 18345 307 1 3 . 1 1 5 5 SER N N 5 116.000 116.000 116.537 -0.537 18345 308 1 3 . 1 1 5 5 SER HA H 5 4.660 4.660 4.858 -0.198 18345 309 1 3 . 1 1 5 5 SER H H 5 8.748 8.748 9.135 -0.387 18345 310 1 3 . 1 1 6 6 GLN N N 6 127.200 127.200 120.002 7.198 18345 311 1 3 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.584 -1.226 18345 312 1 3 . 1 1 6 6 GLN H H 6 8.993 8.993 8.485 0.508 18345 313 1 3 . 1 1 7 7 SER N N 7 119.400 119.400 116.031 3.369 18345 314 1 3 . 1 1 7 7 SER HA H 7 4.291 4.291 4.637 -0.346 18345 315 1 3 . 1 1 7 7 SER H H 7 8.165 8.165 8.609 -0.444 18345 316 1 3 . 1 1 8 8 HIS N N 8 128.400 128.400 123.555 4.845 18345 317 1 3 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.806 0.002 18345 318 1 3 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.819 -0.719 18345 319 1 3 . 1 1 8 8 HIS H H 8 10.500 10.500 8.357 2.143 18345 320 1 3 . 1 1 9 9 LYS N N 9 119.100 119.100 119.944 -0.844 18345 321 1 3 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.159 0.125 18345 322 1 3 . 1 1 9 9 LYS H H 9 8.401 8.401 7.637 0.764 18345 323 1 3 . 1 1 10 10 PHE N N 10 121.700 121.700 120.246 1.454 18345 324 1 3 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.412 -0.448 18345 325 1 3 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.045 -1.045 18345 326 1 3 . 1 1 10 10 PHE H H 10 8.324 8.324 7.484 0.840 18345 327 1 3 . 1 1 11 11 LYS N N 11 129.000 129.000 125.715 3.285 18345 328 1 3 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.254 0.378 18345 329 1 3 . 1 1 11 11 LYS CB C 11 35.100 35.100 30.695 4.405 18345 330 1 3 . 1 1 11 11 LYS H H 11 7.905 7.905 7.304 0.601 18345 331 1 3 . 1 1 12 12 GLY N N 12 110.000 110.000 114.499 -4.499 18345 332 1 3 . 1 1 12 12 GLY H H 12 8.425 8.425 8.022 0.403 18345 333 1 3 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.571 -0.041 18345 334 1 3 . 1 1 13 13 PRO CB C 13 31.900 31.900 33.028 -1.128 18345 335 1 3 . 1 1 14 14 CYS N N 14 125.200 125.200 119.105 6.095 18345 336 1 3 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.367 0.361 18345 337 1 3 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.117 7.983 18345 338 1 3 . 1 1 14 14 CYS H H 14 8.626 8.626 8.543 0.083 18345 339 1 3 . 1 1 15 15 ALA N N 15 130.100 130.100 130.380 -0.280 18345 340 1 3 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.400 0.186 18345 341 1 3 . 1 1 15 15 ALA H H 15 8.735 8.735 8.344 0.391 18345 342 1 3 . 1 1 16 16 SER N N 16 112.400 112.400 113.139 -0.739 18345 343 1 3 . 1 1 16 16 SER HA H 16 4.812 4.812 4.813 -0.001 18345 344 1 3 . 1 1 16 16 SER H H 16 7.673 7.673 8.087 -0.414 18345 345 1 3 . 1 1 17 17 ASP N N 17 130.800 130.800 127.205 3.595 18345 346 1 3 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.326 0.014 18345 347 1 3 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.744 -0.544 18345 348 1 3 . 1 1 17 17 ASP H H 17 9.211 9.211 8.981 0.230 18345 349 1 3 . 1 1 18 18 HIS N N 18 117.100 117.100 118.485 -1.385 18345 350 1 3 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.305 0.126 18345 351 1 3 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.011 -1.911 18345 352 1 3 . 1 1 18 18 HIS H H 18 8.714 8.714 8.352 0.362 18345 353 1 3 . 1 1 19 19 ASN N N 19 119.300 119.300 117.335 1.965 18345 354 1 3 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.605 -0.015 18345 355 1 3 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.210 -0.010 18345 356 1 3 . 1 1 19 19 ASN H H 19 8.001 8.001 8.539 -0.538 18345 357 1 3 . 1 1 20 20 CYS N N 20 117.500 117.500 118.909 -1.409 18345 358 1 3 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.246 1.265 18345 359 1 3 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.019 10.381 18345 360 1 3 . 1 1 20 20 CYS H H 20 7.646 7.646 8.027 -0.381 18345 361 1 3 . 1 1 21 21 ALA N N 21 121.700 121.700 122.414 -0.714 18345 362 1 3 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.812 -0.235 18345 363 1 3 . 1 1 21 21 ALA H H 21 8.851 8.851 8.405 0.446 18345 364 1 3 . 1 1 22 22 SER N N 22 112.200 112.200 114.660 -2.460 18345 365 1 3 . 1 1 22 22 SER HA H 22 4.212 4.212 4.098 0.114 18345 366 1 3 . 1 1 22 22 SER H H 22 8.040 8.040 8.063 -0.023 18345 367 1 3 . 1 1 23 23 VAL N N 23 123.400 123.400 122.768 0.632 18345 368 1 3 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.696 0.146 18345 369 1 3 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.461 0.539 18345 370 1 3 . 1 1 23 23 VAL H H 23 7.940 7.940 8.284 -0.344 18345 371 1 3 . 1 1 24 24 CYS N N 24 121.400 121.400 119.940 1.460 18345 372 1 3 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.277 0.437 18345 373 1 3 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.633 12.767 18345 374 1 3 . 1 1 24 24 CYS H H 24 9.188 9.188 8.102 1.086 18345 375 1 3 . 1 1 25 25 GLN N N 25 120.500 120.500 118.413 2.087 18345 376 1 3 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.690 2.410 18345 377 1 3 . 1 1 25 25 GLN H H 25 8.414 8.414 8.442 -0.028 18345 378 1 3 . 1 1 26 26 THR N N 26 114.500 114.500 111.394 3.106 18345 379 1 3 . 1 1 26 26 THR HA H 26 4.527 4.527 3.915 0.612 18345 380 1 3 . 1 1 26 26 THR H H 26 8.084 8.084 7.894 0.190 18345 381 1 3 . 1 1 27 27 GLU N N 27 122.100 122.100 121.593 0.507 18345 382 1 3 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.120 0.321 18345 383 1 3 . 1 1 27 27 GLU H H 27 7.705 7.705 7.957 -0.252 18345 384 1 3 . 1 1 28 28 ARG N N 28 109.500 109.500 117.721 -8.221 18345 385 1 3 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.421 -0.498 18345 386 1 3 . 1 1 28 28 ARG H H 28 7.817 7.817 8.002 -0.185 18345 387 1 3 . 1 1 29 29 PHE N N 29 117.700 117.700 124.821 -7.121 18345 388 1 3 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.385 0.601 18345 389 1 3 . 1 1 29 29 PHE H H 29 7.945 7.945 8.912 -0.967 18345 390 1 3 . 1 1 30 30 SER N N 30 113.100 113.100 119.881 -6.781 18345 391 1 3 . 1 1 30 30 SER HA H 30 4.590 4.590 4.835 -0.245 18345 392 1 3 . 1 1 30 30 SER H H 30 8.660 8.660 8.247 0.413 18345 393 1 3 . 1 1 31 31 GLY N N 31 107.500 107.500 111.833 -4.333 18345 394 1 3 . 1 1 31 31 GLY H H 31 7.746 7.746 8.606 -0.860 18345 395 1 3 . 1 1 32 32 GLY N N 32 107.300 107.300 109.443 -2.143 18345 396 1 3 . 1 1 32 32 GLY H H 32 7.985 7.985 8.326 -0.341 18345 397 1 3 . 1 1 33 33 ARG N N 33 115.400 115.400 124.692 -9.292 18345 398 1 3 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.785 -0.372 18345 399 1 3 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.565 -1.765 18345 400 1 3 . 1 1 33 33 ARG H H 33 8.935 8.935 9.014 -0.079 18345 401 1 3 . 1 1 34 34 CYS N N 34 120.200 120.200 120.960 -0.760 18345 402 1 3 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.662 -0.227 18345 403 1 3 . 1 1 34 34 CYS CB C 34 36.700 36.700 26.789 9.911 18345 404 1 3 . 1 1 34 34 CYS H H 34 8.831 8.831 8.762 0.069 18345 405 1 3 . 1 1 35 35 ARG N N 35 121.700 121.700 126.309 -4.609 18345 406 1 3 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.825 -0.135 18345 407 1 3 . 1 1 35 35 ARG H H 35 9.507 9.507 9.360 0.147 18345 408 1 3 . 1 1 36 36 GLY N N 36 109.200 109.200 112.306 -3.106 18345 409 1 3 . 1 1 36 36 GLY H H 36 8.466 8.466 8.082 0.384 18345 410 1 3 . 1 1 37 37 PHE N N 37 121.700 121.700 120.167 1.533 18345 411 1 3 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.409 0.012 18345 412 1 3 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.499 -0.899 18345 413 1 3 . 1 1 37 37 PHE H H 37 8.530 8.530 8.829 -0.299 18345 414 1 3 . 1 1 38 38 ARG N N 38 118.500 118.500 117.518 0.982 18345 415 1 3 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.340 -0.545 18345 416 1 3 . 1 1 38 38 ARG H H 38 8.023 8.023 8.292 -0.269 18345 417 1 3 . 1 1 39 39 ARG N N 39 117.500 117.500 118.448 -0.948 18345 418 1 3 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.915 0.247 18345 419 1 3 . 1 1 39 39 ARG H H 39 8.222 8.222 7.960 0.263 18345 420 1 3 . 1 1 40 40 ARG N N 40 122.500 122.500 120.186 2.314 18345 421 1 3 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.589 0.003 18345 422 1 3 . 1 1 40 40 ARG H H 40 8.292 8.292 8.280 0.012 18345 423 1 3 . 1 1 41 41 CYS N N 41 120.100 120.100 121.566 -1.466 18345 424 1 3 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.984 -0.267 18345 425 1 3 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.332 8.868 18345 426 1 3 . 1 1 41 41 CYS H H 41 9.320 9.320 8.683 0.637 18345 427 1 3 . 1 1 42 42 PHE N N 42 130.000 130.000 127.282 2.718 18345 428 1 3 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.027 -0.542 18345 429 1 3 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.690 -1.190 18345 430 1 3 . 1 1 42 42 PHE H H 42 8.910 8.910 9.315 -0.405 18345 431 1 3 . 1 1 43 43 CYS N N 43 120.900 120.900 122.103 -1.203 18345 432 1 3 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.826 -0.434 18345 433 1 3 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.770 5.430 18345 434 1 3 . 1 1 43 43 CYS H H 43 8.819 8.819 8.990 -0.171 18345 435 1 3 . 1 1 44 44 THR N N 44 115.200 115.200 116.794 -1.594 18345 436 1 3 . 1 1 44 44 THR HA H 44 5.029 5.029 5.251 -0.222 18345 437 1 3 . 1 1 44 44 THR H H 44 8.420 8.420 8.897 -0.477 18345 438 1 3 . 1 1 45 45 THR N N 45 116.900 116.900 119.037 -2.137 18345 439 1 3 . 1 1 45 45 THR HA H 45 4.849 4.849 4.693 0.156 18345 440 1 3 . 1 1 45 45 THR H H 45 8.538 8.538 8.909 -0.371 18345 441 1 3 . 1 1 46 46 HIS N N 46 121.800 121.800 121.130 0.670 18345 442 1 3 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.198 -0.127 18345 443 1 3 . 1 1 46 46 HIS CB C 46 28.700 28.700 31.269 -2.569 18345 444 1 3 . 1 1 46 46 HIS H H 46 8.548 8.548 8.624 -0.076 18345 445 1 4 . 1 1 2 2 THR N N 2 118.700 118.700 116.066 2.634 18345 446 1 4 . 1 1 2 2 THR HA H 2 4.847 4.847 4.633 0.214 18345 447 1 4 . 1 1 2 2 THR H H 2 8.842 8.842 8.306 0.536 18345 448 1 4 . 1 1 3 3 CYS N N 3 125.400 125.400 124.505 0.895 18345 449 1 4 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.666 0.299 18345 450 1 4 . 1 1 3 3 CYS CB C 3 41.700 41.700 26.200 15.500 18345 451 1 4 . 1 1 3 3 CYS H H 3 8.950 8.950 8.659 0.291 18345 452 1 4 . 1 1 4 4 GLU N N 4 120.200 120.200 127.618 -7.418 18345 453 1 4 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.464 0.106 18345 454 1 4 . 1 1 4 4 GLU H H 4 8.550 8.550 8.580 -0.030 18345 455 1 4 . 1 1 5 5 SER N N 5 116.000 116.000 115.170 0.830 18345 456 1 4 . 1 1 5 5 SER HA H 5 4.660 4.660 4.754 -0.094 18345 457 1 4 . 1 1 5 5 SER H H 5 8.748 8.748 8.701 0.047 18345 458 1 4 . 1 1 6 6 GLN N N 6 127.200 127.200 119.568 7.632 18345 459 1 4 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.356 -0.998 18345 460 1 4 . 1 1 6 6 GLN H H 6 8.993 8.993 8.351 0.642 18345 461 1 4 . 1 1 7 7 SER N N 7 119.400 119.400 119.613 -0.213 18345 462 1 4 . 1 1 7 7 SER HA H 7 4.291 4.291 4.947 -0.656 18345 463 1 4 . 1 1 7 7 SER H H 7 8.165 8.165 8.543 -0.378 18345 464 1 4 . 1 1 8 8 HIS N N 8 128.400 128.400 120.956 7.444 18345 465 1 4 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.871 -0.063 18345 466 1 4 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.350 -1.250 18345 467 1 4 . 1 1 8 8 HIS H H 8 10.500 10.500 8.719 1.781 18345 468 1 4 . 1 1 9 9 LYS N N 9 119.100 119.100 120.530 -1.430 18345 469 1 4 . 1 1 9 9 LYS HA H 9 4.284 4.284 3.972 0.312 18345 470 1 4 . 1 1 9 9 LYS H H 9 8.401 8.401 8.099 0.302 18345 471 1 4 . 1 1 10 10 PHE N N 10 121.700 121.700 120.020 1.680 18345 472 1 4 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.399 -0.435 18345 473 1 4 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.169 -1.169 18345 474 1 4 . 1 1 10 10 PHE H H 10 8.324 8.324 7.942 0.382 18345 475 1 4 . 1 1 11 11 LYS N N 11 129.000 129.000 127.395 1.605 18345 476 1 4 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.162 0.470 18345 477 1 4 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.205 2.895 18345 478 1 4 . 1 1 11 11 LYS H H 11 7.905 7.905 7.585 0.320 18345 479 1 4 . 1 1 12 12 GLY N N 12 110.000 110.000 114.720 -4.720 18345 480 1 4 . 1 1 12 12 GLY H H 12 8.425 8.425 8.137 0.288 18345 481 1 4 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.497 0.033 18345 482 1 4 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.741 -0.841 18345 483 1 4 . 1 1 14 14 CYS N N 14 125.200 125.200 120.531 4.669 18345 484 1 4 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.341 0.387 18345 485 1 4 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.728 8.372 18345 486 1 4 . 1 1 14 14 CYS H H 14 8.626 8.626 8.312 0.314 18345 487 1 4 . 1 1 15 15 ALA N N 15 130.100 130.100 130.982 -0.882 18345 488 1 4 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.308 0.278 18345 489 1 4 . 1 1 15 15 ALA H H 15 8.735 8.735 8.469 0.266 18345 490 1 4 . 1 1 16 16 SER N N 16 112.400 112.400 114.198 -1.798 18345 491 1 4 . 1 1 16 16 SER HA H 16 4.812 4.812 4.651 0.161 18345 492 1 4 . 1 1 16 16 SER H H 16 7.673 7.673 7.894 -0.221 18345 493 1 4 . 1 1 17 17 ASP N N 17 130.800 130.800 130.454 0.346 18345 494 1 4 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.233 0.107 18345 495 1 4 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.496 -0.296 18345 496 1 4 . 1 1 17 17 ASP H H 17 9.211 9.211 8.995 0.216 18345 497 1 4 . 1 1 18 18 HIS N N 18 117.100 117.100 119.810 -2.710 18345 498 1 4 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.178 0.253 18345 499 1 4 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.148 -2.048 18345 500 1 4 . 1 1 18 18 HIS H H 18 8.714 8.714 7.908 0.806 18345 501 1 4 . 1 1 19 19 ASN N N 19 119.300 119.300 117.850 1.450 18345 502 1 4 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.598 -0.008 18345 503 1 4 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.614 -0.414 18345 504 1 4 . 1 1 19 19 ASN H H 19 8.001 8.001 7.843 0.158 18345 505 1 4 . 1 1 20 20 CYS N N 20 117.500 117.500 119.531 -2.031 18345 506 1 4 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.746 0.765 18345 507 1 4 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.892 10.508 18345 508 1 4 . 1 1 20 20 CYS H H 20 7.646 7.646 8.190 -0.544 18345 509 1 4 . 1 1 21 21 ALA N N 21 121.700 121.700 123.027 -1.327 18345 510 1 4 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.878 -0.301 18345 511 1 4 . 1 1 21 21 ALA H H 21 8.851 8.851 8.244 0.607 18345 512 1 4 . 1 1 22 22 SER N N 22 112.200 112.200 114.233 -2.033 18345 513 1 4 . 1 1 22 22 SER HA H 22 4.212 4.212 4.159 0.053 18345 514 1 4 . 1 1 22 22 SER H H 22 8.040 8.040 7.903 0.137 18345 515 1 4 . 1 1 23 23 VAL N N 23 123.400 123.400 122.586 0.814 18345 516 1 4 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.736 0.106 18345 517 1 4 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.517 0.483 18345 518 1 4 . 1 1 23 23 VAL H H 23 7.940 7.940 8.332 -0.392 18345 519 1 4 . 1 1 24 24 CYS N N 24 121.400 121.400 119.738 1.662 18345 520 1 4 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.356 0.358 18345 521 1 4 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.634 12.765 18345 522 1 4 . 1 1 24 24 CYS H H 24 9.188 9.188 8.197 0.991 18345 523 1 4 . 1 1 25 25 GLN N N 25 120.500 120.500 118.337 2.163 18345 524 1 4 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.037 2.063 18345 525 1 4 . 1 1 25 25 GLN H H 25 8.414 8.414 8.363 0.051 18345 526 1 4 . 1 1 26 26 THR N N 26 114.500 114.500 110.442 4.058 18345 527 1 4 . 1 1 26 26 THR HA H 26 4.527 4.527 4.169 0.358 18345 528 1 4 . 1 1 26 26 THR H H 26 8.084 8.084 7.937 0.147 18345 529 1 4 . 1 1 27 27 GLU N N 27 122.100 122.100 121.664 0.436 18345 530 1 4 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.131 0.310 18345 531 1 4 . 1 1 27 27 GLU H H 27 7.705 7.705 8.105 -0.400 18345 532 1 4 . 1 1 28 28 ARG N N 28 109.500 109.500 114.219 -4.719 18345 533 1 4 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.349 -0.426 18345 534 1 4 . 1 1 28 28 ARG H H 28 7.817 7.817 7.717 0.100 18345 535 1 4 . 1 1 29 29 PHE N N 29 117.700 117.700 118.464 -0.764 18345 536 1 4 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.467 0.519 18345 537 1 4 . 1 1 29 29 PHE H H 29 7.945 7.945 7.711 0.234 18345 538 1 4 . 1 1 30 30 SER N N 30 113.100 113.100 117.270 -4.170 18345 539 1 4 . 1 1 30 30 SER HA H 30 4.590 4.590 4.530 0.060 18345 540 1 4 . 1 1 30 30 SER H H 30 8.660 8.660 8.842 -0.182 18345 541 1 4 . 1 1 31 31 GLY N N 31 107.500 107.500 107.913 -0.413 18345 542 1 4 . 1 1 31 31 GLY H H 31 7.746 7.746 7.998 -0.252 18345 543 1 4 . 1 1 32 32 GLY N N 32 107.300 107.300 107.990 -0.690 18345 544 1 4 . 1 1 32 32 GLY H H 32 7.985 7.985 8.071 -0.086 18345 545 1 4 . 1 1 33 33 ARG N N 33 115.400 115.400 122.364 -6.964 18345 546 1 4 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.698 -0.285 18345 547 1 4 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.240 -1.440 18345 548 1 4 . 1 1 33 33 ARG H H 33 8.935 8.935 8.882 0.053 18345 549 1 4 . 1 1 34 34 CYS N N 34 120.200 120.200 118.702 1.498 18345 550 1 4 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.498 -0.063 18345 551 1 4 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.899 7.801 18345 552 1 4 . 1 1 34 34 CYS H H 34 8.831 8.831 8.601 0.230 18345 553 1 4 . 1 1 35 35 ARG N N 35 121.700 121.700 124.500 -2.800 18345 554 1 4 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.237 0.453 18345 555 1 4 . 1 1 35 35 ARG H H 35 9.507 9.507 8.723 0.784 18345 556 1 4 . 1 1 36 36 GLY N N 36 109.200 109.200 116.211 -7.011 18345 557 1 4 . 1 1 36 36 GLY H H 36 8.466 8.466 8.339 0.127 18345 558 1 4 . 1 1 37 37 PHE N N 37 121.700 121.700 120.344 1.356 18345 559 1 4 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.696 -0.275 18345 560 1 4 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.514 -0.914 18345 561 1 4 . 1 1 37 37 PHE H H 37 8.530 8.530 8.233 0.297 18345 562 1 4 . 1 1 38 38 ARG N N 38 118.500 118.500 120.839 -2.339 18345 563 1 4 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.248 -0.453 18345 564 1 4 . 1 1 38 38 ARG H H 38 8.023 8.023 8.152 -0.129 18345 565 1 4 . 1 1 39 39 ARG N N 39 117.500 117.500 113.296 4.204 18345 566 1 4 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.944 0.218 18345 567 1 4 . 1 1 39 39 ARG H H 39 8.222 8.222 7.716 0.506 18345 568 1 4 . 1 1 40 40 ARG N N 40 122.500 122.500 118.969 3.531 18345 569 1 4 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.647 -0.055 18345 570 1 4 . 1 1 40 40 ARG H H 40 8.292 8.292 8.081 0.211 18345 571 1 4 . 1 1 41 41 CYS N N 41 120.100 120.100 124.532 -4.432 18345 572 1 4 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.689 0.028 18345 573 1 4 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.842 9.358 18345 574 1 4 . 1 1 41 41 CYS H H 41 9.320 9.320 8.969 0.351 18345 575 1 4 . 1 1 42 42 PHE N N 42 130.000 130.000 125.108 4.892 18345 576 1 4 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.801 -0.316 18345 577 1 4 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.319 -1.819 18345 578 1 4 . 1 1 42 42 PHE H H 42 8.910 8.910 9.197 -0.287 18345 579 1 4 . 1 1 43 43 CYS N N 43 120.900 120.900 118.491 2.409 18345 580 1 4 . 1 1 43 43 CYS HA H 43 5.392 5.392 4.956 0.436 18345 581 1 4 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.408 5.792 18345 582 1 4 . 1 1 43 43 CYS H H 43 8.819 8.819 8.991 -0.172 18345 583 1 4 . 1 1 44 44 THR N N 44 115.200 115.200 115.609 -0.409 18345 584 1 4 . 1 1 44 44 THR HA H 44 5.029 5.029 5.046 -0.017 18345 585 1 4 . 1 1 44 44 THR H H 44 8.420 8.420 8.854 -0.433 18345 586 1 4 . 1 1 45 45 THR N N 45 116.900 116.900 116.648 0.252 18345 587 1 4 . 1 1 45 45 THR HA H 45 4.849 4.849 4.660 0.189 18345 588 1 4 . 1 1 45 45 THR H H 45 8.538 8.538 8.875 -0.337 18345 589 1 4 . 1 1 46 46 HIS N N 46 121.800 121.800 119.491 2.309 18345 590 1 4 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.911 0.160 18345 591 1 4 . 1 1 46 46 HIS CB C 46 28.700 28.700 31.221 -2.521 18345 592 1 4 . 1 1 46 46 HIS H H 46 8.548 8.548 8.493 0.055 18345 593 1 5 . 1 1 2 2 THR N N 2 118.700 118.700 116.403 2.297 18345 594 1 5 . 1 1 2 2 THR HA H 2 4.847 4.847 4.643 0.204 18345 595 1 5 . 1 1 2 2 THR H H 2 8.842 8.842 8.006 0.836 18345 596 1 5 . 1 1 3 3 CYS N N 3 125.400 125.400 124.126 1.274 18345 597 1 5 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.829 0.136 18345 598 1 5 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.578 12.122 18345 599 1 5 . 1 1 3 3 CYS H H 3 8.950 8.950 9.232 -0.282 18345 600 1 5 . 1 1 4 4 GLU N N 4 120.200 120.200 123.442 -3.242 18345 601 1 5 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.543 0.027 18345 602 1 5 . 1 1 4 4 GLU H H 4 8.550 8.550 8.534 0.016 18345 603 1 5 . 1 1 5 5 SER N N 5 116.000 116.000 116.092 -0.092 18345 604 1 5 . 1 1 5 5 SER HA H 5 4.660 4.660 4.846 -0.186 18345 605 1 5 . 1 1 5 5 SER H H 5 8.748 8.748 8.984 -0.236 18345 606 1 5 . 1 1 6 6 GLN N N 6 127.200 127.200 120.384 6.816 18345 607 1 5 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.542 -1.184 18345 608 1 5 . 1 1 6 6 GLN H H 6 8.993 8.993 8.689 0.304 18345 609 1 5 . 1 1 7 7 SER N N 7 119.400 119.400 121.364 -1.964 18345 610 1 5 . 1 1 7 7 SER HA H 7 4.291 4.291 4.709 -0.418 18345 611 1 5 . 1 1 7 7 SER H H 7 8.165 8.165 8.568 -0.403 18345 612 1 5 . 1 1 8 8 HIS N N 8 128.400 128.400 120.181 8.219 18345 613 1 5 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.848 -0.040 18345 614 1 5 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.180 -1.080 18345 615 1 5 . 1 1 8 8 HIS H H 8 10.500 10.500 8.211 2.289 18345 616 1 5 . 1 1 9 9 LYS N N 9 119.100 119.100 121.082 -1.982 18345 617 1 5 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.136 0.148 18345 618 1 5 . 1 1 9 9 LYS H H 9 8.401 8.401 7.937 0.464 18345 619 1 5 . 1 1 10 10 PHE N N 10 121.700 121.700 120.244 1.456 18345 620 1 5 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.413 -0.449 18345 621 1 5 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.058 -1.058 18345 622 1 5 . 1 1 10 10 PHE H H 10 8.324 8.324 8.030 0.294 18345 623 1 5 . 1 1 11 11 LYS N N 11 129.000 129.000 126.623 2.377 18345 624 1 5 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.134 0.498 18345 625 1 5 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.436 3.664 18345 626 1 5 . 1 1 11 11 LYS H H 11 7.905 7.905 7.726 0.179 18345 627 1 5 . 1 1 12 12 GLY N N 12 110.000 110.000 112.138 -2.138 18345 628 1 5 . 1 1 12 12 GLY H H 12 8.425 8.425 7.799 0.626 18345 629 1 5 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.487 0.043 18345 630 1 5 . 1 1 13 13 PRO CB C 13 31.900 31.900 29.777 2.123 18345 631 1 5 . 1 1 14 14 CYS N N 14 125.200 125.200 117.685 7.515 18345 632 1 5 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.161 0.567 18345 633 1 5 . 1 1 14 14 CYS CB C 14 33.100 33.100 26.895 6.205 18345 634 1 5 . 1 1 14 14 CYS H H 14 8.626 8.626 8.395 0.231 18345 635 1 5 . 1 1 15 15 ALA N N 15 130.100 130.100 130.755 -0.655 18345 636 1 5 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.290 0.296 18345 637 1 5 . 1 1 15 15 ALA H H 15 8.735 8.735 8.934 -0.199 18345 638 1 5 . 1 1 16 16 SER N N 16 112.400 112.400 114.217 -1.817 18345 639 1 5 . 1 1 16 16 SER HA H 16 4.812 4.812 4.717 0.095 18345 640 1 5 . 1 1 16 16 SER H H 16 7.673 7.673 7.851 -0.178 18345 641 1 5 . 1 1 17 17 ASP N N 17 130.800 130.800 128.230 2.570 18345 642 1 5 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.144 0.196 18345 643 1 5 . 1 1 17 17 ASP CB C 17 40.200 40.200 41.079 -0.879 18345 644 1 5 . 1 1 17 17 ASP H H 17 9.211 9.211 9.123 0.088 18345 645 1 5 . 1 1 18 18 HIS N N 18 117.100 117.100 117.462 -0.362 18345 646 1 5 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.201 0.230 18345 647 1 5 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.851 -1.751 18345 648 1 5 . 1 1 18 18 HIS H H 18 8.714 8.714 8.487 0.227 18345 649 1 5 . 1 1 19 19 ASN N N 19 119.300 119.300 117.861 1.439 18345 650 1 5 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.301 0.289 18345 651 1 5 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.064 0.136 18345 652 1 5 . 1 1 19 19 ASN H H 19 8.001 8.001 7.603 0.398 18345 653 1 5 . 1 1 20 20 CYS N N 20 117.500 117.500 119.467 -1.967 18345 654 1 5 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.704 0.807 18345 655 1 5 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.019 10.381 18345 656 1 5 . 1 1 20 20 CYS H H 20 7.646 7.646 7.975 -0.329 18345 657 1 5 . 1 1 21 21 ALA N N 21 121.700 121.700 123.132 -1.432 18345 658 1 5 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.864 -0.287 18345 659 1 5 . 1 1 21 21 ALA H H 21 8.851 8.851 8.446 0.405 18345 660 1 5 . 1 1 22 22 SER N N 22 112.200 112.200 113.689 -1.489 18345 661 1 5 . 1 1 22 22 SER HA H 22 4.212 4.212 4.099 0.113 18345 662 1 5 . 1 1 22 22 SER H H 22 8.040 8.040 7.951 0.089 18345 663 1 5 . 1 1 23 23 VAL N N 23 123.400 123.400 122.923 0.477 18345 664 1 5 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.670 0.172 18345 665 1 5 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.508 0.492 18345 666 1 5 . 1 1 23 23 VAL H H 23 7.940 7.940 8.115 -0.175 18345 667 1 5 . 1 1 24 24 CYS N N 24 121.400 121.400 119.362 2.038 18345 668 1 5 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.131 0.583 18345 669 1 5 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.672 12.727 18345 670 1 5 . 1 1 24 24 CYS H H 24 9.188 9.188 8.067 1.121 18345 671 1 5 . 1 1 25 25 GLN N N 25 120.500 120.500 117.897 2.603 18345 672 1 5 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.036 2.064 18345 673 1 5 . 1 1 25 25 GLN H H 25 8.414 8.414 8.205 0.209 18345 674 1 5 . 1 1 26 26 THR N N 26 114.500 114.500 110.316 4.184 18345 675 1 5 . 1 1 26 26 THR HA H 26 4.527 4.527 4.075 0.452 18345 676 1 5 . 1 1 26 26 THR H H 26 8.084 8.084 7.778 0.306 18345 677 1 5 . 1 1 27 27 GLU N N 27 122.100 122.100 120.844 1.256 18345 678 1 5 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.197 0.244 18345 679 1 5 . 1 1 27 27 GLU H H 27 7.705 7.705 8.131 -0.426 18345 680 1 5 . 1 1 28 28 ARG N N 28 109.500 109.500 116.459 -6.959 18345 681 1 5 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.319 -0.396 18345 682 1 5 . 1 1 28 28 ARG H H 28 7.817 7.817 7.693 0.124 18345 683 1 5 . 1 1 29 29 PHE N N 29 117.700 117.700 118.929 -1.229 18345 684 1 5 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.697 0.289 18345 685 1 5 . 1 1 29 29 PHE H H 29 7.945 7.945 8.583 -0.638 18345 686 1 5 . 1 1 30 30 SER N N 30 113.100 113.100 118.803 -5.703 18345 687 1 5 . 1 1 30 30 SER HA H 30 4.590 4.590 4.914 -0.324 18345 688 1 5 . 1 1 30 30 SER H H 30 8.660 8.660 8.212 0.448 18345 689 1 5 . 1 1 31 31 GLY N N 31 107.500 107.500 112.282 -4.782 18345 690 1 5 . 1 1 31 31 GLY H H 31 7.746 7.746 8.492 -0.746 18345 691 1 5 . 1 1 32 32 GLY N N 32 107.300 107.300 111.182 -3.882 18345 692 1 5 . 1 1 32 32 GLY H H 32 7.985 7.985 8.265 -0.280 18345 693 1 5 . 1 1 33 33 ARG N N 33 115.400 115.400 119.530 -4.130 18345 694 1 5 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.770 -0.357 18345 695 1 5 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.991 -2.191 18345 696 1 5 . 1 1 33 33 ARG H H 33 8.935 8.935 8.806 0.129 18345 697 1 5 . 1 1 34 34 CYS N N 34 120.200 120.200 121.119 -0.919 18345 698 1 5 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.400 0.035 18345 699 1 5 . 1 1 34 34 CYS CB C 34 36.700 36.700 26.249 10.451 18345 700 1 5 . 1 1 34 34 CYS H H 34 8.831 8.831 8.744 0.087 18345 701 1 5 . 1 1 35 35 ARG N N 35 121.700 121.700 128.948 -7.248 18345 702 1 5 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.593 0.097 18345 703 1 5 . 1 1 35 35 ARG H H 35 9.507 9.507 8.867 0.640 18345 704 1 5 . 1 1 36 36 GLY N N 36 109.200 109.200 109.529 -0.329 18345 705 1 5 . 1 1 36 36 GLY H H 36 8.466 8.466 7.950 0.516 18345 706 1 5 . 1 1 37 37 PHE N N 37 121.700 121.700 120.074 1.626 18345 707 1 5 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.585 -0.164 18345 708 1 5 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.292 -0.692 18345 709 1 5 . 1 1 37 37 PHE H H 37 8.530 8.530 8.084 0.446 18345 710 1 5 . 1 1 38 38 ARG N N 38 118.500 118.500 118.824 -0.324 18345 711 1 5 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.520 -0.725 18345 712 1 5 . 1 1 38 38 ARG H H 38 8.023 8.023 8.164 -0.141 18345 713 1 5 . 1 1 39 39 ARG N N 39 117.500 117.500 119.570 -2.070 18345 714 1 5 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.623 -0.461 18345 715 1 5 . 1 1 39 39 ARG H H 39 8.222 8.222 8.264 -0.042 18345 716 1 5 . 1 1 40 40 ARG N N 40 122.500 122.500 120.257 2.243 18345 717 1 5 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.596 -0.004 18345 718 1 5 . 1 1 40 40 ARG H H 40 8.292 8.292 8.230 0.062 18345 719 1 5 . 1 1 41 41 CYS N N 41 120.100 120.100 119.028 1.072 18345 720 1 5 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.531 -0.814 18345 721 1 5 . 1 1 41 41 CYS CB C 41 35.200 35.200 28.614 6.586 18345 722 1 5 . 1 1 41 41 CYS H H 41 9.320 9.320 8.508 0.812 18345 723 1 5 . 1 1 42 42 PHE N N 42 130.000 130.000 125.839 4.161 18345 724 1 5 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.384 -0.899 18345 725 1 5 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.690 -2.190 18345 726 1 5 . 1 1 42 42 PHE H H 42 8.910 8.910 9.020 -0.110 18345 727 1 5 . 1 1 43 43 CYS N N 43 120.900 120.900 121.074 -0.174 18345 728 1 5 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.582 -0.190 18345 729 1 5 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.415 4.785 18345 730 1 5 . 1 1 43 43 CYS H H 43 8.819 8.819 8.925 -0.106 18345 731 1 5 . 1 1 44 44 THR N N 44 115.200 115.200 115.580 -0.380 18345 732 1 5 . 1 1 44 44 THR HA H 44 5.029 5.029 5.415 -0.386 18345 733 1 5 . 1 1 44 44 THR H H 44 8.420 8.420 8.950 -0.530 18345 734 1 5 . 1 1 45 45 THR N N 45 116.900 116.900 117.678 -0.778 18345 735 1 5 . 1 1 45 45 THR HA H 45 4.849 4.849 4.822 0.027 18345 736 1 5 . 1 1 45 45 THR H H 45 8.538 8.538 8.932 -0.394 18345 737 1 5 . 1 1 46 46 HIS N N 46 121.800 121.800 122.710 -0.910 18345 738 1 5 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.716 0.355 18345 739 1 5 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.194 -1.494 18345 740 1 5 . 1 1 46 46 HIS H H 46 8.548 8.548 8.607 -0.059 18345 741 1 6 . 1 1 2 2 THR N N 2 118.700 118.700 117.439 1.261 18345 742 1 6 . 1 1 2 2 THR HA H 2 4.847 4.847 4.683 0.164 18345 743 1 6 . 1 1 2 2 THR H H 2 8.842 8.842 8.368 0.474 18345 744 1 6 . 1 1 3 3 CYS N N 3 125.400 125.400 126.179 -0.779 18345 745 1 6 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.946 0.019 18345 746 1 6 . 1 1 3 3 CYS CB C 3 41.700 41.700 31.424 10.276 18345 747 1 6 . 1 1 3 3 CYS H H 3 8.950 8.950 9.079 -0.129 18345 748 1 6 . 1 1 4 4 GLU N N 4 120.200 120.200 122.137 -1.937 18345 749 1 6 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.400 0.170 18345 750 1 6 . 1 1 4 4 GLU H H 4 8.550 8.550 8.596 -0.046 18345 751 1 6 . 1 1 5 5 SER N N 5 116.000 116.000 114.373 1.627 18345 752 1 6 . 1 1 5 5 SER HA H 5 4.660 4.660 4.889 -0.229 18345 753 1 6 . 1 1 5 5 SER H H 5 8.748 8.748 9.071 -0.323 18345 754 1 6 . 1 1 6 6 GLN N N 6 127.200 127.200 120.391 6.809 18345 755 1 6 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.311 -0.953 18345 756 1 6 . 1 1 6 6 GLN H H 6 8.993 8.993 8.471 0.522 18345 757 1 6 . 1 1 7 7 SER N N 7 119.400 119.400 119.331 0.069 18345 758 1 6 . 1 1 7 7 SER HA H 7 4.291 4.291 4.580 -0.289 18345 759 1 6 . 1 1 7 7 SER H H 7 8.165 8.165 8.421 -0.256 18345 760 1 6 . 1 1 8 8 HIS N N 8 128.400 128.400 124.602 3.798 18345 761 1 6 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.929 -0.121 18345 762 1 6 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.918 -0.818 18345 763 1 6 . 1 1 8 8 HIS H H 8 10.500 10.500 8.262 2.238 18345 764 1 6 . 1 1 9 9 LYS N N 9 119.100 119.100 120.541 -1.441 18345 765 1 6 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.269 0.015 18345 766 1 6 . 1 1 9 9 LYS H H 9 8.401 8.401 7.902 0.499 18345 767 1 6 . 1 1 10 10 PHE N N 10 121.700 121.700 122.520 -0.820 18345 768 1 6 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.315 -0.351 18345 769 1 6 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.426 -0.426 18345 770 1 6 . 1 1 10 10 PHE H H 10 8.324 8.324 7.592 0.732 18345 771 1 6 . 1 1 11 11 LYS N N 11 129.000 129.000 127.228 1.772 18345 772 1 6 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.391 0.241 18345 773 1 6 . 1 1 11 11 LYS CB C 11 35.100 35.100 34.330 0.770 18345 774 1 6 . 1 1 11 11 LYS H H 11 7.905 7.905 7.622 0.283 18345 775 1 6 . 1 1 12 12 GLY N N 12 110.000 110.000 111.278 -1.278 18345 776 1 6 . 1 1 12 12 GLY H H 12 8.425 8.425 8.185 0.240 18345 777 1 6 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.644 -0.114 18345 778 1 6 . 1 1 13 13 PRO CB C 13 31.900 31.900 31.654 0.246 18345 779 1 6 . 1 1 14 14 CYS N N 14 125.200 125.200 125.936 -0.736 18345 780 1 6 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.710 0.018 18345 781 1 6 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.893 8.207 18345 782 1 6 . 1 1 14 14 CYS H H 14 8.626 8.626 9.130 -0.504 18345 783 1 6 . 1 1 15 15 ALA N N 15 130.100 130.100 127.939 2.161 18345 784 1 6 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.449 0.137 18345 785 1 6 . 1 1 15 15 ALA H H 15 8.735 8.735 8.457 0.278 18345 786 1 6 . 1 1 16 16 SER N N 16 112.400 112.400 117.691 -5.291 18345 787 1 6 . 1 1 16 16 SER HA H 16 4.812 4.812 4.559 0.253 18345 788 1 6 . 1 1 16 16 SER H H 16 7.673 7.673 8.258 -0.585 18345 789 1 6 . 1 1 17 17 ASP N N 17 130.800 130.800 124.166 6.634 18345 790 1 6 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.178 0.162 18345 791 1 6 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.478 -0.279 18345 792 1 6 . 1 1 17 17 ASP H H 17 9.211 9.211 8.156 1.055 18345 793 1 6 . 1 1 18 18 HIS N N 18 117.100 117.100 118.832 -1.732 18345 794 1 6 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.219 0.212 18345 795 1 6 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.040 -1.940 18345 796 1 6 . 1 1 18 18 HIS H H 18 8.714 8.714 8.470 0.244 18345 797 1 6 . 1 1 19 19 ASN N N 19 119.300 119.300 117.830 1.470 18345 798 1 6 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.551 0.039 18345 799 1 6 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.163 0.037 18345 800 1 6 . 1 1 19 19 ASN H H 19 8.001 8.001 7.608 0.393 18345 801 1 6 . 1 1 20 20 CYS N N 20 117.500 117.500 119.216 -1.716 18345 802 1 6 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.686 0.825 18345 803 1 6 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.674 10.726 18345 804 1 6 . 1 1 20 20 CYS H H 20 7.646 7.646 7.807 -0.161 18345 805 1 6 . 1 1 21 21 ALA N N 21 121.700 121.700 123.255 -1.555 18345 806 1 6 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.808 -0.231 18345 807 1 6 . 1 1 21 21 ALA H H 21 8.851 8.851 8.322 0.529 18345 808 1 6 . 1 1 22 22 SER N N 22 112.200 112.200 114.293 -2.093 18345 809 1 6 . 1 1 22 22 SER HA H 22 4.212 4.212 4.067 0.145 18345 810 1 6 . 1 1 22 22 SER H H 22 8.040 8.040 8.010 0.030 18345 811 1 6 . 1 1 23 23 VAL N N 23 123.400 123.400 122.462 0.938 18345 812 1 6 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.675 0.167 18345 813 1 6 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.542 0.458 18345 814 1 6 . 1 1 23 23 VAL H H 23 7.940 7.940 8.140 -0.200 18345 815 1 6 . 1 1 24 24 CYS N N 24 121.400 121.400 120.018 1.382 18345 816 1 6 . 1 1 24 24 CYS HA H 24 4.714 4.714 3.941 0.773 18345 817 1 6 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.596 12.803 18345 818 1 6 . 1 1 24 24 CYS H H 24 9.188 9.188 8.376 0.812 18345 819 1 6 . 1 1 25 25 GLN N N 25 120.500 120.500 117.630 2.870 18345 820 1 6 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.976 2.124 18345 821 1 6 . 1 1 25 25 GLN H H 25 8.414 8.414 8.356 0.058 18345 822 1 6 . 1 1 26 26 THR N N 26 114.500 114.500 110.984 3.516 18345 823 1 6 . 1 1 26 26 THR HA H 26 4.527 4.527 4.144 0.383 18345 824 1 6 . 1 1 26 26 THR H H 26 8.084 8.084 7.985 0.099 18345 825 1 6 . 1 1 27 27 GLU N N 27 122.100 122.100 120.612 1.488 18345 826 1 6 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.177 0.264 18345 827 1 6 . 1 1 27 27 GLU H H 27 7.705 7.705 8.040 -0.335 18345 828 1 6 . 1 1 28 28 ARG N N 28 109.500 109.500 117.133 -7.633 18345 829 1 6 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.458 -0.535 18345 830 1 6 . 1 1 28 28 ARG H H 28 7.817 7.817 7.994 -0.177 18345 831 1 6 . 1 1 29 29 PHE N N 29 117.700 117.700 120.016 -2.316 18345 832 1 6 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.566 0.420 18345 833 1 6 . 1 1 29 29 PHE H H 29 7.945 7.945 8.701 -0.756 18345 834 1 6 . 1 1 30 30 SER N N 30 113.100 113.100 116.984 -3.884 18345 835 1 6 . 1 1 30 30 SER HA H 30 4.590 4.590 4.970 -0.380 18345 836 1 6 . 1 1 30 30 SER H H 30 8.660 8.660 7.876 0.784 18345 837 1 6 . 1 1 31 31 GLY N N 31 107.500 107.500 110.328 -2.828 18345 838 1 6 . 1 1 31 31 GLY H H 31 7.746 7.746 8.510 -0.764 18345 839 1 6 . 1 1 32 32 GLY N N 32 107.300 107.300 108.323 -1.023 18345 840 1 6 . 1 1 32 32 GLY H H 32 7.985 7.985 8.187 -0.202 18345 841 1 6 . 1 1 33 33 ARG N N 33 115.400 115.400 120.250 -4.850 18345 842 1 6 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.770 -0.357 18345 843 1 6 . 1 1 33 33 ARG CB C 33 32.800 32.800 33.564 -0.764 18345 844 1 6 . 1 1 33 33 ARG H H 33 8.935 8.935 8.729 0.206 18345 845 1 6 . 1 1 34 34 CYS N N 34 120.200 120.200 122.630 -2.430 18345 846 1 6 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.172 0.263 18345 847 1 6 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.124 8.576 18345 848 1 6 . 1 1 34 34 CYS H H 34 8.831 8.831 8.696 0.135 18345 849 1 6 . 1 1 35 35 ARG N N 35 121.700 121.700 127.922 -6.222 18345 850 1 6 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.382 0.308 18345 851 1 6 . 1 1 35 35 ARG H H 35 9.507 9.507 8.918 0.589 18345 852 1 6 . 1 1 36 36 GLY N N 36 109.200 109.200 114.229 -5.029 18345 853 1 6 . 1 1 36 36 GLY H H 36 8.466 8.466 8.673 -0.207 18345 854 1 6 . 1 1 37 37 PHE N N 37 121.700 121.700 123.375 -1.675 18345 855 1 6 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.523 -0.102 18345 856 1 6 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.235 -0.635 18345 857 1 6 . 1 1 37 37 PHE H H 37 8.530 8.530 8.131 0.399 18345 858 1 6 . 1 1 38 38 ARG N N 38 118.500 118.500 120.443 -1.943 18345 859 1 6 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.530 -0.735 18345 860 1 6 . 1 1 38 38 ARG H H 38 8.023 8.023 8.701 -0.678 18345 861 1 6 . 1 1 39 39 ARG N N 39 117.500 117.500 117.826 -0.326 18345 862 1 6 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.548 -0.386 18345 863 1 6 . 1 1 39 39 ARG H H 39 8.222 8.222 7.943 0.279 18345 864 1 6 . 1 1 40 40 ARG N N 40 122.500 122.500 124.696 -2.196 18345 865 1 6 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.615 -0.023 18345 866 1 6 . 1 1 40 40 ARG H H 40 8.292 8.292 8.575 -0.283 18345 867 1 6 . 1 1 41 41 CYS N N 41 120.100 120.100 123.958 -3.858 18345 868 1 6 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.974 -0.257 18345 869 1 6 . 1 1 41 41 CYS CB C 41 35.200 35.200 28.683 6.517 18345 870 1 6 . 1 1 41 41 CYS H H 41 9.320 9.320 8.950 0.370 18345 871 1 6 . 1 1 42 42 PHE N N 42 130.000 130.000 123.199 6.801 18345 872 1 6 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.008 -0.523 18345 873 1 6 . 1 1 42 42 PHE CB C 42 41.500 41.500 44.086 -2.586 18345 874 1 6 . 1 1 42 42 PHE H H 42 8.910 8.910 9.166 -0.256 18345 875 1 6 . 1 1 43 43 CYS N N 43 120.900 120.900 120.147 0.753 18345 876 1 6 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.743 -0.351 18345 877 1 6 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.695 5.505 18345 878 1 6 . 1 1 43 43 CYS H H 43 8.819 8.819 8.923 -0.104 18345 879 1 6 . 1 1 44 44 THR N N 44 115.200 115.200 120.848 -5.648 18345 880 1 6 . 1 1 44 44 THR HA H 44 5.029 5.029 5.270 -0.241 18345 881 1 6 . 1 1 44 44 THR H H 44 8.420 8.420 9.156 -0.736 18345 882 1 6 . 1 1 45 45 THR N N 45 116.900 116.900 116.582 0.318 18345 883 1 6 . 1 1 45 45 THR HA H 45 4.849 4.849 4.793 0.056 18345 884 1 6 . 1 1 45 45 THR H H 45 8.538 8.538 9.178 -0.640 18345 885 1 6 . 1 1 46 46 HIS N N 46 121.800 121.800 121.418 0.382 18345 886 1 6 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.782 0.289 18345 887 1 6 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.638 -1.938 18345 888 1 6 . 1 1 46 46 HIS H H 46 8.548 8.548 8.638 -0.090 18345 889 1 7 . 1 1 2 2 THR N N 2 118.700 118.700 120.300 -1.600 18345 890 1 7 . 1 1 2 2 THR HA H 2 4.847 4.847 5.063 -0.216 18345 891 1 7 . 1 1 2 2 THR H H 2 8.842 8.842 8.113 0.729 18345 892 1 7 . 1 1 3 3 CYS N N 3 125.400 125.400 124.132 1.268 18345 893 1 7 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.773 0.192 18345 894 1 7 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.859 11.841 18345 895 1 7 . 1 1 3 3 CYS H H 3 8.950 8.950 9.142 -0.192 18345 896 1 7 . 1 1 4 4 GLU N N 4 120.200 120.200 124.837 -4.637 18345 897 1 7 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.481 0.089 18345 898 1 7 . 1 1 4 4 GLU H H 4 8.550 8.550 8.772 -0.222 18345 899 1 7 . 1 1 5 5 SER N N 5 116.000 116.000 119.960 -3.960 18345 900 1 7 . 1 1 5 5 SER HA H 5 4.660 4.660 4.894 -0.234 18345 901 1 7 . 1 1 5 5 SER H H 5 8.748 8.748 8.919 -0.171 18345 902 1 7 . 1 1 6 6 GLN N N 6 127.200 127.200 119.037 8.163 18345 903 1 7 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.283 -0.925 18345 904 1 7 . 1 1 6 6 GLN H H 6 8.993 8.993 8.390 0.603 18345 905 1 7 . 1 1 7 7 SER N N 7 119.400 119.400 118.260 1.140 18345 906 1 7 . 1 1 7 7 SER HA H 7 4.291 4.291 4.642 -0.351 18345 907 1 7 . 1 1 7 7 SER H H 7 8.165 8.165 8.456 -0.291 18345 908 1 7 . 1 1 8 8 HIS N N 8 128.400 128.400 120.772 7.628 18345 909 1 7 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.859 -0.051 18345 910 1 7 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.625 -1.526 18345 911 1 7 . 1 1 8 8 HIS H H 8 10.500 10.500 8.285 2.215 18345 912 1 7 . 1 1 9 9 LYS N N 9 119.100 119.100 119.745 -0.645 18345 913 1 7 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.267 0.017 18345 914 1 7 . 1 1 9 9 LYS H H 9 8.401 8.401 8.206 0.195 18345 915 1 7 . 1 1 10 10 PHE N N 10 121.700 121.700 120.238 1.462 18345 916 1 7 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.466 -0.502 18345 917 1 7 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.924 -0.924 18345 918 1 7 . 1 1 10 10 PHE H H 10 8.324 8.324 7.652 0.672 18345 919 1 7 . 1 1 11 11 LYS N N 11 129.000 129.000 124.735 4.265 18345 920 1 7 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.386 0.246 18345 921 1 7 . 1 1 11 11 LYS CB C 11 35.100 35.100 33.207 1.893 18345 922 1 7 . 1 1 11 11 LYS H H 11 7.905 7.905 7.531 0.374 18345 923 1 7 . 1 1 12 12 GLY N N 12 110.000 110.000 113.061 -3.061 18345 924 1 7 . 1 1 12 12 GLY H H 12 8.425 8.425 8.244 0.181 18345 925 1 7 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.563 -0.033 18345 926 1 7 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.771 -0.871 18345 927 1 7 . 1 1 14 14 CYS N N 14 125.200 125.200 120.184 5.016 18345 928 1 7 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.588 0.140 18345 929 1 7 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.132 7.968 18345 930 1 7 . 1 1 14 14 CYS H H 14 8.626 8.626 8.294 0.332 18345 931 1 7 . 1 1 15 15 ALA N N 15 130.100 130.100 130.414 -0.314 18345 932 1 7 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.189 0.397 18345 933 1 7 . 1 1 15 15 ALA H H 15 8.735 8.735 8.651 0.084 18345 934 1 7 . 1 1 16 16 SER N N 16 112.400 112.400 110.544 1.856 18345 935 1 7 . 1 1 16 16 SER HA H 16 4.812 4.812 4.463 0.349 18345 936 1 7 . 1 1 16 16 SER H H 16 7.673 7.673 7.716 -0.043 18345 937 1 7 . 1 1 17 17 ASP N N 17 130.800 130.800 129.372 1.428 18345 938 1 7 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.272 0.068 18345 939 1 7 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.512 -0.312 18345 940 1 7 . 1 1 17 17 ASP H H 17 9.211 9.211 8.870 0.341 18345 941 1 7 . 1 1 18 18 HIS N N 18 117.100 117.100 119.753 -2.653 18345 942 1 7 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.227 0.204 18345 943 1 7 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.387 -2.288 18345 944 1 7 . 1 1 18 18 HIS H H 18 8.714 8.714 7.674 1.040 18345 945 1 7 . 1 1 19 19 ASN N N 19 119.300 119.300 118.487 0.813 18345 946 1 7 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.505 0.085 18345 947 1 7 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.141 0.059 18345 948 1 7 . 1 1 19 19 ASN H H 19 8.001 8.001 7.598 0.403 18345 949 1 7 . 1 1 20 20 CYS N N 20 117.500 117.500 118.908 -1.408 18345 950 1 7 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.409 1.102 18345 951 1 7 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.155 10.245 18345 952 1 7 . 1 1 20 20 CYS H H 20 7.646 7.646 8.011 -0.365 18345 953 1 7 . 1 1 21 21 ALA N N 21 121.700 121.700 122.874 -1.174 18345 954 1 7 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.888 -0.311 18345 955 1 7 . 1 1 21 21 ALA H H 21 8.851 8.851 8.266 0.585 18345 956 1 7 . 1 1 22 22 SER N N 22 112.200 112.200 114.806 -2.606 18345 957 1 7 . 1 1 22 22 SER HA H 22 4.212 4.212 4.187 0.025 18345 958 1 7 . 1 1 22 22 SER H H 22 8.040 8.040 8.010 0.030 18345 959 1 7 . 1 1 23 23 VAL N N 23 123.400 123.400 122.287 1.113 18345 960 1 7 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.750 0.092 18345 961 1 7 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.479 0.521 18345 962 1 7 . 1 1 23 23 VAL H H 23 7.940 7.940 8.161 -0.221 18345 963 1 7 . 1 1 24 24 CYS N N 24 121.400 121.400 119.795 1.605 18345 964 1 7 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.225 0.489 18345 965 1 7 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.427 12.973 18345 966 1 7 . 1 1 24 24 CYS H H 24 9.188 9.188 8.260 0.928 18345 967 1 7 . 1 1 25 25 GLN N N 25 120.500 120.500 117.831 2.669 18345 968 1 7 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.787 2.313 18345 969 1 7 . 1 1 25 25 GLN H H 25 8.414 8.414 8.477 -0.063 18345 970 1 7 . 1 1 26 26 THR N N 26 114.500 114.500 110.343 4.157 18345 971 1 7 . 1 1 26 26 THR HA H 26 4.527 4.527 4.133 0.394 18345 972 1 7 . 1 1 26 26 THR H H 26 8.084 8.084 7.829 0.255 18345 973 1 7 . 1 1 27 27 GLU N N 27 122.100 122.100 121.653 0.447 18345 974 1 7 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.016 0.425 18345 975 1 7 . 1 1 27 27 GLU H H 27 7.705 7.705 8.035 -0.330 18345 976 1 7 . 1 1 28 28 ARG N N 28 109.500 109.500 116.622 -7.122 18345 977 1 7 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.012 -0.089 18345 978 1 7 . 1 1 28 28 ARG H H 28 7.817 7.817 7.438 0.379 18345 979 1 7 . 1 1 29 29 PHE N N 29 117.700 117.700 119.725 -2.025 18345 980 1 7 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.809 0.177 18345 981 1 7 . 1 1 29 29 PHE H H 29 7.945 7.945 8.323 -0.378 18345 982 1 7 . 1 1 30 30 SER N N 30 113.100 113.100 117.404 -4.304 18345 983 1 7 . 1 1 30 30 SER HA H 30 4.590 4.590 4.945 -0.355 18345 984 1 7 . 1 1 30 30 SER H H 30 8.660 8.660 8.195 0.465 18345 985 1 7 . 1 1 31 31 GLY N N 31 107.500 107.500 110.949 -3.449 18345 986 1 7 . 1 1 31 31 GLY H H 31 7.746 7.746 8.623 -0.877 18345 987 1 7 . 1 1 32 32 GLY N N 32 107.300 107.300 109.872 -2.572 18345 988 1 7 . 1 1 32 32 GLY H H 32 7.985 7.985 8.390 -0.405 18345 989 1 7 . 1 1 33 33 ARG N N 33 115.400 115.400 120.960 -5.560 18345 990 1 7 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.645 -0.232 18345 991 1 7 . 1 1 33 33 ARG CB C 33 32.800 32.800 35.337 -2.537 18345 992 1 7 . 1 1 33 33 ARG H H 33 8.935 8.935 8.997 -0.062 18345 993 1 7 . 1 1 34 34 CYS N N 34 120.200 120.200 118.069 2.131 18345 994 1 7 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.242 0.193 18345 995 1 7 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.556 7.144 18345 996 1 7 . 1 1 34 34 CYS H H 34 8.831 8.831 8.557 0.274 18345 997 1 7 . 1 1 35 35 ARG N N 35 121.700 121.700 121.791 -0.091 18345 998 1 7 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.481 0.209 18345 999 1 7 . 1 1 35 35 ARG H H 35 9.507 9.507 9.310 0.197 18345 1000 1 7 . 1 1 36 36 GLY N N 36 109.200 109.200 107.474 1.726 18345 1001 1 7 . 1 1 36 36 GLY H H 36 8.466 8.466 7.616 0.850 18345 1002 1 7 . 1 1 37 37 PHE N N 37 121.700 121.700 123.853 -2.153 18345 1003 1 7 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.316 0.105 18345 1004 1 7 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.061 0.539 18345 1005 1 7 . 1 1 37 37 PHE H H 37 8.530 8.530 8.563 -0.033 18345 1006 1 7 . 1 1 38 38 ARG N N 38 118.500 118.500 117.221 1.279 18345 1007 1 7 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.962 -0.167 18345 1008 1 7 . 1 1 38 38 ARG H H 38 8.023 8.023 8.399 -0.376 18345 1009 1 7 . 1 1 39 39 ARG N N 39 117.500 117.500 119.090 -1.590 18345 1010 1 7 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.511 -0.349 18345 1011 1 7 . 1 1 39 39 ARG H H 39 8.222 8.222 7.786 0.436 18345 1012 1 7 . 1 1 40 40 ARG N N 40 122.500 122.500 119.643 2.857 18345 1013 1 7 . 1 1 40 40 ARG HA H 40 4.592 4.592 3.902 0.690 18345 1014 1 7 . 1 1 40 40 ARG H H 40 8.292 8.292 8.638 -0.346 18345 1015 1 7 . 1 1 41 41 CYS N N 41 120.100 120.100 122.304 -2.204 18345 1016 1 7 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.034 -0.317 18345 1017 1 7 . 1 1 41 41 CYS CB C 41 35.200 35.200 28.072 7.128 18345 1018 1 7 . 1 1 41 41 CYS H H 41 9.320 9.320 8.681 0.639 18345 1019 1 7 . 1 1 42 42 PHE N N 42 130.000 130.000 126.138 3.862 18345 1020 1 7 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.023 -0.538 18345 1021 1 7 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.909 -2.409 18345 1022 1 7 . 1 1 42 42 PHE H H 42 8.910 8.910 9.092 -0.182 18345 1023 1 7 . 1 1 43 43 CYS N N 43 120.900 120.900 120.455 0.445 18345 1024 1 7 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.758 -0.366 18345 1025 1 7 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.833 5.367 18345 1026 1 7 . 1 1 43 43 CYS H H 43 8.819 8.819 9.016 -0.197 18345 1027 1 7 . 1 1 44 44 THR N N 44 115.200 115.200 117.089 -1.889 18345 1028 1 7 . 1 1 44 44 THR HA H 44 5.029 5.029 5.259 -0.230 18345 1029 1 7 . 1 1 44 44 THR H H 44 8.420 8.420 9.162 -0.742 18345 1030 1 7 . 1 1 45 45 THR N N 45 116.900 116.900 117.351 -0.451 18345 1031 1 7 . 1 1 45 45 THR HA H 45 4.849 4.849 4.725 0.124 18345 1032 1 7 . 1 1 45 45 THR H H 45 8.538 8.538 8.902 -0.364 18345 1033 1 7 . 1 1 46 46 HIS N N 46 121.800 121.800 119.952 1.848 18345 1034 1 7 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.702 0.369 18345 1035 1 7 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.102 -0.402 18345 1036 1 7 . 1 1 46 46 HIS H H 46 8.548 8.548 8.336 0.212 18345 1037 1 8 . 1 1 2 2 THR N N 2 118.700 118.700 119.276 -0.576 18345 1038 1 8 . 1 1 2 2 THR HA H 2 4.847 4.847 4.898 -0.051 18345 1039 1 8 . 1 1 2 2 THR H H 2 8.842 8.842 7.882 0.960 18345 1040 1 8 . 1 1 3 3 CYS N N 3 125.400 125.400 127.126 -1.726 18345 1041 1 8 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.788 0.177 18345 1042 1 8 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.184 11.516 18345 1043 1 8 . 1 1 3 3 CYS H H 3 8.950 8.950 9.084 -0.134 18345 1044 1 8 . 1 1 4 4 GLU N N 4 120.200 120.200 124.264 -4.064 18345 1045 1 8 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.555 0.015 18345 1046 1 8 . 1 1 4 4 GLU H H 4 8.550 8.550 8.775 -0.225 18345 1047 1 8 . 1 1 5 5 SER N N 5 116.000 116.000 119.647 -3.647 18345 1048 1 8 . 1 1 5 5 SER HA H 5 4.660 4.660 4.748 -0.088 18345 1049 1 8 . 1 1 5 5 SER H H 5 8.748 8.748 8.864 -0.116 18345 1050 1 8 . 1 1 6 6 GLN N N 6 127.200 127.200 119.145 8.055 18345 1051 1 8 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.105 -0.747 18345 1052 1 8 . 1 1 6 6 GLN H H 6 8.993 8.993 8.330 0.663 18345 1053 1 8 . 1 1 7 7 SER N N 7 119.400 119.400 118.922 0.478 18345 1054 1 8 . 1 1 7 7 SER HA H 7 4.291 4.291 4.552 -0.261 18345 1055 1 8 . 1 1 7 7 SER H H 7 8.165 8.165 8.298 -0.133 18345 1056 1 8 . 1 1 8 8 HIS N N 8 128.400 128.400 122.440 5.960 18345 1057 1 8 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.824 -0.016 18345 1058 1 8 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.282 -0.182 18345 1059 1 8 . 1 1 8 8 HIS H H 8 10.500 10.500 8.371 2.129 18345 1060 1 8 . 1 1 9 9 LYS N N 9 119.100 119.100 119.330 -0.230 18345 1061 1 8 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.371 -0.087 18345 1062 1 8 . 1 1 9 9 LYS H H 9 8.401 8.401 7.502 0.899 18345 1063 1 8 . 1 1 10 10 PHE N N 10 121.700 121.700 120.831 0.869 18345 1064 1 8 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.553 -0.589 18345 1065 1 8 . 1 1 10 10 PHE CB C 10 39.000 39.000 41.028 -2.028 18345 1066 1 8 . 1 1 10 10 PHE H H 10 8.324 8.324 7.728 0.596 18345 1067 1 8 . 1 1 11 11 LYS N N 11 129.000 129.000 122.601 6.399 18345 1068 1 8 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.136 0.496 18345 1069 1 8 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.311 3.788 18345 1070 1 8 . 1 1 11 11 LYS H H 11 7.905 7.905 7.213 0.692 18345 1071 1 8 . 1 1 12 12 GLY N N 12 110.000 110.000 114.900 -4.900 18345 1072 1 8 . 1 1 12 12 GLY H H 12 8.425 8.425 8.022 0.403 18345 1073 1 8 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.430 0.100 18345 1074 1 8 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.516 -0.616 18345 1075 1 8 . 1 1 14 14 CYS N N 14 125.200 125.200 111.603 13.597 18345 1076 1 8 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.850 -0.122 18345 1077 1 8 . 1 1 14 14 CYS CB C 14 33.100 33.100 30.074 3.026 18345 1078 1 8 . 1 1 14 14 CYS H H 14 8.626 8.626 7.745 0.881 18345 1079 1 8 . 1 1 15 15 ALA N N 15 130.100 130.100 124.128 5.972 18345 1080 1 8 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.753 -0.167 18345 1081 1 8 . 1 1 15 15 ALA H H 15 8.735 8.735 8.806 -0.071 18345 1082 1 8 . 1 1 16 16 SER N N 16 112.400 112.400 112.003 0.397 18345 1083 1 8 . 1 1 16 16 SER HA H 16 4.812 4.812 4.592 0.220 18345 1084 1 8 . 1 1 16 16 SER H H 16 7.673 7.673 7.870 -0.197 18345 1085 1 8 . 1 1 17 17 ASP N N 17 130.800 130.800 127.693 3.107 18345 1086 1 8 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.242 0.098 18345 1087 1 8 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.758 -0.558 18345 1088 1 8 . 1 1 17 17 ASP H H 17 9.211 9.211 8.889 0.322 18345 1089 1 8 . 1 1 18 18 HIS N N 18 117.100 117.100 119.362 -2.262 18345 1090 1 8 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.123 0.308 18345 1091 1 8 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.256 -2.156 18345 1092 1 8 . 1 1 18 18 HIS H H 18 8.714 8.714 7.895 0.819 18345 1093 1 8 . 1 1 19 19 ASN N N 19 119.300 119.300 118.334 0.966 18345 1094 1 8 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.379 0.211 18345 1095 1 8 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.331 -0.131 18345 1096 1 8 . 1 1 19 19 ASN H H 19 8.001 8.001 8.111 -0.110 18345 1097 1 8 . 1 1 20 20 CYS N N 20 117.500 117.500 118.966 -1.466 18345 1098 1 8 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.687 0.824 18345 1099 1 8 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.914 10.486 18345 1100 1 8 . 1 1 20 20 CYS H H 20 7.646 7.646 8.227 -0.581 18345 1101 1 8 . 1 1 21 21 ALA N N 21 121.700 121.700 123.176 -1.476 18345 1102 1 8 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.930 -0.353 18345 1103 1 8 . 1 1 21 21 ALA H H 21 8.851 8.851 8.178 0.673 18345 1104 1 8 . 1 1 22 22 SER N N 22 112.200 112.200 114.516 -2.316 18345 1105 1 8 . 1 1 22 22 SER HA H 22 4.212 4.212 3.968 0.244 18345 1106 1 8 . 1 1 22 22 SER H H 22 8.040 8.040 7.852 0.188 18345 1107 1 8 . 1 1 23 23 VAL N N 23 123.400 123.400 121.938 1.462 18345 1108 1 8 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.744 0.098 18345 1109 1 8 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.867 1.133 18345 1110 1 8 . 1 1 23 23 VAL H H 23 7.940 7.940 8.374 -0.434 18345 1111 1 8 . 1 1 24 24 CYS N N 24 121.400 121.400 119.974 1.426 18345 1112 1 8 . 1 1 24 24 CYS HA H 24 4.714 4.714 3.944 0.770 18345 1113 1 8 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.831 12.569 18345 1114 1 8 . 1 1 24 24 CYS H H 24 9.188 9.188 8.258 0.930 18345 1115 1 8 . 1 1 25 25 GLN N N 25 120.500 120.500 118.121 2.379 18345 1116 1 8 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.928 2.172 18345 1117 1 8 . 1 1 25 25 GLN H H 25 8.414 8.414 8.536 -0.122 18345 1118 1 8 . 1 1 26 26 THR N N 26 114.500 114.500 110.381 4.119 18345 1119 1 8 . 1 1 26 26 THR HA H 26 4.527 4.527 4.118 0.409 18345 1120 1 8 . 1 1 26 26 THR H H 26 8.084 8.084 7.899 0.185 18345 1121 1 8 . 1 1 27 27 GLU N N 27 122.100 122.100 120.492 1.608 18345 1122 1 8 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.277 0.164 18345 1123 1 8 . 1 1 27 27 GLU H H 27 7.705 7.705 7.864 -0.159 18345 1124 1 8 . 1 1 28 28 ARG N N 28 109.500 109.500 116.985 -7.485 18345 1125 1 8 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.178 -0.255 18345 1126 1 8 . 1 1 28 28 ARG H H 28 7.817 7.817 7.958 -0.141 18345 1127 1 8 . 1 1 29 29 PHE N N 29 117.700 117.700 121.787 -4.087 18345 1128 1 8 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.436 0.550 18345 1129 1 8 . 1 1 29 29 PHE H H 29 7.945 7.945 8.621 -0.676 18345 1130 1 8 . 1 1 30 30 SER N N 30 113.100 113.100 117.066 -3.966 18345 1131 1 8 . 1 1 30 30 SER HA H 30 4.590 4.590 4.696 -0.106 18345 1132 1 8 . 1 1 30 30 SER H H 30 8.660 8.660 8.114 0.546 18345 1133 1 8 . 1 1 31 31 GLY N N 31 107.500 107.500 111.091 -3.591 18345 1134 1 8 . 1 1 31 31 GLY H H 31 7.746 7.746 8.521 -0.775 18345 1135 1 8 . 1 1 32 32 GLY N N 32 107.300 107.300 106.263 1.037 18345 1136 1 8 . 1 1 32 32 GLY H H 32 7.985 7.985 8.279 -0.294 18345 1137 1 8 . 1 1 33 33 ARG N N 33 115.400 115.400 115.648 -0.248 18345 1138 1 8 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.682 -0.269 18345 1139 1 8 . 1 1 33 33 ARG CB C 33 32.800 32.800 32.911 -0.111 18345 1140 1 8 . 1 1 33 33 ARG H H 33 8.935 8.935 8.756 0.179 18345 1141 1 8 . 1 1 34 34 CYS N N 34 120.200 120.200 120.115 0.085 18345 1142 1 8 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.647 -0.212 18345 1143 1 8 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.785 8.915 18345 1144 1 8 . 1 1 34 34 CYS H H 34 8.831 8.831 9.084 -0.253 18345 1145 1 8 . 1 1 35 35 ARG N N 35 121.700 121.700 125.640 -3.940 18345 1146 1 8 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.684 0.006 18345 1147 1 8 . 1 1 35 35 ARG H H 35 9.507 9.507 9.314 0.193 18345 1148 1 8 . 1 1 36 36 GLY N N 36 109.200 109.200 109.986 -0.786 18345 1149 1 8 . 1 1 36 36 GLY H H 36 8.466 8.466 7.824 0.642 18345 1150 1 8 . 1 1 37 37 PHE N N 37 121.700 121.700 119.357 2.343 18345 1151 1 8 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.352 0.069 18345 1152 1 8 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.829 -0.229 18345 1153 1 8 . 1 1 37 37 PHE H H 37 8.530 8.530 8.080 0.450 18345 1154 1 8 . 1 1 38 38 ARG N N 38 118.500 118.500 119.107 -0.607 18345 1155 1 8 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.268 -0.473 18345 1156 1 8 . 1 1 38 38 ARG H H 38 8.023 8.023 8.355 -0.332 18345 1157 1 8 . 1 1 39 39 ARG N N 39 117.500 117.500 117.212 0.288 18345 1158 1 8 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.039 0.123 18345 1159 1 8 . 1 1 39 39 ARG H H 39 8.222 8.222 7.877 0.345 18345 1160 1 8 . 1 1 40 40 ARG N N 40 122.500 122.500 119.056 3.444 18345 1161 1 8 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.753 -0.161 18345 1162 1 8 . 1 1 40 40 ARG H H 40 8.292 8.292 8.362 -0.070 18345 1163 1 8 . 1 1 41 41 CYS N N 41 120.100 120.100 122.482 -2.382 18345 1164 1 8 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.998 -0.281 18345 1165 1 8 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.976 9.224 18345 1166 1 8 . 1 1 41 41 CYS H H 41 9.320 9.320 8.356 0.964 18345 1167 1 8 . 1 1 42 42 PHE N N 42 130.000 130.000 127.438 2.562 18345 1168 1 8 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.969 -0.484 18345 1169 1 8 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.167 -1.667 18345 1170 1 8 . 1 1 42 42 PHE H H 42 8.910 8.910 9.132 -0.222 18345 1171 1 8 . 1 1 43 43 CYS N N 43 120.900 120.900 120.081 0.819 18345 1172 1 8 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.257 0.135 18345 1173 1 8 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.758 5.442 18345 1174 1 8 . 1 1 43 43 CYS H H 43 8.819 8.819 8.720 0.099 18345 1175 1 8 . 1 1 44 44 THR N N 44 115.200 115.200 117.617 -2.417 18345 1176 1 8 . 1 1 44 44 THR HA H 44 5.029 5.029 5.366 -0.337 18345 1177 1 8 . 1 1 44 44 THR H H 44 8.420 8.420 8.865 -0.445 18345 1178 1 8 . 1 1 45 45 THR N N 45 116.900 116.900 118.558 -1.658 18345 1179 1 8 . 1 1 45 45 THR HA H 45 4.849 4.849 4.786 0.063 18345 1180 1 8 . 1 1 45 45 THR H H 45 8.538 8.538 9.116 -0.578 18345 1181 1 8 . 1 1 46 46 HIS N N 46 121.800 121.800 122.298 -0.498 18345 1182 1 8 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.229 -0.158 18345 1183 1 8 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.386 -1.686 18345 1184 1 8 . 1 1 46 46 HIS H H 46 8.548 8.548 8.650 -0.102 18345 1185 1 9 . 1 1 2 2 THR N N 2 118.700 118.700 122.340 -3.640 18345 1186 1 9 . 1 1 2 2 THR HA H 2 4.847 4.847 5.223 -0.376 18345 1187 1 9 . 1 1 2 2 THR H H 2 8.842 8.842 8.395 0.447 18345 1188 1 9 . 1 1 3 3 CYS N N 3 125.400 125.400 126.024 -0.624 18345 1189 1 9 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.942 0.023 18345 1190 1 9 . 1 1 3 3 CYS CB C 3 41.700 41.700 31.015 10.685 18345 1191 1 9 . 1 1 3 3 CYS H H 3 8.950 8.950 9.118 -0.168 18345 1192 1 9 . 1 1 4 4 GLU N N 4 120.200 120.200 121.687 -1.487 18345 1193 1 9 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.722 -0.152 18345 1194 1 9 . 1 1 4 4 GLU H H 4 8.550 8.550 8.653 -0.103 18345 1195 1 9 . 1 1 5 5 SER N N 5 116.000 116.000 116.990 -0.990 18345 1196 1 9 . 1 1 5 5 SER HA H 5 4.660 4.660 4.787 -0.127 18345 1197 1 9 . 1 1 5 5 SER H H 5 8.748 8.748 8.584 0.164 18345 1198 1 9 . 1 1 6 6 GLN N N 6 127.200 127.200 120.759 6.441 18345 1199 1 9 . 1 1 6 6 GLN HA H 6 3.358 3.358 3.906 -0.548 18345 1200 1 9 . 1 1 6 6 GLN H H 6 8.993 8.993 8.323 0.670 18345 1201 1 9 . 1 1 7 7 SER N N 7 119.400 119.400 121.443 -2.043 18345 1202 1 9 . 1 1 7 7 SER HA H 7 4.291 4.291 4.808 -0.517 18345 1203 1 9 . 1 1 7 7 SER H H 7 8.165 8.165 8.694 -0.529 18345 1204 1 9 . 1 1 8 8 HIS N N 8 128.400 128.400 126.174 2.226 18345 1205 1 9 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.546 0.262 18345 1206 1 9 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.996 -0.896 18345 1207 1 9 . 1 1 8 8 HIS H H 8 10.500 10.500 8.958 1.542 18345 1208 1 9 . 1 1 9 9 LYS N N 9 119.100 119.100 119.364 -0.264 18345 1209 1 9 . 1 1 9 9 LYS HA H 9 4.284 4.284 3.992 0.292 18345 1210 1 9 . 1 1 9 9 LYS H H 9 8.401 8.401 8.168 0.233 18345 1211 1 9 . 1 1 10 10 PHE N N 10 121.700 121.700 121.162 0.538 18345 1212 1 9 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.396 -0.432 18345 1213 1 9 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.959 -0.959 18345 1214 1 9 . 1 1 10 10 PHE H H 10 8.324 8.324 7.575 0.749 18345 1215 1 9 . 1 1 11 11 LYS N N 11 129.000 129.000 127.809 1.191 18345 1216 1 9 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.265 0.367 18345 1217 1 9 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.993 3.107 18345 1218 1 9 . 1 1 11 11 LYS H H 11 7.905 7.905 7.959 -0.054 18345 1219 1 9 . 1 1 12 12 GLY N N 12 110.000 110.000 113.539 -3.539 18345 1220 1 9 . 1 1 12 12 GLY H H 12 8.425 8.425 8.178 0.247 18345 1221 1 9 . 1 1 13 13 PRO HA H 13 4.530 4.530 5.131 -0.601 18345 1222 1 9 . 1 1 13 13 PRO CB C 13 31.900 31.900 33.034 -1.134 18345 1223 1 9 . 1 1 14 14 CYS N N 14 125.200 125.200 116.045 9.155 18345 1224 1 9 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.709 0.019 18345 1225 1 9 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.704 8.396 18345 1226 1 9 . 1 1 14 14 CYS H H 14 8.626 8.626 8.456 0.170 18345 1227 1 9 . 1 1 15 15 ALA N N 15 130.100 130.100 127.755 2.345 18345 1228 1 9 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.160 0.426 18345 1229 1 9 . 1 1 15 15 ALA H H 15 8.735 8.735 8.557 0.178 18345 1230 1 9 . 1 1 16 16 SER N N 16 112.400 112.400 112.317 0.083 18345 1231 1 9 . 1 1 16 16 SER HA H 16 4.812 4.812 4.707 0.104 18345 1232 1 9 . 1 1 16 16 SER H H 16 7.673 7.673 7.907 -0.234 18345 1233 1 9 . 1 1 17 17 ASP N N 17 130.800 130.800 126.637 4.163 18345 1234 1 9 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.229 0.112 18345 1235 1 9 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.640 -0.440 18345 1236 1 9 . 1 1 17 17 ASP H H 17 9.211 9.211 8.973 0.238 18345 1237 1 9 . 1 1 18 18 HIS N N 18 117.100 117.100 118.903 -1.803 18345 1238 1 9 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.256 0.175 18345 1239 1 9 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.910 -1.810 18345 1240 1 9 . 1 1 18 18 HIS H H 18 8.714 8.714 8.511 0.203 18345 1241 1 9 . 1 1 19 19 ASN N N 19 119.300 119.300 117.576 1.724 18345 1242 1 9 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.397 0.193 18345 1243 1 9 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.723 0.477 18345 1244 1 9 . 1 1 19 19 ASN H H 19 8.001 8.001 8.486 -0.485 18345 1245 1 9 . 1 1 20 20 CYS N N 20 117.500 117.500 120.426 -2.926 18345 1246 1 9 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.098 1.413 18345 1247 1 9 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.965 10.435 18345 1248 1 9 . 1 1 20 20 CYS H H 20 7.646 7.646 7.801 -0.155 18345 1249 1 9 . 1 1 21 21 ALA N N 21 121.700 121.700 122.890 -1.190 18345 1250 1 9 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.751 -0.174 18345 1251 1 9 . 1 1 21 21 ALA H H 21 8.851 8.851 8.459 0.392 18345 1252 1 9 . 1 1 22 22 SER N N 22 112.200 112.200 114.531 -2.331 18345 1253 1 9 . 1 1 22 22 SER HA H 22 4.212 4.212 4.075 0.137 18345 1254 1 9 . 1 1 22 22 SER H H 22 8.040 8.040 7.832 0.208 18345 1255 1 9 . 1 1 23 23 VAL N N 23 123.400 123.400 122.708 0.692 18345 1256 1 9 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.693 0.149 18345 1257 1 9 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.642 1.358 18345 1258 1 9 . 1 1 23 23 VAL H H 23 7.940 7.940 8.124 -0.184 18345 1259 1 9 . 1 1 24 24 CYS N N 24 121.400 121.400 120.432 0.968 18345 1260 1 9 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.133 0.581 18345 1261 1 9 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.932 12.468 18345 1262 1 9 . 1 1 24 24 CYS H H 24 9.188 9.188 8.137 1.051 18345 1263 1 9 . 1 1 25 25 GLN N N 25 120.500 120.500 118.278 2.222 18345 1264 1 9 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.810 2.290 18345 1265 1 9 . 1 1 25 25 GLN H H 25 8.414 8.414 8.501 -0.087 18345 1266 1 9 . 1 1 26 26 THR N N 26 114.500 114.500 109.927 4.573 18345 1267 1 9 . 1 1 26 26 THR HA H 26 4.527 4.527 4.175 0.352 18345 1268 1 9 . 1 1 26 26 THR H H 26 8.084 8.084 7.811 0.273 18345 1269 1 9 . 1 1 27 27 GLU N N 27 122.100 122.100 120.212 1.888 18345 1270 1 9 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.249 0.192 18345 1271 1 9 . 1 1 27 27 GLU H H 27 7.705 7.705 7.997 -0.292 18345 1272 1 9 . 1 1 28 28 ARG N N 28 109.500 109.500 117.411 -7.911 18345 1273 1 9 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.437 -0.514 18345 1274 1 9 . 1 1 28 28 ARG H H 28 7.817 7.817 8.046 -0.229 18345 1275 1 9 . 1 1 29 29 PHE N N 29 117.700 117.700 125.837 -8.137 18345 1276 1 9 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.371 0.615 18345 1277 1 9 . 1 1 29 29 PHE H H 29 7.945 7.945 8.822 -0.877 18345 1278 1 9 . 1 1 30 30 SER N N 30 113.100 113.100 122.564 -9.464 18345 1279 1 9 . 1 1 30 30 SER HA H 30 4.590 4.590 4.625 -0.035 18345 1280 1 9 . 1 1 30 30 SER H H 30 8.660 8.660 7.473 1.187 18345 1281 1 9 . 1 1 31 31 GLY N N 31 107.500 107.500 110.932 -3.432 18345 1282 1 9 . 1 1 31 31 GLY H H 31 7.746 7.746 8.297 -0.551 18345 1283 1 9 . 1 1 32 32 GLY N N 32 107.300 107.300 105.519 1.781 18345 1284 1 9 . 1 1 32 32 GLY H H 32 7.985 7.985 8.014 -0.029 18345 1285 1 9 . 1 1 33 33 ARG N N 33 115.400 115.400 122.661 -7.261 18345 1286 1 9 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.732 -0.319 18345 1287 1 9 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.233 -1.433 18345 1288 1 9 . 1 1 33 33 ARG H H 33 8.935 8.935 8.795 0.140 18345 1289 1 9 . 1 1 34 34 CYS N N 34 120.200 120.200 122.462 -2.262 18345 1290 1 9 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.560 -0.125 18345 1291 1 9 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.478 9.222 18345 1292 1 9 . 1 1 34 34 CYS H H 34 8.831 8.831 8.683 0.148 18345 1293 1 9 . 1 1 35 35 ARG N N 35 121.700 121.700 125.974 -4.274 18345 1294 1 9 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.401 0.289 18345 1295 1 9 . 1 1 35 35 ARG H H 35 9.507 9.507 8.984 0.523 18345 1296 1 9 . 1 1 36 36 GLY N N 36 109.200 109.200 112.501 -3.301 18345 1297 1 9 . 1 1 36 36 GLY H H 36 8.466 8.466 7.757 0.709 18345 1298 1 9 . 1 1 37 37 PHE N N 37 121.700 121.700 120.043 1.657 18345 1299 1 9 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.391 0.030 18345 1300 1 9 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.285 -0.685 18345 1301 1 9 . 1 1 37 37 PHE H H 37 8.530 8.530 8.730 -0.200 18345 1302 1 9 . 1 1 38 38 ARG N N 38 118.500 118.500 118.273 0.227 18345 1303 1 9 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.457 -0.662 18345 1304 1 9 . 1 1 38 38 ARG H H 38 8.023 8.023 7.996 0.027 18345 1305 1 9 . 1 1 39 39 ARG N N 39 117.500 117.500 117.570 -0.070 18345 1306 1 9 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.914 0.248 18345 1307 1 9 . 1 1 39 39 ARG H H 39 8.222 8.222 7.663 0.559 18345 1308 1 9 . 1 1 40 40 ARG N N 40 122.500 122.500 121.312 1.188 18345 1309 1 9 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.730 -0.138 18345 1310 1 9 . 1 1 40 40 ARG H H 40 8.292 8.292 8.113 0.179 18345 1311 1 9 . 1 1 41 41 CYS N N 41 120.100 120.100 124.242 -4.142 18345 1312 1 9 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.899 -0.182 18345 1313 1 9 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.513 9.687 18345 1314 1 9 . 1 1 41 41 CYS H H 41 9.320 9.320 9.111 0.209 18345 1315 1 9 . 1 1 42 42 PHE N N 42 130.000 130.000 128.085 1.915 18345 1316 1 9 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.290 -0.805 18345 1317 1 9 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.606 -2.106 18345 1318 1 9 . 1 1 42 42 PHE H H 42 8.910 8.910 9.184 -0.274 18345 1319 1 9 . 1 1 43 43 CYS N N 43 120.900 120.900 118.040 2.860 18345 1320 1 9 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.523 -0.131 18345 1321 1 9 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.720 4.480 18345 1322 1 9 . 1 1 43 43 CYS H H 43 8.819 8.819 9.061 -0.242 18345 1323 1 9 . 1 1 44 44 THR N N 44 115.200 115.200 117.230 -2.030 18345 1324 1 9 . 1 1 44 44 THR HA H 44 5.029 5.029 5.241 -0.212 18345 1325 1 9 . 1 1 44 44 THR H H 44 8.420 8.420 8.760 -0.340 18345 1326 1 9 . 1 1 45 45 THR N N 45 116.900 116.900 119.829 -2.929 18345 1327 1 9 . 1 1 45 45 THR HA H 45 4.849 4.849 4.785 0.064 18345 1328 1 9 . 1 1 45 45 THR H H 45 8.538 8.538 9.119 -0.581 18345 1329 1 9 . 1 1 46 46 HIS N N 46 121.800 121.800 123.565 -1.765 18345 1330 1 9 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.094 -0.023 18345 1331 1 9 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.354 -1.654 18345 1332 1 9 . 1 1 46 46 HIS H H 46 8.548 8.548 8.716 -0.168 18345 1333 1 10 . 1 1 2 2 THR N N 2 118.700 118.700 122.480 -3.780 18345 1334 1 10 . 1 1 2 2 THR HA H 2 4.847 4.847 4.832 0.015 18345 1335 1 10 . 1 1 2 2 THR H H 2 8.842 8.842 8.304 0.538 18345 1336 1 10 . 1 1 3 3 CYS N N 3 125.400 125.400 126.918 -1.518 18345 1337 1 10 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.756 0.209 18345 1338 1 10 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.017 11.683 18345 1339 1 10 . 1 1 3 3 CYS H H 3 8.950 8.950 8.650 0.300 18345 1340 1 10 . 1 1 4 4 GLU N N 4 120.200 120.200 125.931 -5.731 18345 1341 1 10 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.666 -0.096 18345 1342 1 10 . 1 1 4 4 GLU H H 4 8.550 8.550 8.781 -0.231 18345 1343 1 10 . 1 1 5 5 SER N N 5 116.000 116.000 120.750 -4.750 18345 1344 1 10 . 1 1 5 5 SER HA H 5 4.660 4.660 4.861 -0.201 18345 1345 1 10 . 1 1 5 5 SER H H 5 8.748 8.748 8.995 -0.247 18345 1346 1 10 . 1 1 6 6 GLN N N 6 127.200 127.200 119.267 7.933 18345 1347 1 10 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.199 -0.841 18345 1348 1 10 . 1 1 6 6 GLN H H 6 8.993 8.993 8.256 0.737 18345 1349 1 10 . 1 1 7 7 SER N N 7 119.400 119.400 120.454 -1.054 18345 1350 1 10 . 1 1 7 7 SER HA H 7 4.291 4.291 4.787 -0.496 18345 1351 1 10 . 1 1 7 7 SER H H 7 8.165 8.165 8.638 -0.473 18345 1352 1 10 . 1 1 8 8 HIS N N 8 128.400 128.400 123.342 5.058 18345 1353 1 10 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.691 0.117 18345 1354 1 10 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.682 -0.582 18345 1355 1 10 . 1 1 8 8 HIS H H 8 10.500 10.500 8.764 1.736 18345 1356 1 10 . 1 1 9 9 LYS N N 9 119.100 119.100 121.233 -2.133 18345 1357 1 10 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.059 0.225 18345 1358 1 10 . 1 1 9 9 LYS H H 9 8.401 8.401 8.039 0.362 18345 1359 1 10 . 1 1 10 10 PHE N N 10 121.700 121.700 121.780 -0.080 18345 1360 1 10 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.535 -0.571 18345 1361 1 10 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.091 -1.091 18345 1362 1 10 . 1 1 10 10 PHE H H 10 8.324 8.324 7.465 0.859 18345 1363 1 10 . 1 1 11 11 LYS N N 11 129.000 129.000 128.933 0.067 18345 1364 1 10 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.264 0.368 18345 1365 1 10 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.644 3.456 18345 1366 1 10 . 1 1 11 11 LYS H H 11 7.905 7.905 8.517 -0.612 18345 1367 1 10 . 1 1 12 12 GLY N N 12 110.000 110.000 112.780 -2.780 18345 1368 1 10 . 1 1 12 12 GLY H H 12 8.425 8.425 7.773 0.652 18345 1369 1 10 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.901 -0.371 18345 1370 1 10 . 1 1 13 13 PRO CB C 13 31.900 31.900 33.089 -1.188 18345 1371 1 10 . 1 1 14 14 CYS N N 14 125.200 125.200 115.367 9.833 18345 1372 1 10 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.606 0.122 18345 1373 1 10 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.763 8.337 18345 1374 1 10 . 1 1 14 14 CYS H H 14 8.626 8.626 8.324 0.302 18345 1375 1 10 . 1 1 15 15 ALA N N 15 130.100 130.100 127.301 2.799 18345 1376 1 10 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.327 0.259 18345 1377 1 10 . 1 1 15 15 ALA H H 15 8.735 8.735 8.596 0.139 18345 1378 1 10 . 1 1 16 16 SER N N 16 112.400 112.400 113.031 -0.631 18345 1379 1 10 . 1 1 16 16 SER HA H 16 4.812 4.812 4.796 0.016 18345 1380 1 10 . 1 1 16 16 SER H H 16 7.673 7.673 7.856 -0.183 18345 1381 1 10 . 1 1 17 17 ASP N N 17 130.800 130.800 127.553 3.247 18345 1382 1 10 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.246 0.094 18345 1383 1 10 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.648 -0.448 18345 1384 1 10 . 1 1 17 17 ASP H H 17 9.211 9.211 8.883 0.328 18345 1385 1 10 . 1 1 18 18 HIS N N 18 117.100 117.100 118.847 -1.747 18345 1386 1 10 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.242 0.189 18345 1387 1 10 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.952 -1.852 18345 1388 1 10 . 1 1 18 18 HIS H H 18 8.714 8.714 8.416 0.298 18345 1389 1 10 . 1 1 19 19 ASN N N 19 119.300 119.300 117.717 1.583 18345 1390 1 10 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.456 0.134 18345 1391 1 10 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.000 0.200 18345 1392 1 10 . 1 1 19 19 ASN H H 19 8.001 8.001 8.539 -0.538 18345 1393 1 10 . 1 1 20 20 CYS N N 20 117.500 117.500 119.570 -2.070 18345 1394 1 10 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.449 1.062 18345 1395 1 10 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.145 10.255 18345 1396 1 10 . 1 1 20 20 CYS H H 20 7.646 7.646 8.117 -0.471 18345 1397 1 10 . 1 1 21 21 ALA N N 21 121.700 121.700 122.889 -1.189 18345 1398 1 10 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.884 -0.307 18345 1399 1 10 . 1 1 21 21 ALA H H 21 8.851 8.851 8.408 0.443 18345 1400 1 10 . 1 1 22 22 SER N N 22 112.200 112.200 114.123 -1.923 18345 1401 1 10 . 1 1 22 22 SER HA H 22 4.212 4.212 3.940 0.272 18345 1402 1 10 . 1 1 22 22 SER H H 22 8.040 8.040 7.741 0.299 18345 1403 1 10 . 1 1 23 23 VAL N N 23 123.400 123.400 122.299 1.101 18345 1404 1 10 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.602 0.240 18345 1405 1 10 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.898 0.102 18345 1406 1 10 . 1 1 23 23 VAL H H 23 7.940 7.940 8.350 -0.410 18345 1407 1 10 . 1 1 24 24 CYS N N 24 121.400 121.400 119.679 1.721 18345 1408 1 10 . 1 1 24 24 CYS HA H 24 4.714 4.714 3.894 0.820 18345 1409 1 10 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.648 12.752 18345 1410 1 10 . 1 1 24 24 CYS H H 24 9.188 9.188 8.194 0.994 18345 1411 1 10 . 1 1 25 25 GLN N N 25 120.500 120.500 117.500 3.000 18345 1412 1 10 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.997 2.103 18345 1413 1 10 . 1 1 25 25 GLN H H 25 8.414 8.414 8.159 0.255 18345 1414 1 10 . 1 1 26 26 THR N N 26 114.500 114.500 112.403 2.097 18345 1415 1 10 . 1 1 26 26 THR HA H 26 4.527 4.527 3.985 0.542 18345 1416 1 10 . 1 1 26 26 THR H H 26 8.084 8.084 7.887 0.197 18345 1417 1 10 . 1 1 27 27 GLU N N 27 122.100 122.100 122.242 -0.142 18345 1418 1 10 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.200 0.241 18345 1419 1 10 . 1 1 27 27 GLU H H 27 7.705 7.705 8.005 -0.300 18345 1420 1 10 . 1 1 28 28 ARG N N 28 109.500 109.500 116.166 -6.666 18345 1421 1 10 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.374 -0.451 18345 1422 1 10 . 1 1 28 28 ARG H H 28 7.817 7.817 8.130 -0.313 18345 1423 1 10 . 1 1 29 29 PHE N N 29 117.700 117.700 121.256 -3.556 18345 1424 1 10 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.347 0.639 18345 1425 1 10 . 1 1 29 29 PHE H H 29 7.945 7.945 8.840 -0.895 18345 1426 1 10 . 1 1 30 30 SER N N 30 113.100 113.100 118.539 -5.439 18345 1427 1 10 . 1 1 30 30 SER HA H 30 4.590 4.590 4.576 0.014 18345 1428 1 10 . 1 1 30 30 SER H H 30 8.660 8.660 7.909 0.751 18345 1429 1 10 . 1 1 31 31 GLY N N 31 107.500 107.500 111.074 -3.574 18345 1430 1 10 . 1 1 31 31 GLY H H 31 7.746 7.746 8.371 -0.625 18345 1431 1 10 . 1 1 32 32 GLY N N 32 107.300 107.300 108.357 -1.057 18345 1432 1 10 . 1 1 32 32 GLY H H 32 7.985 7.985 8.305 -0.320 18345 1433 1 10 . 1 1 33 33 ARG N N 33 115.400 115.400 124.087 -8.687 18345 1434 1 10 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.901 -0.488 18345 1435 1 10 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.304 -1.504 18345 1436 1 10 . 1 1 33 33 ARG H H 33 8.935 8.935 9.133 -0.198 18345 1437 1 10 . 1 1 34 34 CYS N N 34 120.200 120.200 119.467 0.733 18345 1438 1 10 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.484 -0.049 18345 1439 1 10 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.950 7.750 18345 1440 1 10 . 1 1 34 34 CYS H H 34 8.831 8.831 8.625 0.206 18345 1441 1 10 . 1 1 35 35 ARG N N 35 121.700 121.700 127.016 -5.316 18345 1442 1 10 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.536 0.154 18345 1443 1 10 . 1 1 35 35 ARG H H 35 9.507 9.507 9.218 0.289 18345 1444 1 10 . 1 1 36 36 GLY N N 36 109.200 109.200 109.265 -0.065 18345 1445 1 10 . 1 1 36 36 GLY H H 36 8.466 8.466 7.779 0.687 18345 1446 1 10 . 1 1 37 37 PHE N N 37 121.700 121.700 119.761 1.939 18345 1447 1 10 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.500 -0.078 18345 1448 1 10 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.075 -0.475 18345 1449 1 10 . 1 1 37 37 PHE H H 37 8.530 8.530 8.303 0.227 18345 1450 1 10 . 1 1 38 38 ARG N N 38 118.500 118.500 118.874 -0.374 18345 1451 1 10 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.461 -0.666 18345 1452 1 10 . 1 1 38 38 ARG H H 38 8.023 8.023 7.872 0.151 18345 1453 1 10 . 1 1 39 39 ARG N N 39 117.500 117.500 118.343 -0.843 18345 1454 1 10 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.882 0.280 18345 1455 1 10 . 1 1 39 39 ARG H H 39 8.222 8.222 7.730 0.492 18345 1456 1 10 . 1 1 40 40 ARG N N 40 122.500 122.500 118.219 4.281 18345 1457 1 10 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.651 -0.059 18345 1458 1 10 . 1 1 40 40 ARG H H 40 8.292 8.292 7.915 0.377 18345 1459 1 10 . 1 1 41 41 CYS N N 41 120.100 120.100 123.292 -3.192 18345 1460 1 10 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.846 -0.129 18345 1461 1 10 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.702 9.498 18345 1462 1 10 . 1 1 41 41 CYS H H 41 9.320 9.320 9.166 0.154 18345 1463 1 10 . 1 1 42 42 PHE N N 42 130.000 130.000 125.405 4.595 18345 1464 1 10 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.160 -0.675 18345 1465 1 10 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.863 -1.363 18345 1466 1 10 . 1 1 42 42 PHE H H 42 8.910 8.910 9.041 -0.131 18345 1467 1 10 . 1 1 43 43 CYS N N 43 120.900 120.900 120.905 -0.005 18345 1468 1 10 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.634 -0.242 18345 1469 1 10 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.482 5.718 18345 1470 1 10 . 1 1 43 43 CYS H H 43 8.819 8.819 9.024 -0.205 18345 1471 1 10 . 1 1 44 44 THR N N 44 115.200 115.200 117.065 -1.865 18345 1472 1 10 . 1 1 44 44 THR HA H 44 5.029 5.029 5.355 -0.326 18345 1473 1 10 . 1 1 44 44 THR H H 44 8.420 8.420 8.992 -0.572 18345 1474 1 10 . 1 1 45 45 THR N N 45 116.900 116.900 118.669 -1.769 18345 1475 1 10 . 1 1 45 45 THR HA H 45 4.849 4.849 4.605 0.244 18345 1476 1 10 . 1 1 45 45 THR H H 45 8.538 8.538 8.691 -0.153 18345 1477 1 10 . 1 1 46 46 HIS N N 46 121.800 121.800 122.384 -0.584 18345 1478 1 10 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.518 0.553 18345 1479 1 10 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.081 -0.380 18345 1480 1 10 . 1 1 46 46 HIS H H 46 8.548 8.548 8.508 0.040 18345 1481 1 11 . 1 1 2 2 THR N N 2 118.700 118.700 118.554 0.146 18345 1482 1 11 . 1 1 2 2 THR HA H 2 4.847 4.847 4.747 0.100 18345 1483 1 11 . 1 1 2 2 THR H H 2 8.842 8.842 7.749 1.093 18345 1484 1 11 . 1 1 3 3 CYS N N 3 125.400 125.400 126.496 -1.096 18345 1485 1 11 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.834 0.131 18345 1486 1 11 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.232 12.468 18345 1487 1 11 . 1 1 3 3 CYS H H 3 8.950 8.950 9.121 -0.171 18345 1488 1 11 . 1 1 4 4 GLU N N 4 120.200 120.200 124.669 -4.469 18345 1489 1 11 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.576 -0.006 18345 1490 1 11 . 1 1 4 4 GLU H H 4 8.550 8.550 8.640 -0.090 18345 1491 1 11 . 1 1 5 5 SER N N 5 116.000 116.000 114.866 1.134 18345 1492 1 11 . 1 1 5 5 SER HA H 5 4.660 4.660 4.797 -0.137 18345 1493 1 11 . 1 1 5 5 SER H H 5 8.748 8.748 8.964 -0.216 18345 1494 1 11 . 1 1 6 6 GLN N N 6 127.200 127.200 120.129 7.071 18345 1495 1 11 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.212 -0.854 18345 1496 1 11 . 1 1 6 6 GLN H H 6 8.993 8.993 8.425 0.568 18345 1497 1 11 . 1 1 7 7 SER N N 7 119.400 119.400 122.821 -3.421 18345 1498 1 11 . 1 1 7 7 SER HA H 7 4.291 4.291 4.607 -0.316 18345 1499 1 11 . 1 1 7 7 SER H H 7 8.165 8.165 8.577 -0.412 18345 1500 1 11 . 1 1 8 8 HIS N N 8 128.400 128.400 122.267 6.133 18345 1501 1 11 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.707 0.101 18345 1502 1 11 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.341 -1.241 18345 1503 1 11 . 1 1 8 8 HIS H H 8 10.500 10.500 7.873 2.627 18345 1504 1 11 . 1 1 9 9 LYS N N 9 119.100 119.100 120.833 -1.733 18345 1505 1 11 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.121 0.163 18345 1506 1 11 . 1 1 9 9 LYS H H 9 8.401 8.401 7.902 0.499 18345 1507 1 11 . 1 1 10 10 PHE N N 10 121.700 121.700 121.582 0.118 18345 1508 1 11 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.373 -0.409 18345 1509 1 11 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.503 -0.503 18345 1510 1 11 . 1 1 10 10 PHE H H 10 8.324 8.324 8.151 0.173 18345 1511 1 11 . 1 1 11 11 LYS N N 11 129.000 129.000 127.922 1.078 18345 1512 1 11 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.047 0.585 18345 1513 1 11 . 1 1 11 11 LYS CB C 11 35.100 35.100 30.524 4.576 18345 1514 1 11 . 1 1 11 11 LYS H H 11 7.905 7.905 8.047 -0.142 18345 1515 1 11 . 1 1 12 12 GLY N N 12 110.000 110.000 113.451 -3.451 18345 1516 1 11 . 1 1 12 12 GLY H H 12 8.425 8.425 7.817 0.608 18345 1517 1 11 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.554 -0.024 18345 1518 1 11 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.614 -0.714 18345 1519 1 11 . 1 1 14 14 CYS N N 14 125.200 125.200 121.393 3.807 18345 1520 1 11 . 1 1 14 14 CYS HA H 14 4.728 4.728 3.979 0.749 18345 1521 1 11 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.821 7.279 18345 1522 1 11 . 1 1 14 14 CYS H H 14 8.626 8.626 8.532 0.094 18345 1523 1 11 . 1 1 15 15 ALA N N 15 130.100 130.100 129.823 0.277 18345 1524 1 11 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.197 0.389 18345 1525 1 11 . 1 1 15 15 ALA H H 15 8.735 8.735 8.373 0.362 18345 1526 1 11 . 1 1 16 16 SER N N 16 112.400 112.400 111.100 1.300 18345 1527 1 11 . 1 1 16 16 SER HA H 16 4.812 4.812 4.666 0.146 18345 1528 1 11 . 1 1 16 16 SER H H 16 7.673 7.673 7.601 0.072 18345 1529 1 11 . 1 1 17 17 ASP N N 17 130.800 130.800 127.797 3.003 18345 1530 1 11 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.177 0.163 18345 1531 1 11 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.809 -0.609 18345 1532 1 11 . 1 1 17 17 ASP H H 17 9.211 9.211 8.881 0.330 18345 1533 1 11 . 1 1 18 18 HIS N N 18 117.100 117.100 116.403 0.697 18345 1534 1 11 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.186 0.245 18345 1535 1 11 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.815 -1.715 18345 1536 1 11 . 1 1 18 18 HIS H H 18 8.714 8.714 8.479 0.235 18345 1537 1 11 . 1 1 19 19 ASN N N 19 119.300 119.300 118.289 1.011 18345 1538 1 11 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.527 0.063 18345 1539 1 11 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.303 -0.103 18345 1540 1 11 . 1 1 19 19 ASN H H 19 8.001 8.001 7.540 0.461 18345 1541 1 11 . 1 1 20 20 CYS N N 20 117.500 117.500 119.872 -2.372 18345 1542 1 11 . 1 1 20 20 CYS HA H 20 4.511 4.511 4.030 0.481 18345 1543 1 11 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.145 10.255 18345 1544 1 11 . 1 1 20 20 CYS H H 20 7.646 7.646 7.923 -0.277 18345 1545 1 11 . 1 1 21 21 ALA N N 21 121.700 121.700 123.194 -1.494 18345 1546 1 11 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.846 -0.269 18345 1547 1 11 . 1 1 21 21 ALA H H 21 8.851 8.851 8.743 0.108 18345 1548 1 11 . 1 1 22 22 SER N N 22 112.200 112.200 114.887 -2.687 18345 1549 1 11 . 1 1 22 22 SER HA H 22 4.212 4.212 4.222 -0.010 18345 1550 1 11 . 1 1 22 22 SER H H 22 8.040 8.040 7.809 0.231 18345 1551 1 11 . 1 1 23 23 VAL N N 23 123.400 123.400 122.589 0.811 18345 1552 1 11 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.744 0.098 18345 1553 1 11 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.770 1.230 18345 1554 1 11 . 1 1 23 23 VAL H H 23 7.940 7.940 8.348 -0.408 18345 1555 1 11 . 1 1 24 24 CYS N N 24 121.400 121.400 119.563 1.837 18345 1556 1 11 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.021 0.693 18345 1557 1 11 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.997 12.403 18345 1558 1 11 . 1 1 24 24 CYS H H 24 9.188 9.188 8.200 0.988 18345 1559 1 11 . 1 1 25 25 GLN N N 25 120.500 120.500 117.641 2.859 18345 1560 1 11 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.003 2.098 18345 1561 1 11 . 1 1 25 25 GLN H H 25 8.414 8.414 8.319 0.095 18345 1562 1 11 . 1 1 26 26 THR N N 26 114.500 114.500 111.339 3.161 18345 1563 1 11 . 1 1 26 26 THR HA H 26 4.527 4.527 4.166 0.361 18345 1564 1 11 . 1 1 26 26 THR H H 26 8.084 8.084 8.043 0.041 18345 1565 1 11 . 1 1 27 27 GLU N N 27 122.100 122.100 121.084 1.016 18345 1566 1 11 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.173 0.268 18345 1567 1 11 . 1 1 27 27 GLU H H 27 7.705 7.705 8.207 -0.502 18345 1568 1 11 . 1 1 28 28 ARG N N 28 109.500 109.500 117.001 -7.501 18345 1569 1 11 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.482 -0.559 18345 1570 1 11 . 1 1 28 28 ARG H H 28 7.817 7.817 7.520 0.297 18345 1571 1 11 . 1 1 29 29 PHE N N 29 117.700 117.700 123.181 -5.481 18345 1572 1 11 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.504 0.482 18345 1573 1 11 . 1 1 29 29 PHE H H 29 7.945 7.945 8.794 -0.849 18345 1574 1 11 . 1 1 30 30 SER N N 30 113.100 113.100 121.972 -8.872 18345 1575 1 11 . 1 1 30 30 SER HA H 30 4.590 4.590 4.441 0.149 18345 1576 1 11 . 1 1 30 30 SER H H 30 8.660 8.660 7.723 0.937 18345 1577 1 11 . 1 1 31 31 GLY N N 31 107.500 107.500 109.931 -2.431 18345 1578 1 11 . 1 1 31 31 GLY H H 31 7.746 7.746 8.328 -0.582 18345 1579 1 11 . 1 1 32 32 GLY N N 32 107.300 107.300 108.599 -1.299 18345 1580 1 11 . 1 1 32 32 GLY H H 32 7.985 7.985 8.155 -0.170 18345 1581 1 11 . 1 1 33 33 ARG N N 33 115.400 115.400 121.694 -6.294 18345 1582 1 11 . 1 1 33 33 ARG HA H 33 4.413 4.413 5.130 -0.717 18345 1583 1 11 . 1 1 33 33 ARG CB C 33 32.800 32.800 33.887 -1.087 18345 1584 1 11 . 1 1 33 33 ARG H H 33 8.935 8.935 8.636 0.299 18345 1585 1 11 . 1 1 34 34 CYS N N 34 120.200 120.200 123.317 -3.117 18345 1586 1 11 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.170 0.265 18345 1587 1 11 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.520 7.180 18345 1588 1 11 . 1 1 34 34 CYS H H 34 8.831 8.831 8.961 -0.130 18345 1589 1 11 . 1 1 35 35 ARG N N 35 121.700 121.700 124.379 -2.679 18345 1590 1 11 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.173 0.517 18345 1591 1 11 . 1 1 35 35 ARG H H 35 9.507 9.507 8.773 0.734 18345 1592 1 11 . 1 1 36 36 GLY N N 36 109.200 109.200 115.417 -6.217 18345 1593 1 11 . 1 1 36 36 GLY H H 36 8.466 8.466 8.410 0.056 18345 1594 1 11 . 1 1 37 37 PHE N N 37 121.700 121.700 120.822 0.878 18345 1595 1 11 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.648 -0.227 18345 1596 1 11 . 1 1 37 37 PHE CB C 37 38.600 38.600 41.629 -3.029 18345 1597 1 11 . 1 1 37 37 PHE H H 37 8.530 8.530 7.970 0.560 18345 1598 1 11 . 1 1 38 38 ARG N N 38 118.500 118.500 120.829 -2.329 18345 1599 1 11 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.859 -1.064 18345 1600 1 11 . 1 1 38 38 ARG H H 38 8.023 8.023 8.361 -0.338 18345 1601 1 11 . 1 1 39 39 ARG N N 39 117.500 117.500 120.416 -2.916 18345 1602 1 11 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.514 -0.352 18345 1603 1 11 . 1 1 39 39 ARG H H 39 8.222 8.222 8.614 -0.392 18345 1604 1 11 . 1 1 40 40 ARG N N 40 122.500 122.500 119.970 2.530 18345 1605 1 11 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.635 -0.043 18345 1606 1 11 . 1 1 40 40 ARG H H 40 8.292 8.292 8.011 0.281 18345 1607 1 11 . 1 1 41 41 CYS N N 41 120.100 120.100 121.851 -1.751 18345 1608 1 11 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.844 -0.127 18345 1609 1 11 . 1 1 41 41 CYS CB C 41 35.200 35.200 28.870 6.330 18345 1610 1 11 . 1 1 41 41 CYS H H 41 9.320 9.320 8.918 0.402 18345 1611 1 11 . 1 1 42 42 PHE N N 42 130.000 130.000 123.488 6.512 18345 1612 1 11 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.118 -0.633 18345 1613 1 11 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.807 -2.307 18345 1614 1 11 . 1 1 42 42 PHE H H 42 8.910 8.910 9.114 -0.204 18345 1615 1 11 . 1 1 43 43 CYS N N 43 120.900 120.900 119.291 1.609 18345 1616 1 11 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.612 -0.221 18345 1617 1 11 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.941 4.259 18345 1618 1 11 . 1 1 43 43 CYS H H 43 8.819 8.819 8.840 -0.021 18345 1619 1 11 . 1 1 44 44 THR N N 44 115.200 115.200 115.687 -0.487 18345 1620 1 11 . 1 1 44 44 THR HA H 44 5.029 5.029 5.444 -0.415 18345 1621 1 11 . 1 1 44 44 THR H H 44 8.420 8.420 9.087 -0.667 18345 1622 1 11 . 1 1 45 45 THR N N 45 116.900 116.900 117.849 -0.949 18345 1623 1 11 . 1 1 45 45 THR HA H 45 4.849 4.849 4.428 0.421 18345 1624 1 11 . 1 1 45 45 THR H H 45 8.538 8.538 9.083 -0.545 18345 1625 1 11 . 1 1 46 46 HIS N N 46 121.800 121.800 121.382 0.418 18345 1626 1 11 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.761 0.310 18345 1627 1 11 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.568 -1.868 18345 1628 1 11 . 1 1 46 46 HIS H H 46 8.548 8.548 8.689 -0.141 18345 1629 1 12 . 1 1 2 2 THR N N 2 118.700 118.700 117.272 1.428 18345 1630 1 12 . 1 1 2 2 THR HA H 2 4.847 4.847 4.972 -0.125 18345 1631 1 12 . 1 1 2 2 THR H H 2 8.842 8.842 8.348 0.494 18345 1632 1 12 . 1 1 3 3 CYS N N 3 125.400 125.400 126.289 -0.889 18345 1633 1 12 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.799 0.166 18345 1634 1 12 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.762 10.938 18345 1635 1 12 . 1 1 3 3 CYS H H 3 8.950 8.950 9.055 -0.105 18345 1636 1 12 . 1 1 4 4 GLU N N 4 120.200 120.200 123.705 -3.505 18345 1637 1 12 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.445 0.125 18345 1638 1 12 . 1 1 4 4 GLU H H 4 8.550 8.550 8.612 -0.062 18345 1639 1 12 . 1 1 5 5 SER N N 5 116.000 116.000 118.894 -2.894 18345 1640 1 12 . 1 1 5 5 SER HA H 5 4.660 4.660 4.871 -0.211 18345 1641 1 12 . 1 1 5 5 SER H H 5 8.748 8.748 9.151 -0.403 18345 1642 1 12 . 1 1 6 6 GLN N N 6 127.200 127.200 119.895 7.305 18345 1643 1 12 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.554 -1.196 18345 1644 1 12 . 1 1 6 6 GLN H H 6 8.993 8.993 8.438 0.555 18345 1645 1 12 . 1 1 7 7 SER N N 7 119.400 119.400 121.110 -1.710 18345 1646 1 12 . 1 1 7 7 SER HA H 7 4.291 4.291 4.774 -0.483 18345 1647 1 12 . 1 1 7 7 SER H H 7 8.165 8.165 8.488 -0.323 18345 1648 1 12 . 1 1 8 8 HIS N N 8 128.400 128.400 125.420 2.980 18345 1649 1 12 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.570 0.238 18345 1650 1 12 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.461 -1.361 18345 1651 1 12 . 1 1 8 8 HIS H H 8 10.500 10.500 8.923 1.577 18345 1652 1 12 . 1 1 9 9 LYS N N 9 119.100 119.100 118.725 0.375 18345 1653 1 12 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.122 0.162 18345 1654 1 12 . 1 1 9 9 LYS H H 9 8.401 8.401 8.193 0.208 18345 1655 1 12 . 1 1 10 10 PHE N N 10 121.700 121.700 119.494 2.206 18345 1656 1 12 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.346 -0.382 18345 1657 1 12 . 1 1 10 10 PHE CB C 10 39.000 39.000 38.533 0.467 18345 1658 1 12 . 1 1 10 10 PHE H H 10 8.324 8.324 7.816 0.508 18345 1659 1 12 . 1 1 11 11 LYS N N 11 129.000 129.000 129.058 -0.058 18345 1660 1 12 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.232 0.400 18345 1661 1 12 . 1 1 11 11 LYS CB C 11 35.100 35.100 33.362 1.738 18345 1662 1 12 . 1 1 11 11 LYS H H 11 7.905 7.905 7.967 -0.062 18345 1663 1 12 . 1 1 12 12 GLY N N 12 110.000 110.000 113.046 -3.046 18345 1664 1 12 . 1 1 12 12 GLY H H 12 8.425 8.425 8.054 0.371 18345 1665 1 12 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.863 -0.333 18345 1666 1 12 . 1 1 13 13 PRO CB C 13 31.900 31.900 33.169 -1.269 18345 1667 1 12 . 1 1 14 14 CYS N N 14 125.200 125.200 119.589 5.611 18345 1668 1 12 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.476 0.252 18345 1669 1 12 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.595 8.505 18345 1670 1 12 . 1 1 14 14 CYS H H 14 8.626 8.626 7.959 0.667 18345 1671 1 12 . 1 1 15 15 ALA N N 15 130.100 130.100 129.591 0.509 18345 1672 1 12 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.105 0.481 18345 1673 1 12 . 1 1 15 15 ALA H H 15 8.735 8.735 8.498 0.237 18345 1674 1 12 . 1 1 16 16 SER N N 16 112.400 112.400 111.450 0.950 18345 1675 1 12 . 1 1 16 16 SER HA H 16 4.812 4.812 4.506 0.306 18345 1676 1 12 . 1 1 16 16 SER H H 16 7.673 7.673 7.666 0.007 18345 1677 1 12 . 1 1 17 17 ASP N N 17 130.800 130.800 130.071 0.729 18345 1678 1 12 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.254 0.086 18345 1679 1 12 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.432 -0.232 18345 1680 1 12 . 1 1 17 17 ASP H H 17 9.211 9.211 8.838 0.373 18345 1681 1 12 . 1 1 18 18 HIS N N 18 117.100 117.100 119.715 -2.615 18345 1682 1 12 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.278 0.153 18345 1683 1 12 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.105 -2.005 18345 1684 1 12 . 1 1 18 18 HIS H H 18 8.714 8.714 7.805 0.909 18345 1685 1 12 . 1 1 19 19 ASN N N 19 119.300 119.300 117.985 1.315 18345 1686 1 12 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.620 -0.030 18345 1687 1 12 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.911 -0.711 18345 1688 1 12 . 1 1 19 19 ASN H H 19 8.001 8.001 7.645 0.356 18345 1689 1 12 . 1 1 20 20 CYS N N 20 117.500 117.500 120.610 -3.110 18345 1690 1 12 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.111 1.400 18345 1691 1 12 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.167 10.233 18345 1692 1 12 . 1 1 20 20 CYS H H 20 7.646 7.646 8.157 -0.511 18345 1693 1 12 . 1 1 21 21 ALA N N 21 121.700 121.700 122.707 -1.007 18345 1694 1 12 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.783 -0.206 18345 1695 1 12 . 1 1 21 21 ALA H H 21 8.851 8.851 8.350 0.501 18345 1696 1 12 . 1 1 22 22 SER N N 22 112.200 112.200 114.705 -2.505 18345 1697 1 12 . 1 1 22 22 SER HA H 22 4.212 4.212 4.123 0.089 18345 1698 1 12 . 1 1 22 22 SER H H 22 8.040 8.040 7.774 0.266 18345 1699 1 12 . 1 1 23 23 VAL N N 23 123.400 123.400 122.227 1.173 18345 1700 1 12 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.770 0.072 18345 1701 1 12 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.878 1.122 18345 1702 1 12 . 1 1 23 23 VAL H H 23 7.940 7.940 8.592 -0.652 18345 1703 1 12 . 1 1 24 24 CYS N N 24 121.400 121.400 120.587 0.813 18345 1704 1 12 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.039 0.675 18345 1705 1 12 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.646 12.754 18345 1706 1 12 . 1 1 24 24 CYS H H 24 9.188 9.188 8.223 0.965 18345 1707 1 12 . 1 1 25 25 GLN N N 25 120.500 120.500 118.372 2.128 18345 1708 1 12 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.883 2.217 18345 1709 1 12 . 1 1 25 25 GLN H H 25 8.414 8.414 8.504 -0.090 18345 1710 1 12 . 1 1 26 26 THR N N 26 114.500 114.500 111.590 2.910 18345 1711 1 12 . 1 1 26 26 THR HA H 26 4.527 4.527 4.168 0.359 18345 1712 1 12 . 1 1 26 26 THR H H 26 8.084 8.084 8.161 -0.077 18345 1713 1 12 . 1 1 27 27 GLU N N 27 122.100 122.100 120.889 1.211 18345 1714 1 12 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.271 0.170 18345 1715 1 12 . 1 1 27 27 GLU H H 27 7.705 7.705 7.961 -0.256 18345 1716 1 12 . 1 1 28 28 ARG N N 28 109.500 109.500 116.776 -7.276 18345 1717 1 12 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.528 -0.605 18345 1718 1 12 . 1 1 28 28 ARG H H 28 7.817 7.817 8.085 -0.268 18345 1719 1 12 . 1 1 29 29 PHE N N 29 117.700 117.700 125.515 -7.815 18345 1720 1 12 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.405 0.581 18345 1721 1 12 . 1 1 29 29 PHE H H 29 7.945 7.945 9.036 -1.091 18345 1722 1 12 . 1 1 30 30 SER N N 30 113.100 113.100 122.499 -9.399 18345 1723 1 12 . 1 1 30 30 SER HA H 30 4.590 4.590 4.769 -0.179 18345 1724 1 12 . 1 1 30 30 SER H H 30 8.660 8.660 7.581 1.079 18345 1725 1 12 . 1 1 31 31 GLY N N 31 107.500 107.500 111.583 -4.083 18345 1726 1 12 . 1 1 31 31 GLY H H 31 7.746 7.746 8.388 -0.642 18345 1727 1 12 . 1 1 32 32 GLY N N 32 107.300 107.300 111.113 -3.813 18345 1728 1 12 . 1 1 32 32 GLY H H 32 7.985 7.985 8.018 -0.033 18345 1729 1 12 . 1 1 33 33 ARG N N 33 115.400 115.400 121.757 -6.357 18345 1730 1 12 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.797 -0.384 18345 1731 1 12 . 1 1 33 33 ARG CB C 33 32.800 32.800 33.733 -0.933 18345 1732 1 12 . 1 1 33 33 ARG H H 33 8.935 8.935 9.159 -0.224 18345 1733 1 12 . 1 1 34 34 CYS N N 34 120.200 120.200 118.548 1.652 18345 1734 1 12 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.129 0.306 18345 1735 1 12 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.694 7.006 18345 1736 1 12 . 1 1 34 34 CYS H H 34 8.831 8.831 8.414 0.417 18345 1737 1 12 . 1 1 35 35 ARG N N 35 121.700 121.700 125.567 -3.867 18345 1738 1 12 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.666 0.024 18345 1739 1 12 . 1 1 35 35 ARG H H 35 9.507 9.507 8.554 0.953 18345 1740 1 12 . 1 1 36 36 GLY N N 36 109.200 109.200 114.974 -5.774 18345 1741 1 12 . 1 1 36 36 GLY H H 36 8.466 8.466 8.715 -0.249 18345 1742 1 12 . 1 1 37 37 PHE N N 37 121.700 121.700 118.704 2.996 18345 1743 1 12 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.659 -0.238 18345 1744 1 12 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.167 -0.567 18345 1745 1 12 . 1 1 37 37 PHE H H 37 8.530 8.530 8.062 0.468 18345 1746 1 12 . 1 1 38 38 ARG N N 38 118.500 118.500 122.298 -3.798 18345 1747 1 12 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.212 -0.417 18345 1748 1 12 . 1 1 38 38 ARG H H 38 8.023 8.023 8.387 -0.364 18345 1749 1 12 . 1 1 39 39 ARG N N 39 117.500 117.500 117.354 0.146 18345 1750 1 12 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.324 -0.162 18345 1751 1 12 . 1 1 39 39 ARG H H 39 8.222 8.222 8.400 -0.178 18345 1752 1 12 . 1 1 40 40 ARG N N 40 122.500 122.500 122.628 -0.128 18345 1753 1 12 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.519 0.073 18345 1754 1 12 . 1 1 40 40 ARG H H 40 8.292 8.292 8.072 0.220 18345 1755 1 12 . 1 1 41 41 CYS N N 41 120.100 120.100 121.686 -1.586 18345 1756 1 12 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.254 -0.537 18345 1757 1 12 . 1 1 41 41 CYS CB C 41 35.200 35.200 30.446 4.754 18345 1758 1 12 . 1 1 41 41 CYS H H 41 9.320 9.320 8.616 0.704 18345 1759 1 12 . 1 1 42 42 PHE N N 42 130.000 130.000 123.295 6.705 18345 1760 1 12 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.264 -0.779 18345 1761 1 12 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.287 -1.787 18345 1762 1 12 . 1 1 42 42 PHE H H 42 8.910 8.910 9.004 -0.094 18345 1763 1 12 . 1 1 43 43 CYS N N 43 120.900 120.900 122.603 -1.703 18345 1764 1 12 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.438 -0.046 18345 1765 1 12 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.919 5.281 18345 1766 1 12 . 1 1 43 43 CYS H H 43 8.819 8.819 9.083 -0.264 18345 1767 1 12 . 1 1 44 44 THR N N 44 115.200 115.200 115.948 -0.748 18345 1768 1 12 . 1 1 44 44 THR HA H 44 5.029 5.029 5.579 -0.550 18345 1769 1 12 . 1 1 44 44 THR H H 44 8.420 8.420 9.002 -0.582 18345 1770 1 12 . 1 1 45 45 THR N N 45 116.900 116.900 116.847 0.053 18345 1771 1 12 . 1 1 45 45 THR HA H 45 4.849 4.849 4.924 -0.075 18345 1772 1 12 . 1 1 45 45 THR H H 45 8.538 8.538 8.940 -0.402 18345 1773 1 12 . 1 1 46 46 HIS N N 46 121.800 121.800 120.447 1.353 18345 1774 1 12 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.300 -0.229 18345 1775 1 12 . 1 1 46 46 HIS CB C 46 28.700 28.700 28.733 -0.032 18345 1776 1 12 . 1 1 46 46 HIS H H 46 8.548 8.548 8.728 -0.180 18345 1777 1 13 . 1 1 2 2 THR N N 2 118.700 118.700 119.267 -0.567 18345 1778 1 13 . 1 1 2 2 THR HA H 2 4.847 4.847 4.605 0.242 18345 1779 1 13 . 1 1 2 2 THR H H 2 8.842 8.842 8.209 0.633 18345 1780 1 13 . 1 1 3 3 CYS N N 3 125.400 125.400 126.038 -0.638 18345 1781 1 13 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.659 0.306 18345 1782 1 13 . 1 1 3 3 CYS CB C 3 41.700 41.700 26.985 14.715 18345 1783 1 13 . 1 1 3 3 CYS H H 3 8.950 8.950 8.781 0.169 18345 1784 1 13 . 1 1 4 4 GLU N N 4 120.200 120.200 126.172 -5.972 18345 1785 1 13 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.415 0.155 18345 1786 1 13 . 1 1 4 4 GLU H H 4 8.550 8.550 8.764 -0.214 18345 1787 1 13 . 1 1 5 5 SER N N 5 116.000 116.000 119.367 -3.367 18345 1788 1 13 . 1 1 5 5 SER HA H 5 4.660 4.660 4.827 -0.167 18345 1789 1 13 . 1 1 5 5 SER H H 5 8.748 8.748 9.150 -0.402 18345 1790 1 13 . 1 1 6 6 GLN N N 6 127.200 127.200 120.215 6.985 18345 1791 1 13 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.073 -0.715 18345 1792 1 13 . 1 1 6 6 GLN H H 6 8.993 8.993 8.441 0.552 18345 1793 1 13 . 1 1 7 7 SER N N 7 119.400 119.400 120.756 -1.356 18345 1794 1 13 . 1 1 7 7 SER HA H 7 4.291 4.291 4.647 -0.356 18345 1795 1 13 . 1 1 7 7 SER H H 7 8.165 8.165 8.257 -0.092 18345 1796 1 13 . 1 1 8 8 HIS N N 8 128.400 128.400 122.728 5.672 18345 1797 1 13 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.790 0.018 18345 1798 1 13 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.541 -0.442 18345 1799 1 13 . 1 1 8 8 HIS H H 8 10.500 10.500 8.359 2.141 18345 1800 1 13 . 1 1 9 9 LYS N N 9 119.100 119.100 119.519 -0.419 18345 1801 1 13 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.095 0.189 18345 1802 1 13 . 1 1 9 9 LYS H H 9 8.401 8.401 7.759 0.642 18345 1803 1 13 . 1 1 10 10 PHE N N 10 121.700 121.700 120.815 0.885 18345 1804 1 13 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.398 -0.434 18345 1805 1 13 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.426 -1.426 18345 1806 1 13 . 1 1 10 10 PHE H H 10 8.324 8.324 7.630 0.694 18345 1807 1 13 . 1 1 11 11 LYS N N 11 129.000 129.000 126.027 2.973 18345 1808 1 13 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.063 0.569 18345 1809 1 13 . 1 1 11 11 LYS CB C 11 35.100 35.100 30.068 5.032 18345 1810 1 13 . 1 1 11 11 LYS H H 11 7.905 7.905 7.514 0.391 18345 1811 1 13 . 1 1 12 12 GLY N N 12 110.000 110.000 112.462 -2.462 18345 1812 1 13 . 1 1 12 12 GLY H H 12 8.425 8.425 8.185 0.240 18345 1813 1 13 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.665 -0.135 18345 1814 1 13 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.513 -0.613 18345 1815 1 13 . 1 1 14 14 CYS N N 14 125.200 125.200 120.220 4.980 18345 1816 1 13 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.321 0.407 18345 1817 1 13 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.995 8.105 18345 1818 1 13 . 1 1 14 14 CYS H H 14 8.626 8.626 8.379 0.247 18345 1819 1 13 . 1 1 15 15 ALA N N 15 130.100 130.100 130.032 0.068 18345 1820 1 13 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.324 0.262 18345 1821 1 13 . 1 1 15 15 ALA H H 15 8.735 8.735 8.596 0.139 18345 1822 1 13 . 1 1 16 16 SER N N 16 112.400 112.400 112.696 -0.296 18345 1823 1 13 . 1 1 16 16 SER HA H 16 4.812 4.812 4.558 0.254 18345 1824 1 13 . 1 1 16 16 SER H H 16 7.673 7.673 7.617 0.056 18345 1825 1 13 . 1 1 17 17 ASP N N 17 130.800 130.800 130.551 0.249 18345 1826 1 13 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.268 0.072 18345 1827 1 13 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.468 -0.268 18345 1828 1 13 . 1 1 17 17 ASP H H 17 9.211 9.211 8.840 0.371 18345 1829 1 13 . 1 1 18 18 HIS N N 18 117.100 117.100 120.254 -3.154 18345 1830 1 13 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.240 0.191 18345 1831 1 13 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.219 -2.119 18345 1832 1 13 . 1 1 18 18 HIS H H 18 8.714 8.714 8.043 0.671 18345 1833 1 13 . 1 1 19 19 ASN N N 19 119.300 119.300 118.166 1.134 18345 1834 1 13 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.484 0.106 18345 1835 1 13 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.551 -0.351 18345 1836 1 13 . 1 1 19 19 ASN H H 19 8.001 8.001 7.804 0.197 18345 1837 1 13 . 1 1 20 20 CYS N N 20 117.500 117.500 119.972 -2.472 18345 1838 1 13 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.578 0.933 18345 1839 1 13 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.034 10.366 18345 1840 1 13 . 1 1 20 20 CYS H H 20 7.646 7.646 8.008 -0.362 18345 1841 1 13 . 1 1 21 21 ALA N N 21 121.700 121.700 123.051 -1.351 18345 1842 1 13 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.793 -0.216 18345 1843 1 13 . 1 1 21 21 ALA H H 21 8.851 8.851 8.383 0.468 18345 1844 1 13 . 1 1 22 22 SER N N 22 112.200 112.200 114.657 -2.457 18345 1845 1 13 . 1 1 22 22 SER HA H 22 4.212 4.212 4.250 -0.038 18345 1846 1 13 . 1 1 22 22 SER H H 22 8.040 8.040 7.880 0.160 18345 1847 1 13 . 1 1 23 23 VAL N N 23 123.400 123.400 122.866 0.534 18345 1848 1 13 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.627 0.215 18345 1849 1 13 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.700 0.300 18345 1850 1 13 . 1 1 23 23 VAL H H 23 7.940 7.940 8.426 -0.486 18345 1851 1 13 . 1 1 24 24 CYS N N 24 121.400 121.400 119.288 2.112 18345 1852 1 13 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.136 0.578 18345 1853 1 13 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.548 12.852 18345 1854 1 13 . 1 1 24 24 CYS H H 24 9.188 9.188 8.108 1.080 18345 1855 1 13 . 1 1 25 25 GLN N N 25 120.500 120.500 118.532 1.968 18345 1856 1 13 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.081 2.019 18345 1857 1 13 . 1 1 25 25 GLN H H 25 8.414 8.414 8.460 -0.046 18345 1858 1 13 . 1 1 26 26 THR N N 26 114.500 114.500 110.657 3.843 18345 1859 1 13 . 1 1 26 26 THR HA H 26 4.527 4.527 4.147 0.380 18345 1860 1 13 . 1 1 26 26 THR H H 26 8.084 8.084 7.869 0.215 18345 1861 1 13 . 1 1 27 27 GLU N N 27 122.100 122.100 121.556 0.544 18345 1862 1 13 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.141 0.300 18345 1863 1 13 . 1 1 27 27 GLU H H 27 7.705 7.705 8.088 -0.383 18345 1864 1 13 . 1 1 28 28 ARG N N 28 109.500 109.500 114.586 -5.086 18345 1865 1 13 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.519 -0.596 18345 1866 1 13 . 1 1 28 28 ARG H H 28 7.817 7.817 7.730 0.087 18345 1867 1 13 . 1 1 29 29 PHE N N 29 117.700 117.700 121.812 -4.112 18345 1868 1 13 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.386 0.600 18345 1869 1 13 . 1 1 29 29 PHE H H 29 7.945 7.945 8.752 -0.807 18345 1870 1 13 . 1 1 30 30 SER N N 30 113.100 113.100 123.344 -10.244 18345 1871 1 13 . 1 1 30 30 SER HA H 30 4.590 4.590 4.334 0.256 18345 1872 1 13 . 1 1 30 30 SER H H 30 8.660 8.660 7.619 1.041 18345 1873 1 13 . 1 1 31 31 GLY N N 31 107.500 107.500 110.868 -3.368 18345 1874 1 13 . 1 1 31 31 GLY H H 31 7.746 7.746 8.235 -0.489 18345 1875 1 13 . 1 1 32 32 GLY N N 32 107.300 107.300 106.246 1.054 18345 1876 1 13 . 1 1 32 32 GLY H H 32 7.985 7.985 8.050 -0.065 18345 1877 1 13 . 1 1 33 33 ARG N N 33 115.400 115.400 120.598 -5.198 18345 1878 1 13 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.624 -0.211 18345 1879 1 13 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.485 -1.685 18345 1880 1 13 . 1 1 33 33 ARG H H 33 8.935 8.935 8.516 0.419 18345 1881 1 13 . 1 1 34 34 CYS N N 34 120.200 120.200 121.524 -1.324 18345 1882 1 13 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.619 -0.184 18345 1883 1 13 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.433 8.267 18345 1884 1 13 . 1 1 34 34 CYS H H 34 8.831 8.831 8.802 0.029 18345 1885 1 13 . 1 1 35 35 ARG N N 35 121.700 121.700 125.795 -4.095 18345 1886 1 13 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.408 0.282 18345 1887 1 13 . 1 1 35 35 ARG H H 35 9.507 9.507 9.004 0.503 18345 1888 1 13 . 1 1 36 36 GLY N N 36 109.200 109.200 113.103 -3.903 18345 1889 1 13 . 1 1 36 36 GLY H H 36 8.466 8.466 8.806 -0.340 18345 1890 1 13 . 1 1 37 37 PHE N N 37 121.700 121.700 119.937 1.763 18345 1891 1 13 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.076 0.345 18345 1892 1 13 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.790 -0.190 18345 1893 1 13 . 1 1 37 37 PHE H H 37 8.530 8.530 8.556 -0.026 18345 1894 1 13 . 1 1 38 38 ARG N N 38 118.500 118.500 112.926 5.574 18345 1895 1 13 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.982 -0.187 18345 1896 1 13 . 1 1 38 38 ARG H H 38 8.023 8.023 8.183 -0.160 18345 1897 1 13 . 1 1 39 39 ARG N N 39 117.500 117.500 116.832 0.668 18345 1898 1 13 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.238 -0.076 18345 1899 1 13 . 1 1 39 39 ARG H H 39 8.222 8.222 7.646 0.576 18345 1900 1 13 . 1 1 40 40 ARG N N 40 122.500 122.500 117.785 4.715 18345 1901 1 13 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.716 -0.124 18345 1902 1 13 . 1 1 40 40 ARG H H 40 8.292 8.292 7.856 0.436 18345 1903 1 13 . 1 1 41 41 CYS N N 41 120.100 120.100 124.560 -4.460 18345 1904 1 13 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.219 -0.502 18345 1905 1 13 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.304 8.896 18345 1906 1 13 . 1 1 41 41 CYS H H 41 9.320 9.320 9.016 0.304 18345 1907 1 13 . 1 1 42 42 PHE N N 42 130.000 130.000 127.506 2.494 18345 1908 1 13 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.923 -0.438 18345 1909 1 13 . 1 1 42 42 PHE CB C 42 41.500 41.500 44.197 -2.697 18345 1910 1 13 . 1 1 42 42 PHE H H 42 8.910 8.910 9.135 -0.225 18345 1911 1 13 . 1 1 43 43 CYS N N 43 120.900 120.900 119.790 1.110 18345 1912 1 13 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.424 -0.032 18345 1913 1 13 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.028 6.172 18345 1914 1 13 . 1 1 43 43 CYS H H 43 8.819 8.819 8.876 -0.057 18345 1915 1 13 . 1 1 44 44 THR N N 44 115.200 115.200 117.816 -2.616 18345 1916 1 13 . 1 1 44 44 THR HA H 44 5.029 5.029 5.336 -0.307 18345 1917 1 13 . 1 1 44 44 THR H H 44 8.420 8.420 8.868 -0.448 18345 1918 1 13 . 1 1 45 45 THR N N 45 116.900 116.900 117.592 -0.692 18345 1919 1 13 . 1 1 45 45 THR HA H 45 4.849 4.849 4.590 0.259 18345 1920 1 13 . 1 1 45 45 THR H H 45 8.538 8.538 8.886 -0.347 18345 1921 1 13 . 1 1 46 46 HIS N N 46 121.800 121.800 121.838 -0.038 18345 1922 1 13 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.786 0.285 18345 1923 1 13 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.492 -0.792 18345 1924 1 13 . 1 1 46 46 HIS H H 46 8.548 8.548 8.511 0.037 18345 1925 1 14 . 1 1 2 2 THR N N 2 118.700 118.700 123.212 -4.512 18345 1926 1 14 . 1 1 2 2 THR HA H 2 4.847 4.847 4.850 -0.003 18345 1927 1 14 . 1 1 2 2 THR H H 2 8.842 8.842 8.317 0.525 18345 1928 1 14 . 1 1 3 3 CYS N N 3 125.400 125.400 126.336 -0.936 18345 1929 1 14 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.797 0.168 18345 1930 1 14 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.669 12.031 18345 1931 1 14 . 1 1 3 3 CYS H H 3 8.950 8.950 9.035 -0.085 18345 1932 1 14 . 1 1 4 4 GLU N N 4 120.200 120.200 124.402 -4.202 18345 1933 1 14 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.530 0.040 18345 1934 1 14 . 1 1 4 4 GLU H H 4 8.550 8.550 8.727 -0.177 18345 1935 1 14 . 1 1 5 5 SER N N 5 116.000 116.000 119.724 -3.724 18345 1936 1 14 . 1 1 5 5 SER HA H 5 4.660 4.660 4.789 -0.129 18345 1937 1 14 . 1 1 5 5 SER H H 5 8.748 8.748 8.889 -0.141 18345 1938 1 14 . 1 1 6 6 GLN N N 6 127.200 127.200 119.687 7.513 18345 1939 1 14 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.051 -0.693 18345 1940 1 14 . 1 1 6 6 GLN H H 6 8.993 8.993 8.373 0.620 18345 1941 1 14 . 1 1 7 7 SER N N 7 119.400 119.400 118.520 0.880 18345 1942 1 14 . 1 1 7 7 SER HA H 7 4.291 4.291 4.671 -0.380 18345 1943 1 14 . 1 1 7 7 SER H H 7 8.165 8.165 8.595 -0.430 18345 1944 1 14 . 1 1 8 8 HIS N N 8 128.400 128.400 127.717 0.683 18345 1945 1 14 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.542 0.266 18345 1946 1 14 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.201 -1.101 18345 1947 1 14 . 1 1 8 8 HIS H H 8 10.500 10.500 8.649 1.851 18345 1948 1 14 . 1 1 9 9 LYS N N 9 119.100 119.100 118.795 0.305 18345 1949 1 14 . 1 1 9 9 LYS HA H 9 4.284 4.284 3.990 0.294 18345 1950 1 14 . 1 1 9 9 LYS H H 9 8.401 8.401 8.206 0.195 18345 1951 1 14 . 1 1 10 10 PHE N N 10 121.700 121.700 121.424 0.276 18345 1952 1 14 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.297 -0.333 18345 1953 1 14 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.597 -0.597 18345 1954 1 14 . 1 1 10 10 PHE H H 10 8.324 8.324 7.500 0.824 18345 1955 1 14 . 1 1 11 11 LYS N N 11 129.000 129.000 128.026 0.974 18345 1956 1 14 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.288 0.344 18345 1957 1 14 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.959 3.141 18345 1958 1 14 . 1 1 11 11 LYS H H 11 7.905 7.905 7.707 0.198 18345 1959 1 14 . 1 1 12 12 GLY N N 12 110.000 110.000 113.262 -3.262 18345 1960 1 14 . 1 1 12 12 GLY H H 12 8.425 8.425 7.838 0.587 18345 1961 1 14 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.931 -0.401 18345 1962 1 14 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.333 -0.433 18345 1963 1 14 . 1 1 14 14 CYS N N 14 125.200 125.200 119.700 5.500 18345 1964 1 14 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.393 0.335 18345 1965 1 14 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.642 8.458 18345 1966 1 14 . 1 1 14 14 CYS H H 14 8.626 8.626 8.665 -0.039 18345 1967 1 14 . 1 1 15 15 ALA N N 15 130.100 130.100 126.692 3.408 18345 1968 1 14 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.142 0.444 18345 1969 1 14 . 1 1 15 15 ALA H H 15 8.735 8.735 8.497 0.238 18345 1970 1 14 . 1 1 16 16 SER N N 16 112.400 112.400 114.637 -2.237 18345 1971 1 14 . 1 1 16 16 SER HA H 16 4.812 4.812 4.769 0.043 18345 1972 1 14 . 1 1 16 16 SER H H 16 7.673 7.673 7.919 -0.246 18345 1973 1 14 . 1 1 17 17 ASP N N 17 130.800 130.800 128.669 2.131 18345 1974 1 14 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.224 0.116 18345 1975 1 14 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.437 -0.237 18345 1976 1 14 . 1 1 17 17 ASP H H 17 9.211 9.211 9.060 0.151 18345 1977 1 14 . 1 1 18 18 HIS N N 18 117.100 117.100 119.561 -2.461 18345 1978 1 14 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.234 0.197 18345 1979 1 14 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.002 -1.902 18345 1980 1 14 . 1 1 18 18 HIS H H 18 8.714 8.714 8.449 0.265 18345 1981 1 14 . 1 1 19 19 ASN N N 19 119.300 119.300 118.287 1.013 18345 1982 1 14 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.529 0.061 18345 1983 1 14 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.458 -0.258 18345 1984 1 14 . 1 1 19 19 ASN H H 19 8.001 8.001 8.447 -0.446 18345 1985 1 14 . 1 1 20 20 CYS N N 20 117.500 117.500 119.736 -2.236 18345 1986 1 14 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.800 0.711 18345 1987 1 14 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.179 10.221 18345 1988 1 14 . 1 1 20 20 CYS H H 20 7.646 7.646 8.139 -0.493 18345 1989 1 14 . 1 1 21 21 ALA N N 21 121.700 121.700 122.807 -1.107 18345 1990 1 14 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.910 -0.333 18345 1991 1 14 . 1 1 21 21 ALA H H 21 8.851 8.851 8.291 0.560 18345 1992 1 14 . 1 1 22 22 SER N N 22 112.200 112.200 114.345 -2.145 18345 1993 1 14 . 1 1 22 22 SER HA H 22 4.212 4.212 4.077 0.135 18345 1994 1 14 . 1 1 22 22 SER H H 22 8.040 8.040 7.913 0.127 18345 1995 1 14 . 1 1 23 23 VAL N N 23 123.400 123.400 122.424 0.976 18345 1996 1 14 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.734 0.108 18345 1997 1 14 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.392 0.608 18345 1998 1 14 . 1 1 23 23 VAL H H 23 7.940 7.940 8.564 -0.624 18345 1999 1 14 . 1 1 24 24 CYS N N 24 121.400 121.400 120.643 0.757 18345 2000 1 14 . 1 1 24 24 CYS HA H 24 4.714 4.714 3.997 0.717 18345 2001 1 14 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.692 12.708 18345 2002 1 14 . 1 1 24 24 CYS H H 24 9.188 9.188 8.332 0.856 18345 2003 1 14 . 1 1 25 25 GLN N N 25 120.500 120.500 118.285 2.215 18345 2004 1 14 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.606 2.494 18345 2005 1 14 . 1 1 25 25 GLN H H 25 8.414 8.414 8.426 -0.012 18345 2006 1 14 . 1 1 26 26 THR N N 26 114.500 114.500 108.879 5.621 18345 2007 1 14 . 1 1 26 26 THR HA H 26 4.527 4.527 4.144 0.383 18345 2008 1 14 . 1 1 26 26 THR H H 26 8.084 8.084 7.989 0.095 18345 2009 1 14 . 1 1 27 27 GLU N N 27 122.100 122.100 122.085 0.015 18345 2010 1 14 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.158 0.283 18345 2011 1 14 . 1 1 27 27 GLU H H 27 7.705 7.705 8.074 -0.369 18345 2012 1 14 . 1 1 28 28 ARG N N 28 109.500 109.500 116.694 -7.194 18345 2013 1 14 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.220 -0.297 18345 2014 1 14 . 1 1 28 28 ARG H H 28 7.817 7.817 7.871 -0.054 18345 2015 1 14 . 1 1 29 29 PHE N N 29 117.700 117.700 120.619 -2.919 18345 2016 1 14 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.638 0.348 18345 2017 1 14 . 1 1 29 29 PHE H H 29 7.945 7.945 8.614 -0.669 18345 2018 1 14 . 1 1 30 30 SER N N 30 113.100 113.100 116.818 -3.718 18345 2019 1 14 . 1 1 30 30 SER HA H 30 4.590 4.590 4.888 -0.298 18345 2020 1 14 . 1 1 30 30 SER H H 30 8.660 8.660 7.852 0.808 18345 2021 1 14 . 1 1 31 31 GLY N N 31 107.500 107.500 111.284 -3.784 18345 2022 1 14 . 1 1 31 31 GLY H H 31 7.746 7.746 8.580 -0.834 18345 2023 1 14 . 1 1 32 32 GLY N N 32 107.300 107.300 110.556 -3.256 18345 2024 1 14 . 1 1 32 32 GLY H H 32 7.985 7.985 8.098 -0.113 18345 2025 1 14 . 1 1 33 33 ARG N N 33 115.400 115.400 121.005 -5.605 18345 2026 1 14 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.699 -0.286 18345 2027 1 14 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.903 -2.103 18345 2028 1 14 . 1 1 33 33 ARG H H 33 8.935 8.935 8.941 -0.006 18345 2029 1 14 . 1 1 34 34 CYS N N 34 120.200 120.200 118.512 1.688 18345 2030 1 14 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.403 0.032 18345 2031 1 14 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.127 8.573 18345 2032 1 14 . 1 1 34 34 CYS H H 34 8.831 8.831 8.462 0.369 18345 2033 1 14 . 1 1 35 35 ARG N N 35 121.700 121.700 125.258 -3.558 18345 2034 1 14 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.482 0.208 18345 2035 1 14 . 1 1 35 35 ARG H H 35 9.507 9.507 9.150 0.357 18345 2036 1 14 . 1 1 36 36 GLY N N 36 109.200 109.200 112.669 -3.469 18345 2037 1 14 . 1 1 36 36 GLY H H 36 8.466 8.466 8.009 0.457 18345 2038 1 14 . 1 1 37 37 PHE N N 37 121.700 121.700 119.903 1.797 18345 2039 1 14 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.448 -0.027 18345 2040 1 14 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.148 -0.548 18345 2041 1 14 . 1 1 37 37 PHE H H 37 8.530 8.530 8.499 0.031 18345 2042 1 14 . 1 1 38 38 ARG N N 38 118.500 118.500 118.375 0.125 18345 2043 1 14 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.398 -0.603 18345 2044 1 14 . 1 1 38 38 ARG H H 38 8.023 8.023 8.009 0.014 18345 2045 1 14 . 1 1 39 39 ARG N N 39 117.500 117.500 119.309 -1.809 18345 2046 1 14 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.832 0.330 18345 2047 1 14 . 1 1 39 39 ARG H H 39 8.222 8.222 7.678 0.544 18345 2048 1 14 . 1 1 40 40 ARG N N 40 122.500 122.500 120.016 2.484 18345 2049 1 14 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.560 0.032 18345 2050 1 14 . 1 1 40 40 ARG H H 40 8.292 8.292 7.760 0.532 18345 2051 1 14 . 1 1 41 41 CYS N N 41 120.100 120.100 124.806 -4.706 18345 2052 1 14 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.757 -0.040 18345 2053 1 14 . 1 1 41 41 CYS CB C 41 35.200 35.200 25.812 9.388 18345 2054 1 14 . 1 1 41 41 CYS H H 41 9.320 9.320 9.006 0.314 18345 2055 1 14 . 1 1 42 42 PHE N N 42 130.000 130.000 124.854 5.146 18345 2056 1 14 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.957 -0.472 18345 2057 1 14 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.082 -1.582 18345 2058 1 14 . 1 1 42 42 PHE H H 42 8.910 8.910 9.240 -0.330 18345 2059 1 14 . 1 1 43 43 CYS N N 43 120.900 120.900 120.798 0.102 18345 2060 1 14 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.739 -0.347 18345 2061 1 14 . 1 1 43 43 CYS CB C 43 36.200 36.200 31.581 4.619 18345 2062 1 14 . 1 1 43 43 CYS H H 43 8.819 8.819 8.993 -0.174 18345 2063 1 14 . 1 1 44 44 THR N N 44 115.200 115.200 115.634 -0.434 18345 2064 1 14 . 1 1 44 44 THR HA H 44 5.029 5.029 5.427 -0.398 18345 2065 1 14 . 1 1 44 44 THR H H 44 8.420 8.420 9.039 -0.619 18345 2066 1 14 . 1 1 45 45 THR N N 45 116.900 116.900 117.613 -0.713 18345 2067 1 14 . 1 1 45 45 THR HA H 45 4.849 4.849 4.728 0.121 18345 2068 1 14 . 1 1 45 45 THR H H 45 8.538 8.538 9.010 -0.472 18345 2069 1 14 . 1 1 46 46 HIS N N 46 121.800 121.800 119.992 1.808 18345 2070 1 14 . 1 1 46 46 HIS HA H 46 5.071 5.071 5.203 -0.132 18345 2071 1 14 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.910 -2.210 18345 2072 1 14 . 1 1 46 46 HIS H H 46 8.548 8.548 8.632 -0.083 18345 2073 1 15 . 1 1 2 2 THR N N 2 118.700 118.700 118.643 0.057 18345 2074 1 15 . 1 1 2 2 THR HA H 2 4.847 4.847 4.839 0.008 18345 2075 1 15 . 1 1 2 2 THR H H 2 8.842 8.842 8.354 0.488 18345 2076 1 15 . 1 1 3 3 CYS N N 3 125.400 125.400 125.847 -0.447 18345 2077 1 15 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.713 0.252 18345 2078 1 15 . 1 1 3 3 CYS CB C 3 41.700 41.700 28.246 13.454 18345 2079 1 15 . 1 1 3 3 CYS H H 3 8.950 8.950 9.157 -0.207 18345 2080 1 15 . 1 1 4 4 GLU N N 4 120.200 120.200 126.724 -6.524 18345 2081 1 15 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.346 0.224 18345 2082 1 15 . 1 1 4 4 GLU H H 4 8.550 8.550 8.858 -0.308 18345 2083 1 15 . 1 1 5 5 SER N N 5 116.000 116.000 120.873 -4.873 18345 2084 1 15 . 1 1 5 5 SER HA H 5 4.660 4.660 4.932 -0.272 18345 2085 1 15 . 1 1 5 5 SER H H 5 8.748 8.748 8.968 -0.220 18345 2086 1 15 . 1 1 6 6 GLN N N 6 127.200 127.200 119.923 7.277 18345 2087 1 15 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.464 -1.106 18345 2088 1 15 . 1 1 6 6 GLN H H 6 8.993 8.993 8.408 0.585 18345 2089 1 15 . 1 1 7 7 SER N N 7 119.400 119.400 120.858 -1.458 18345 2090 1 15 . 1 1 7 7 SER HA H 7 4.291 4.291 4.690 -0.399 18345 2091 1 15 . 1 1 7 7 SER H H 7 8.165 8.165 8.449 -0.284 18345 2092 1 15 . 1 1 8 8 HIS N N 8 128.400 128.400 124.546 3.854 18345 2093 1 15 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.570 0.238 18345 2094 1 15 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.247 -1.147 18345 2095 1 15 . 1 1 8 8 HIS H H 8 10.500 10.500 8.593 1.907 18345 2096 1 15 . 1 1 9 9 LYS N N 9 119.100 119.100 118.811 0.289 18345 2097 1 15 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.063 0.221 18345 2098 1 15 . 1 1 9 9 LYS H H 9 8.401 8.401 8.247 0.154 18345 2099 1 15 . 1 1 10 10 PHE N N 10 121.700 121.700 121.567 0.133 18345 2100 1 15 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.379 -0.415 18345 2101 1 15 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.606 -0.606 18345 2102 1 15 . 1 1 10 10 PHE H H 10 8.324 8.324 7.592 0.732 18345 2103 1 15 . 1 1 11 11 LYS N N 11 129.000 129.000 129.568 -0.568 18345 2104 1 15 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.279 0.353 18345 2105 1 15 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.447 2.653 18345 2106 1 15 . 1 1 11 11 LYS H H 11 7.905 7.905 8.077 -0.172 18345 2107 1 15 . 1 1 12 12 GLY N N 12 110.000 110.000 114.953 -4.953 18345 2108 1 15 . 1 1 12 12 GLY H H 12 8.425 8.425 8.105 0.320 18345 2109 1 15 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.653 -0.123 18345 2110 1 15 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.685 -0.785 18345 2111 1 15 . 1 1 14 14 CYS N N 14 125.200 125.200 119.898 5.302 18345 2112 1 15 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.113 0.615 18345 2113 1 15 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.591 8.509 18345 2114 1 15 . 1 1 14 14 CYS H H 14 8.626 8.626 8.380 0.246 18345 2115 1 15 . 1 1 15 15 ALA N N 15 130.100 130.100 127.595 2.505 18345 2116 1 15 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.175 0.411 18345 2117 1 15 . 1 1 15 15 ALA H H 15 8.735 8.735 8.315 0.420 18345 2118 1 15 . 1 1 16 16 SER N N 16 112.400 112.400 112.529 -0.129 18345 2119 1 15 . 1 1 16 16 SER HA H 16 4.812 4.812 4.676 0.136 18345 2120 1 15 . 1 1 16 16 SER H H 16 7.673 7.673 7.927 -0.254 18345 2121 1 15 . 1 1 17 17 ASP N N 17 130.800 130.800 130.522 0.278 18345 2122 1 15 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.319 0.021 18345 2123 1 15 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.881 -0.681 18345 2124 1 15 . 1 1 17 17 ASP H H 17 9.211 9.211 8.980 0.231 18345 2125 1 15 . 1 1 18 18 HIS N N 18 117.100 117.100 119.125 -2.025 18345 2126 1 15 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.299 0.132 18345 2127 1 15 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.112 -2.012 18345 2128 1 15 . 1 1 18 18 HIS H H 18 8.714 8.714 7.848 0.866 18345 2129 1 15 . 1 1 19 19 ASN N N 19 119.300 119.300 117.602 1.698 18345 2130 1 15 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.484 0.106 18345 2131 1 15 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.565 -0.365 18345 2132 1 15 . 1 1 19 19 ASN H H 19 8.001 8.001 7.869 0.132 18345 2133 1 15 . 1 1 20 20 CYS N N 20 117.500 117.500 119.717 -2.217 18345 2134 1 15 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.719 0.792 18345 2135 1 15 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.170 10.230 18345 2136 1 15 . 1 1 20 20 CYS H H 20 7.646 7.646 8.103 -0.457 18345 2137 1 15 . 1 1 21 21 ALA N N 21 121.700 121.700 122.983 -1.283 18345 2138 1 15 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.827 -0.250 18345 2139 1 15 . 1 1 21 21 ALA H H 21 8.851 8.851 8.310 0.541 18345 2140 1 15 . 1 1 22 22 SER N N 22 112.200 112.200 114.627 -2.427 18345 2141 1 15 . 1 1 22 22 SER HA H 22 4.212 4.212 4.317 -0.105 18345 2142 1 15 . 1 1 22 22 SER H H 22 8.040 8.040 8.065 -0.025 18345 2143 1 15 . 1 1 23 23 VAL N N 23 123.400 123.400 123.353 0.047 18345 2144 1 15 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.763 0.079 18345 2145 1 15 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.037 0.963 18345 2146 1 15 . 1 1 23 23 VAL H H 23 7.940 7.940 8.190 -0.250 18345 2147 1 15 . 1 1 24 24 CYS N N 24 121.400 121.400 118.874 2.526 18345 2148 1 15 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.068 0.646 18345 2149 1 15 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.543 12.857 18345 2150 1 15 . 1 1 24 24 CYS H H 24 9.188 9.188 8.233 0.955 18345 2151 1 15 . 1 1 25 25 GLN N N 25 120.500 120.500 117.604 2.896 18345 2152 1 15 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.832 2.268 18345 2153 1 15 . 1 1 25 25 GLN H H 25 8.414 8.414 8.163 0.251 18345 2154 1 15 . 1 1 26 26 THR N N 26 114.500 114.500 110.137 4.363 18345 2155 1 15 . 1 1 26 26 THR HA H 26 4.527 4.527 4.092 0.435 18345 2156 1 15 . 1 1 26 26 THR H H 26 8.084 8.084 7.927 0.157 18345 2157 1 15 . 1 1 27 27 GLU N N 27 122.100 122.100 122.321 -0.221 18345 2158 1 15 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.143 0.298 18345 2159 1 15 . 1 1 27 27 GLU H H 27 7.705 7.705 8.107 -0.402 18345 2160 1 15 . 1 1 28 28 ARG N N 28 109.500 109.500 115.298 -5.798 18345 2161 1 15 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.216 -0.293 18345 2162 1 15 . 1 1 28 28 ARG H H 28 7.817 7.817 7.675 0.142 18345 2163 1 15 . 1 1 29 29 PHE N N 29 117.700 117.700 120.319 -2.619 18345 2164 1 15 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.464 0.522 18345 2165 1 15 . 1 1 29 29 PHE H H 29 7.945 7.945 8.467 -0.522 18345 2166 1 15 . 1 1 30 30 SER N N 30 113.100 113.100 117.584 -4.484 18345 2167 1 15 . 1 1 30 30 SER HA H 30 4.590 4.590 4.778 -0.188 18345 2168 1 15 . 1 1 30 30 SER H H 30 8.660 8.660 7.965 0.695 18345 2169 1 15 . 1 1 31 31 GLY N N 31 107.500 107.500 111.031 -3.531 18345 2170 1 15 . 1 1 31 31 GLY H H 31 7.746 7.746 8.431 -0.685 18345 2171 1 15 . 1 1 32 32 GLY N N 32 107.300 107.300 106.096 1.204 18345 2172 1 15 . 1 1 32 32 GLY H H 32 7.985 7.985 8.172 -0.187 18345 2173 1 15 . 1 1 33 33 ARG N N 33 115.400 115.400 118.637 -3.237 18345 2174 1 15 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.710 -0.297 18345 2175 1 15 . 1 1 33 33 ARG CB C 33 32.800 32.800 33.254 -0.454 18345 2176 1 15 . 1 1 33 33 ARG H H 33 8.935 8.935 8.961 -0.026 18345 2177 1 15 . 1 1 34 34 CYS N N 34 120.200 120.200 121.891 -1.691 18345 2178 1 15 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.604 -0.169 18345 2179 1 15 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.299 9.401 18345 2180 1 15 . 1 1 34 34 CYS H H 34 8.831 8.831 9.089 -0.258 18345 2181 1 15 . 1 1 35 35 ARG N N 35 121.700 121.700 125.443 -3.743 18345 2182 1 15 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.646 0.044 18345 2183 1 15 . 1 1 35 35 ARG H H 35 9.507 9.507 9.069 0.438 18345 2184 1 15 . 1 1 36 36 GLY N N 36 109.200 109.200 111.206 -2.006 18345 2185 1 15 . 1 1 36 36 GLY H H 36 8.466 8.466 7.901 0.565 18345 2186 1 15 . 1 1 37 37 PHE N N 37 121.700 121.700 120.001 1.699 18345 2187 1 15 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.458 -0.037 18345 2188 1 15 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.173 -0.573 18345 2189 1 15 . 1 1 37 37 PHE H H 37 8.530 8.530 8.245 0.285 18345 2190 1 15 . 1 1 38 38 ARG N N 38 118.500 118.500 118.254 0.246 18345 2191 1 15 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.325 -0.530 18345 2192 1 15 . 1 1 38 38 ARG H H 38 8.023 8.023 8.058 -0.035 18345 2193 1 15 . 1 1 39 39 ARG N N 39 117.500 117.500 117.956 -0.456 18345 2194 1 15 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.950 0.212 18345 2195 1 15 . 1 1 39 39 ARG H H 39 8.222 8.222 7.879 0.343 18345 2196 1 15 . 1 1 40 40 ARG N N 40 122.500 122.500 120.373 2.127 18345 2197 1 15 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.508 0.084 18345 2198 1 15 . 1 1 40 40 ARG H H 40 8.292 8.292 7.770 0.522 18345 2199 1 15 . 1 1 41 41 CYS N N 41 120.100 120.100 123.621 -3.521 18345 2200 1 15 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.571 0.146 18345 2201 1 15 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.068 9.132 18345 2202 1 15 . 1 1 41 41 CYS H H 41 9.320 9.320 8.884 0.436 18345 2203 1 15 . 1 1 42 42 PHE N N 42 130.000 130.000 124.428 5.572 18345 2204 1 15 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.242 -0.757 18345 2205 1 15 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.532 -2.033 18345 2206 1 15 . 1 1 42 42 PHE H H 42 8.910 8.910 9.361 -0.451 18345 2207 1 15 . 1 1 43 43 CYS N N 43 120.900 120.900 121.013 -0.113 18345 2208 1 15 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.442 -0.050 18345 2209 1 15 . 1 1 43 43 CYS CB C 43 36.200 36.200 29.381 6.819 18345 2210 1 15 . 1 1 43 43 CYS H H 43 8.819 8.819 8.865 -0.046 18345 2211 1 15 . 1 1 44 44 THR N N 44 115.200 115.200 117.102 -1.902 18345 2212 1 15 . 1 1 44 44 THR HA H 44 5.029 5.029 5.401 -0.372 18345 2213 1 15 . 1 1 44 44 THR H H 44 8.420 8.420 8.894 -0.474 18345 2214 1 15 . 1 1 45 45 THR N N 45 116.900 116.900 118.188 -1.288 18345 2215 1 15 . 1 1 45 45 THR HA H 45 4.849 4.849 4.721 0.128 18345 2216 1 15 . 1 1 45 45 THR H H 45 8.538 8.538 8.752 -0.214 18345 2217 1 15 . 1 1 46 46 HIS N N 46 121.800 121.800 119.626 2.174 18345 2218 1 15 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.987 0.084 18345 2219 1 15 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.392 -0.692 18345 2220 1 15 . 1 1 46 46 HIS H H 46 8.548 8.548 8.650 -0.102 18345 2221 1 16 . 1 1 2 2 THR N N 2 118.700 118.700 118.965 -0.265 18345 2222 1 16 . 1 1 2 2 THR HA H 2 4.847 4.847 5.008 -0.161 18345 2223 1 16 . 1 1 2 2 THR H H 2 8.842 8.842 8.237 0.605 18345 2224 1 16 . 1 1 3 3 CYS N N 3 125.400 125.400 123.722 1.678 18345 2225 1 16 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.819 0.146 18345 2226 1 16 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.646 12.054 18345 2227 1 16 . 1 1 3 3 CYS H H 3 8.950 8.950 9.189 -0.239 18345 2228 1 16 . 1 1 4 4 GLU N N 4 120.200 120.200 125.102 -4.902 18345 2229 1 16 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.612 -0.042 18345 2230 1 16 . 1 1 4 4 GLU H H 4 8.550 8.550 8.650 -0.100 18345 2231 1 16 . 1 1 5 5 SER N N 5 116.000 116.000 118.456 -2.456 18345 2232 1 16 . 1 1 5 5 SER HA H 5 4.660 4.660 4.907 -0.247 18345 2233 1 16 . 1 1 5 5 SER H H 5 8.748 8.748 8.981 -0.233 18345 2234 1 16 . 1 1 6 6 GLN N N 6 127.200 127.200 120.378 6.822 18345 2235 1 16 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.547 -1.189 18345 2236 1 16 . 1 1 6 6 GLN H H 6 8.993 8.993 8.450 0.543 18345 2237 1 16 . 1 1 7 7 SER N N 7 119.400 119.400 120.560 -1.160 18345 2238 1 16 . 1 1 7 7 SER HA H 7 4.291 4.291 4.715 -0.424 18345 2239 1 16 . 1 1 7 7 SER H H 7 8.165 8.165 8.437 -0.272 18345 2240 1 16 . 1 1 8 8 HIS N N 8 128.400 128.400 126.378 2.022 18345 2241 1 16 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.705 0.103 18345 2242 1 16 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.067 -0.966 18345 2243 1 16 . 1 1 8 8 HIS H H 8 10.500 10.500 8.998 1.502 18345 2244 1 16 . 1 1 9 9 LYS N N 9 119.100 119.100 118.599 0.501 18345 2245 1 16 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.111 0.173 18345 2246 1 16 . 1 1 9 9 LYS H H 9 8.401 8.401 7.565 0.836 18345 2247 1 16 . 1 1 10 10 PHE N N 10 121.700 121.700 119.688 2.012 18345 2248 1 16 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.405 -0.441 18345 2249 1 16 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.353 -1.353 18345 2250 1 16 . 1 1 10 10 PHE H H 10 8.324 8.324 7.811 0.513 18345 2251 1 16 . 1 1 11 11 LYS N N 11 129.000 129.000 123.293 5.707 18345 2252 1 16 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.022 0.610 18345 2253 1 16 . 1 1 11 11 LYS CB C 11 35.100 35.100 29.533 5.567 18345 2254 1 16 . 1 1 11 11 LYS H H 11 7.905 7.905 7.182 0.723 18345 2255 1 16 . 1 1 12 12 GLY N N 12 110.000 110.000 108.686 1.314 18345 2256 1 16 . 1 1 12 12 GLY H H 12 8.425 8.425 7.626 0.799 18345 2257 1 16 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.348 0.182 18345 2258 1 16 . 1 1 13 13 PRO CB C 13 31.900 31.900 30.754 1.146 18345 2259 1 16 . 1 1 14 14 CYS N N 14 125.200 125.200 125.323 -0.123 18345 2260 1 16 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.502 0.226 18345 2261 1 16 . 1 1 14 14 CYS CB C 14 33.100 33.100 27.381 5.719 18345 2262 1 16 . 1 1 14 14 CYS H H 14 8.626 8.626 8.527 0.099 18345 2263 1 16 . 1 1 15 15 ALA N N 15 130.100 130.100 130.453 -0.353 18345 2264 1 16 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.232 0.354 18345 2265 1 16 . 1 1 15 15 ALA H H 15 8.735 8.735 8.632 0.103 18345 2266 1 16 . 1 1 16 16 SER N N 16 112.400 112.400 113.396 -0.996 18345 2267 1 16 . 1 1 16 16 SER HA H 16 4.812 4.812 4.692 0.120 18345 2268 1 16 . 1 1 16 16 SER H H 16 7.673 7.673 7.906 -0.233 18345 2269 1 16 . 1 1 17 17 ASP N N 17 130.800 130.800 128.615 2.185 18345 2270 1 16 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.196 0.144 18345 2271 1 16 . 1 1 17 17 ASP CB C 17 40.200 40.200 41.060 -0.860 18345 2272 1 16 . 1 1 17 17 ASP H H 17 9.211 9.211 9.039 0.172 18345 2273 1 16 . 1 1 18 18 HIS N N 18 117.100 117.100 117.461 -0.361 18345 2274 1 16 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.178 0.254 18345 2275 1 16 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.905 -1.805 18345 2276 1 16 . 1 1 18 18 HIS H H 18 8.714 8.714 8.551 0.163 18345 2277 1 16 . 1 1 19 19 ASN N N 19 119.300 119.300 117.799 1.501 18345 2278 1 16 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.583 0.007 18345 2279 1 16 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.939 0.261 18345 2280 1 16 . 1 1 19 19 ASN H H 19 8.001 8.001 7.646 0.355 18345 2281 1 16 . 1 1 20 20 CYS N N 20 117.500 117.500 119.810 -2.310 18345 2282 1 16 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.494 1.017 18345 2283 1 16 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.005 10.395 18345 2284 1 16 . 1 1 20 20 CYS H H 20 7.646 7.646 7.999 -0.353 18345 2285 1 16 . 1 1 21 21 ALA N N 21 121.700 121.700 123.064 -1.364 18345 2286 1 16 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.783 -0.206 18345 2287 1 16 . 1 1 21 21 ALA H H 21 8.851 8.851 8.508 0.343 18345 2288 1 16 . 1 1 22 22 SER N N 22 112.200 112.200 114.499 -2.299 18345 2289 1 16 . 1 1 22 22 SER HA H 22 4.212 4.212 4.104 0.108 18345 2290 1 16 . 1 1 22 22 SER H H 22 8.040 8.040 8.013 0.027 18345 2291 1 16 . 1 1 23 23 VAL N N 23 123.400 123.400 122.759 0.641 18345 2292 1 16 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.716 0.126 18345 2293 1 16 . 1 1 23 23 VAL CB C 23 32.000 32.000 30.876 1.124 18345 2294 1 16 . 1 1 23 23 VAL H H 23 7.940 7.940 8.223 -0.283 18345 2295 1 16 . 1 1 24 24 CYS N N 24 121.400 121.400 119.305 2.095 18345 2296 1 16 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.127 0.587 18345 2297 1 16 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.681 12.719 18345 2298 1 16 . 1 1 24 24 CYS H H 24 9.188 9.188 8.087 1.101 18345 2299 1 16 . 1 1 25 25 GLN N N 25 120.500 120.500 117.799 2.701 18345 2300 1 16 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.066 2.034 18345 2301 1 16 . 1 1 25 25 GLN H H 25 8.414 8.414 8.346 0.068 18345 2302 1 16 . 1 1 26 26 THR N N 26 114.500 114.500 112.074 2.426 18345 2303 1 16 . 1 1 26 26 THR HA H 26 4.527 4.527 4.158 0.369 18345 2304 1 16 . 1 1 26 26 THR H H 26 8.084 8.084 7.960 0.124 18345 2305 1 16 . 1 1 27 27 GLU N N 27 122.100 122.100 122.438 -0.338 18345 2306 1 16 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.112 0.329 18345 2307 1 16 . 1 1 27 27 GLU H H 27 7.705 7.705 8.127 -0.422 18345 2308 1 16 . 1 1 28 28 ARG N N 28 109.500 109.500 115.014 -5.514 18345 2309 1 16 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.542 -0.619 18345 2310 1 16 . 1 1 28 28 ARG H H 28 7.817 7.817 7.629 0.188 18345 2311 1 16 . 1 1 29 29 PHE N N 29 117.700 117.700 122.842 -5.142 18345 2312 1 16 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.511 0.475 18345 2313 1 16 . 1 1 29 29 PHE H H 29 7.945 7.945 8.771 -0.826 18345 2314 1 16 . 1 1 30 30 SER N N 30 113.100 113.100 122.120 -9.020 18345 2315 1 16 . 1 1 30 30 SER HA H 30 4.590 4.590 4.518 0.072 18345 2316 1 16 . 1 1 30 30 SER H H 30 8.660 8.660 7.676 0.984 18345 2317 1 16 . 1 1 31 31 GLY N N 31 107.500 107.500 110.286 -2.786 18345 2318 1 16 . 1 1 31 31 GLY H H 31 7.746 7.746 8.215 -0.469 18345 2319 1 16 . 1 1 32 32 GLY N N 32 107.300 107.300 108.662 -1.362 18345 2320 1 16 . 1 1 32 32 GLY H H 32 7.985 7.985 8.269 -0.284 18345 2321 1 16 . 1 1 33 33 ARG N N 33 115.400 115.400 121.782 -6.382 18345 2322 1 16 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.942 -0.529 18345 2323 1 16 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.884 -2.084 18345 2324 1 16 . 1 1 33 33 ARG H H 33 8.935 8.935 8.601 0.334 18345 2325 1 16 . 1 1 34 34 CYS N N 34 120.200 120.200 123.664 -3.464 18345 2326 1 16 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.589 -0.154 18345 2327 1 16 . 1 1 34 34 CYS CB C 34 36.700 36.700 26.477 10.223 18345 2328 1 16 . 1 1 34 34 CYS H H 34 8.831 8.831 8.813 0.018 18345 2329 1 16 . 1 1 35 35 ARG N N 35 121.700 121.700 125.643 -3.943 18345 2330 1 16 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.601 0.089 18345 2331 1 16 . 1 1 35 35 ARG H H 35 9.507 9.507 9.194 0.313 18345 2332 1 16 . 1 1 36 36 GLY N N 36 109.200 109.200 111.311 -2.111 18345 2333 1 16 . 1 1 36 36 GLY H H 36 8.466 8.466 8.112 0.354 18345 2334 1 16 . 1 1 37 37 PHE N N 37 121.700 121.700 120.272 1.428 18345 2335 1 16 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.278 0.143 18345 2336 1 16 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.910 -0.310 18345 2337 1 16 . 1 1 37 37 PHE H H 37 8.530 8.530 8.156 0.374 18345 2338 1 16 . 1 1 38 38 ARG N N 38 118.500 118.500 119.110 -0.610 18345 2339 1 16 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.261 -0.466 18345 2340 1 16 . 1 1 38 38 ARG H H 38 8.023 8.023 8.262 -0.239 18345 2341 1 16 . 1 1 39 39 ARG N N 39 117.500 117.500 114.726 2.774 18345 2342 1 16 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.883 0.279 18345 2343 1 16 . 1 1 39 39 ARG H H 39 8.222 8.222 8.156 0.066 18345 2344 1 16 . 1 1 40 40 ARG N N 40 122.500 122.500 119.530 2.970 18345 2345 1 16 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.388 0.204 18345 2346 1 16 . 1 1 40 40 ARG H H 40 8.292 8.292 7.994 0.298 18345 2347 1 16 . 1 1 41 41 CYS N N 41 120.100 120.100 123.742 -3.642 18345 2348 1 16 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.948 -0.231 18345 2349 1 16 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.738 8.462 18345 2350 1 16 . 1 1 41 41 CYS H H 41 9.320 9.320 8.770 0.550 18345 2351 1 16 . 1 1 42 42 PHE N N 42 130.000 130.000 125.062 4.938 18345 2352 1 16 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.330 -0.845 18345 2353 1 16 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.472 -1.972 18345 2354 1 16 . 1 1 42 42 PHE H H 42 8.910 8.910 9.390 -0.480 18345 2355 1 16 . 1 1 43 43 CYS N N 43 120.900 120.900 121.903 -1.003 18345 2356 1 16 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.533 -0.141 18345 2357 1 16 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.102 6.098 18345 2358 1 16 . 1 1 43 43 CYS H H 43 8.819 8.819 9.060 -0.241 18345 2359 1 16 . 1 1 44 44 THR N N 44 115.200 115.200 118.471 -3.271 18345 2360 1 16 . 1 1 44 44 THR HA H 44 5.029 5.029 5.268 -0.239 18345 2361 1 16 . 1 1 44 44 THR H H 44 8.420 8.420 9.060 -0.640 18345 2362 1 16 . 1 1 45 45 THR N N 45 116.900 116.900 118.285 -1.385 18345 2363 1 16 . 1 1 45 45 THR HA H 45 4.849 4.849 4.634 0.215 18345 2364 1 16 . 1 1 45 45 THR H H 45 8.538 8.538 8.972 -0.434 18345 2365 1 16 . 1 1 46 46 HIS N N 46 121.800 121.800 121.631 0.169 18345 2366 1 16 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.965 0.106 18345 2367 1 16 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.145 -1.445 18345 2368 1 16 . 1 1 46 46 HIS H H 46 8.548 8.548 8.767 -0.219 18345 2369 1 17 . 1 1 2 2 THR N N 2 118.700 118.700 119.358 -0.658 18345 2370 1 17 . 1 1 2 2 THR HA H 2 4.847 4.847 4.877 -0.030 18345 2371 1 17 . 1 1 2 2 THR H H 2 8.842 8.842 8.223 0.619 18345 2372 1 17 . 1 1 3 3 CYS N N 3 125.400 125.400 123.274 2.126 18345 2373 1 17 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.862 0.103 18345 2374 1 17 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.714 11.986 18345 2375 1 17 . 1 1 3 3 CYS H H 3 8.950 8.950 9.158 -0.208 18345 2376 1 17 . 1 1 4 4 GLU N N 4 120.200 120.200 122.356 -2.156 18345 2377 1 17 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.495 0.075 18345 2378 1 17 . 1 1 4 4 GLU H H 4 8.550 8.550 8.553 -0.003 18345 2379 1 17 . 1 1 5 5 SER N N 5 116.000 116.000 114.141 1.859 18345 2380 1 17 . 1 1 5 5 SER HA H 5 4.660 4.660 4.724 -0.064 18345 2381 1 17 . 1 1 5 5 SER H H 5 8.748 8.748 8.693 0.055 18345 2382 1 17 . 1 1 6 6 GLN N N 6 127.200 127.200 121.994 5.206 18345 2383 1 17 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.552 -1.194 18345 2384 1 17 . 1 1 6 6 GLN H H 6 8.993 8.993 8.610 0.383 18345 2385 1 17 . 1 1 7 7 SER N N 7 119.400 119.400 123.202 -3.802 18345 2386 1 17 . 1 1 7 7 SER HA H 7 4.291 4.291 4.745 -0.454 18345 2387 1 17 . 1 1 7 7 SER H H 7 8.165 8.165 8.815 -0.650 18345 2388 1 17 . 1 1 8 8 HIS N N 8 128.400 128.400 125.486 2.914 18345 2389 1 17 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.646 0.162 18345 2390 1 17 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.300 -1.200 18345 2391 1 17 . 1 1 8 8 HIS H H 8 10.500 10.500 8.667 1.833 18345 2392 1 17 . 1 1 9 9 LYS N N 9 119.100 119.100 119.210 -0.110 18345 2393 1 17 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.005 0.279 18345 2394 1 17 . 1 1 9 9 LYS H H 9 8.401 8.401 8.174 0.227 18345 2395 1 17 . 1 1 10 10 PHE N N 10 121.700 121.700 120.155 1.545 18345 2396 1 17 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.414 -0.450 18345 2397 1 17 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.123 -0.123 18345 2398 1 17 . 1 1 10 10 PHE H H 10 8.324 8.324 7.919 0.405 18345 2399 1 17 . 1 1 11 11 LYS N N 11 129.000 129.000 128.343 0.657 18345 2400 1 17 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.157 0.475 18345 2401 1 17 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.138 2.962 18345 2402 1 17 . 1 1 11 11 LYS H H 11 7.905 7.905 7.946 -0.041 18345 2403 1 17 . 1 1 12 12 GLY N N 12 110.000 110.000 113.175 -3.175 18345 2404 1 17 . 1 1 12 12 GLY H H 12 8.425 8.425 8.054 0.371 18345 2405 1 17 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.501 0.029 18345 2406 1 17 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.292 -0.392 18345 2407 1 17 . 1 1 14 14 CYS N N 14 125.200 125.200 123.644 1.556 18345 2408 1 17 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.194 0.534 18345 2409 1 17 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.663 7.437 18345 2410 1 17 . 1 1 14 14 CYS H H 14 8.626 8.626 8.493 0.133 18345 2411 1 17 . 1 1 15 15 ALA N N 15 130.100 130.100 130.802 -0.702 18345 2412 1 17 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.173 0.413 18345 2413 1 17 . 1 1 15 15 ALA H H 15 8.735 8.735 8.340 0.395 18345 2414 1 17 . 1 1 16 16 SER N N 16 112.400 112.400 111.837 0.563 18345 2415 1 17 . 1 1 16 16 SER HA H 16 4.812 4.812 4.604 0.208 18345 2416 1 17 . 1 1 16 16 SER H H 16 7.673 7.673 7.718 -0.045 18345 2417 1 17 . 1 1 17 17 ASP N N 17 130.800 130.800 125.786 5.014 18345 2418 1 17 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.217 0.123 18345 2419 1 17 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.717 -0.517 18345 2420 1 17 . 1 1 17 17 ASP H H 17 9.211 9.211 8.929 0.282 18345 2421 1 17 . 1 1 18 18 HIS N N 18 117.100 117.100 117.586 -0.486 18345 2422 1 17 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.151 0.280 18345 2423 1 17 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.904 -1.804 18345 2424 1 17 . 1 1 18 18 HIS H H 18 8.714 8.714 8.462 0.252 18345 2425 1 17 . 1 1 19 19 ASN N N 19 119.300 119.300 117.303 1.997 18345 2426 1 17 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.586 0.004 18345 2427 1 17 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.848 0.352 18345 2428 1 17 . 1 1 19 19 ASN H H 19 8.001 8.001 7.635 0.366 18345 2429 1 17 . 1 1 20 20 CYS N N 20 117.500 117.500 119.914 -2.414 18345 2430 1 17 . 1 1 20 20 CYS HA H 20 4.511 4.511 4.104 0.407 18345 2431 1 17 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.242 10.158 18345 2432 1 17 . 1 1 20 20 CYS H H 20 7.646 7.646 8.020 -0.374 18345 2433 1 17 . 1 1 21 21 ALA N N 21 121.700 121.700 122.829 -1.129 18345 2434 1 17 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.884 -0.307 18345 2435 1 17 . 1 1 21 21 ALA H H 21 8.851 8.851 8.580 0.271 18345 2436 1 17 . 1 1 22 22 SER N N 22 112.200 112.200 114.819 -2.619 18345 2437 1 17 . 1 1 22 22 SER HA H 22 4.212 4.212 4.089 0.123 18345 2438 1 17 . 1 1 22 22 SER H H 22 8.040 8.040 7.857 0.183 18345 2439 1 17 . 1 1 23 23 VAL N N 23 123.400 123.400 122.422 0.978 18345 2440 1 17 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.770 0.072 18345 2441 1 17 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.528 0.472 18345 2442 1 17 . 1 1 23 23 VAL H H 23 7.940 7.940 8.244 -0.304 18345 2443 1 17 . 1 1 24 24 CYS N N 24 121.400 121.400 120.039 1.361 18345 2444 1 17 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.014 0.700 18345 2445 1 17 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.665 12.735 18345 2446 1 17 . 1 1 24 24 CYS H H 24 9.188 9.188 8.272 0.916 18345 2447 1 17 . 1 1 25 25 GLN N N 25 120.500 120.500 117.984 2.516 18345 2448 1 17 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.022 2.078 18345 2449 1 17 . 1 1 25 25 GLN H H 25 8.414 8.414 8.324 0.090 18345 2450 1 17 . 1 1 26 26 THR N N 26 114.500 114.500 110.498 4.002 18345 2451 1 17 . 1 1 26 26 THR HA H 26 4.527 4.527 4.134 0.393 18345 2452 1 17 . 1 1 26 26 THR H H 26 8.084 8.084 7.906 0.178 18345 2453 1 17 . 1 1 27 27 GLU N N 27 122.100 122.100 122.346 -0.246 18345 2454 1 17 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.211 0.230 18345 2455 1 17 . 1 1 27 27 GLU H H 27 7.705 7.705 8.120 -0.415 18345 2456 1 17 . 1 1 28 28 ARG N N 28 109.500 109.500 115.871 -6.371 18345 2457 1 17 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.589 -0.666 18345 2458 1 17 . 1 1 28 28 ARG H H 28 7.817 7.817 8.026 -0.209 18345 2459 1 17 . 1 1 29 29 PHE N N 29 117.700 117.700 122.324 -4.624 18345 2460 1 17 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.444 0.542 18345 2461 1 17 . 1 1 29 29 PHE H H 29 7.945 7.945 8.769 -0.824 18345 2462 1 17 . 1 1 30 30 SER N N 30 113.100 113.100 121.725 -8.625 18345 2463 1 17 . 1 1 30 30 SER HA H 30 4.590 4.590 4.677 -0.087 18345 2464 1 17 . 1 1 30 30 SER H H 30 8.660 8.660 7.631 1.029 18345 2465 1 17 . 1 1 31 31 GLY N N 31 107.500 107.500 110.203 -2.703 18345 2466 1 17 . 1 1 31 31 GLY H H 31 7.746 7.746 8.258 -0.512 18345 2467 1 17 . 1 1 32 32 GLY N N 32 107.300 107.300 108.290 -0.990 18345 2468 1 17 . 1 1 32 32 GLY H H 32 7.985 7.985 8.145 -0.160 18345 2469 1 17 . 1 1 33 33 ARG N N 33 115.400 115.400 121.136 -5.736 18345 2470 1 17 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.768 -0.355 18345 2471 1 17 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.738 -1.938 18345 2472 1 17 . 1 1 33 33 ARG H H 33 8.935 8.935 8.632 0.303 18345 2473 1 17 . 1 1 34 34 CYS N N 34 120.200 120.200 123.147 -2.947 18345 2474 1 17 . 1 1 34 34 CYS HA H 34 5.435 5.435 4.801 0.634 18345 2475 1 17 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.758 8.942 18345 2476 1 17 . 1 1 34 34 CYS H H 34 8.831 8.831 8.734 0.097 18345 2477 1 17 . 1 1 35 35 ARG N N 35 121.700 121.700 126.939 -5.239 18345 2478 1 17 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.698 -0.008 18345 2479 1 17 . 1 1 35 35 ARG H H 35 9.507 9.507 8.902 0.605 18345 2480 1 17 . 1 1 36 36 GLY N N 36 109.200 109.200 107.695 1.505 18345 2481 1 17 . 1 1 36 36 GLY H H 36 8.466 8.466 8.790 -0.324 18345 2482 1 17 . 1 1 37 37 PHE N N 37 121.700 121.700 117.891 3.809 18345 2483 1 17 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.071 0.350 18345 2484 1 17 . 1 1 37 37 PHE CB C 37 38.600 38.600 38.602 -0.002 18345 2485 1 17 . 1 1 37 37 PHE H H 37 8.530 8.530 8.458 0.072 18345 2486 1 17 . 1 1 38 38 ARG N N 38 118.500 118.500 113.157 5.343 18345 2487 1 17 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.761 0.034 18345 2488 1 17 . 1 1 38 38 ARG H H 38 8.023 8.023 8.476 -0.453 18345 2489 1 17 . 1 1 39 39 ARG N N 39 117.500 117.500 115.636 1.864 18345 2490 1 17 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.546 -0.384 18345 2491 1 17 . 1 1 39 39 ARG H H 39 8.222 8.222 7.752 0.470 18345 2492 1 17 . 1 1 40 40 ARG N N 40 122.500 122.500 121.796 0.704 18345 2493 1 17 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.561 0.031 18345 2494 1 17 . 1 1 40 40 ARG H H 40 8.292 8.292 8.216 0.076 18345 2495 1 17 . 1 1 41 41 CYS N N 41 120.100 120.100 125.228 -5.128 18345 2496 1 17 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.007 -0.290 18345 2497 1 17 . 1 1 41 41 CYS CB C 41 35.200 35.200 27.675 7.525 18345 2498 1 17 . 1 1 41 41 CYS H H 41 9.320 9.320 8.923 0.397 18345 2499 1 17 . 1 1 42 42 PHE N N 42 130.000 130.000 126.581 3.419 18345 2500 1 17 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.357 -0.872 18345 2501 1 17 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.350 -1.850 18345 2502 1 17 . 1 1 42 42 PHE H H 42 8.910 8.910 9.193 -0.283 18345 2503 1 17 . 1 1 43 43 CYS N N 43 120.900 120.900 118.737 2.163 18345 2504 1 17 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.781 -0.389 18345 2505 1 17 . 1 1 43 43 CYS CB C 43 36.200 36.200 32.169 4.031 18345 2506 1 17 . 1 1 43 43 CYS H H 43 8.819 8.819 9.102 -0.283 18345 2507 1 17 . 1 1 44 44 THR N N 44 115.200 115.200 115.242 -0.042 18345 2508 1 17 . 1 1 44 44 THR HA H 44 5.029 5.029 5.370 -0.341 18345 2509 1 17 . 1 1 44 44 THR H H 44 8.420 8.420 9.079 -0.659 18345 2510 1 17 . 1 1 45 45 THR N N 45 116.900 116.900 118.693 -1.793 18345 2511 1 17 . 1 1 45 45 THR HA H 45 4.849 4.849 4.802 0.047 18345 2512 1 17 . 1 1 45 45 THR H H 45 8.538 8.538 9.087 -0.549 18345 2513 1 17 . 1 1 46 46 HIS N N 46 121.800 121.800 124.414 -2.614 18345 2514 1 17 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.928 0.143 18345 2515 1 17 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.108 -1.408 18345 2516 1 17 . 1 1 46 46 HIS H H 46 8.548 8.548 8.927 -0.379 18345 2517 1 18 . 1 1 2 2 THR N N 2 118.700 118.700 117.251 1.449 18345 2518 1 18 . 1 1 2 2 THR HA H 2 4.847 4.847 4.653 0.194 18345 2519 1 18 . 1 1 2 2 THR H H 2 8.842 8.842 8.348 0.494 18345 2520 1 18 . 1 1 3 3 CYS N N 3 125.400 125.400 125.922 -0.522 18345 2521 1 18 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.729 0.236 18345 2522 1 18 . 1 1 3 3 CYS CB C 3 41.700 41.700 27.709 13.991 18345 2523 1 18 . 1 1 3 3 CYS H H 3 8.950 8.950 8.858 0.092 18345 2524 1 18 . 1 1 4 4 GLU N N 4 120.200 120.200 125.880 -5.680 18345 2525 1 18 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.459 0.111 18345 2526 1 18 . 1 1 4 4 GLU H H 4 8.550 8.550 8.841 -0.291 18345 2527 1 18 . 1 1 5 5 SER N N 5 116.000 116.000 119.310 -3.310 18345 2528 1 18 . 1 1 5 5 SER HA H 5 4.660 4.660 4.801 -0.141 18345 2529 1 18 . 1 1 5 5 SER H H 5 8.748 8.748 9.027 -0.279 18345 2530 1 18 . 1 1 6 6 GLN N N 6 127.200 127.200 119.393 7.807 18345 2531 1 18 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.251 -0.893 18345 2532 1 18 . 1 1 6 6 GLN H H 6 8.993 8.993 8.326 0.667 18345 2533 1 18 . 1 1 7 7 SER N N 7 119.400 119.400 119.179 0.221 18345 2534 1 18 . 1 1 7 7 SER HA H 7 4.291 4.291 4.662 -0.371 18345 2535 1 18 . 1 1 7 7 SER H H 7 8.165 8.165 8.265 -0.100 18345 2536 1 18 . 1 1 8 8 HIS N N 8 128.400 128.400 124.014 4.386 18345 2537 1 18 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.616 0.192 18345 2538 1 18 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.902 -0.802 18345 2539 1 18 . 1 1 8 8 HIS H H 8 10.500 10.500 8.592 1.908 18345 2540 1 18 . 1 1 9 9 LYS N N 9 119.100 119.100 118.146 0.954 18345 2541 1 18 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.291 -0.007 18345 2542 1 18 . 1 1 9 9 LYS H H 9 8.401 8.401 8.369 0.032 18345 2543 1 18 . 1 1 10 10 PHE N N 10 121.700 121.700 120.090 1.610 18345 2544 1 18 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.467 -0.503 18345 2545 1 18 . 1 1 10 10 PHE CB C 10 39.000 39.000 40.217 -1.217 18345 2546 1 18 . 1 1 10 10 PHE H H 10 8.324 8.324 7.799 0.525 18345 2547 1 18 . 1 1 11 11 LYS N N 11 129.000 129.000 128.141 0.859 18345 2548 1 18 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.104 0.528 18345 2549 1 18 . 1 1 11 11 LYS CB C 11 35.100 35.100 30.763 4.337 18345 2550 1 18 . 1 1 11 11 LYS H H 11 7.905 7.905 7.518 0.387 18345 2551 1 18 . 1 1 12 12 GLY N N 12 110.000 110.000 114.244 -4.244 18345 2552 1 18 . 1 1 12 12 GLY H H 12 8.425 8.425 7.767 0.658 18345 2553 1 18 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.564 -0.034 18345 2554 1 18 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.788 -0.887 18345 2555 1 18 . 1 1 14 14 CYS N N 14 125.200 125.200 118.811 6.389 18345 2556 1 18 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.297 0.431 18345 2557 1 18 . 1 1 14 14 CYS CB C 14 33.100 33.100 24.564 8.536 18345 2558 1 18 . 1 1 14 14 CYS H H 14 8.626 8.626 8.100 0.526 18345 2559 1 18 . 1 1 15 15 ALA N N 15 130.100 130.100 128.257 1.843 18345 2560 1 18 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.278 0.308 18345 2561 1 18 . 1 1 15 15 ALA H H 15 8.735 8.735 8.782 -0.047 18345 2562 1 18 . 1 1 16 16 SER N N 16 112.400 112.400 112.844 -0.444 18345 2563 1 18 . 1 1 16 16 SER HA H 16 4.812 4.812 4.782 0.030 18345 2564 1 18 . 1 1 16 16 SER H H 16 7.673 7.673 8.018 -0.345 18345 2565 1 18 . 1 1 17 17 ASP N N 17 130.800 130.800 128.103 2.697 18345 2566 1 18 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.252 0.088 18345 2567 1 18 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.651 -0.451 18345 2568 1 18 . 1 1 17 17 ASP H H 17 9.211 9.211 8.955 0.256 18345 2569 1 18 . 1 1 18 18 HIS N N 18 117.100 117.100 118.696 -1.596 18345 2570 1 18 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.307 0.124 18345 2571 1 18 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.980 -1.880 18345 2572 1 18 . 1 1 18 18 HIS H H 18 8.714 8.714 8.458 0.256 18345 2573 1 18 . 1 1 19 19 ASN N N 19 119.300 119.300 118.332 0.968 18345 2574 1 18 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.537 0.053 18345 2575 1 18 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.123 0.077 18345 2576 1 18 . 1 1 19 19 ASN H H 19 8.001 8.001 8.415 -0.414 18345 2577 1 18 . 1 1 20 20 CYS N N 20 117.500 117.500 119.827 -2.327 18345 2578 1 18 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.352 1.159 18345 2579 1 18 . 1 1 20 20 CYS CB C 20 35.400 35.400 24.965 10.435 18345 2580 1 18 . 1 1 20 20 CYS H H 20 7.646 7.646 8.241 -0.595 18345 2581 1 18 . 1 1 21 21 ALA N N 21 121.700 121.700 122.918 -1.218 18345 2582 1 18 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.824 -0.246 18345 2583 1 18 . 1 1 21 21 ALA H H 21 8.851 8.851 8.356 0.495 18345 2584 1 18 . 1 1 22 22 SER N N 22 112.200 112.200 114.469 -2.269 18345 2585 1 18 . 1 1 22 22 SER HA H 22 4.212 4.212 4.068 0.144 18345 2586 1 18 . 1 1 22 22 SER H H 22 8.040 8.040 7.794 0.246 18345 2587 1 18 . 1 1 23 23 VAL N N 23 123.400 123.400 122.775 0.625 18345 2588 1 18 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.784 0.058 18345 2589 1 18 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.000 1.000 18345 2590 1 18 . 1 1 23 23 VAL H H 23 7.940 7.940 8.567 -0.627 18345 2591 1 18 . 1 1 24 24 CYS N N 24 121.400 121.400 117.395 4.005 18345 2592 1 18 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.229 0.485 18345 2593 1 18 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.323 13.077 18345 2594 1 18 . 1 1 24 24 CYS H H 24 9.188 9.188 8.260 0.928 18345 2595 1 18 . 1 1 25 25 GLN N N 25 120.500 120.500 119.599 0.901 18345 2596 1 18 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.785 2.315 18345 2597 1 18 . 1 1 25 25 GLN H H 25 8.414 8.414 8.192 0.222 18345 2598 1 18 . 1 1 26 26 THR N N 26 114.500 114.500 109.799 4.701 18345 2599 1 18 . 1 1 26 26 THR HA H 26 4.527 4.527 4.183 0.344 18345 2600 1 18 . 1 1 26 26 THR H H 26 8.084 8.084 7.860 0.224 18345 2601 1 18 . 1 1 27 27 GLU N N 27 122.100 122.100 121.086 1.014 18345 2602 1 18 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.383 0.058 18345 2603 1 18 . 1 1 27 27 GLU H H 27 7.705 7.705 8.073 -0.368 18345 2604 1 18 . 1 1 28 28 ARG N N 28 109.500 109.500 117.630 -8.130 18345 2605 1 18 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.410 -0.487 18345 2606 1 18 . 1 1 28 28 ARG H H 28 7.817 7.817 8.145 -0.328 18345 2607 1 18 . 1 1 29 29 PHE N N 29 117.700 117.700 119.185 -1.485 18345 2608 1 18 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.482 0.504 18345 2609 1 18 . 1 1 29 29 PHE H H 29 7.945 7.945 8.228 -0.283 18345 2610 1 18 . 1 1 30 30 SER N N 30 113.100 113.100 113.658 -0.558 18345 2611 1 18 . 1 1 30 30 SER HA H 30 4.590 4.590 4.495 0.095 18345 2612 1 18 . 1 1 30 30 SER H H 30 8.660 8.660 8.096 0.564 18345 2613 1 18 . 1 1 31 31 GLY N N 31 107.500 107.500 108.410 -0.910 18345 2614 1 18 . 1 1 31 31 GLY H H 31 7.746 7.746 8.065 -0.319 18345 2615 1 18 . 1 1 32 32 GLY N N 32 107.300 107.300 107.631 -0.331 18345 2616 1 18 . 1 1 32 32 GLY H H 32 7.985 7.985 7.959 0.026 18345 2617 1 18 . 1 1 33 33 ARG N N 33 115.400 115.400 117.934 -2.534 18345 2618 1 18 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.606 -0.193 18345 2619 1 18 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.356 -1.556 18345 2620 1 18 . 1 1 33 33 ARG H H 33 8.935 8.935 8.739 0.196 18345 2621 1 18 . 1 1 34 34 CYS N N 34 120.200 120.200 123.062 -2.862 18345 2622 1 18 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.815 -0.380 18345 2623 1 18 . 1 1 34 34 CYS CB C 34 36.700 36.700 29.060 7.640 18345 2624 1 18 . 1 1 34 34 CYS H H 34 8.831 8.831 8.654 0.177 18345 2625 1 18 . 1 1 35 35 ARG N N 35 121.700 121.700 125.858 -4.158 18345 2626 1 18 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.552 0.138 18345 2627 1 18 . 1 1 35 35 ARG H H 35 9.507 9.507 9.125 0.382 18345 2628 1 18 . 1 1 36 36 GLY N N 36 109.200 109.200 111.130 -1.930 18345 2629 1 18 . 1 1 36 36 GLY H H 36 8.466 8.466 8.344 0.122 18345 2630 1 18 . 1 1 37 37 PHE N N 37 121.700 121.700 125.486 -3.786 18345 2631 1 18 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.394 0.027 18345 2632 1 18 . 1 1 37 37 PHE CB C 37 38.600 38.600 37.954 0.646 18345 2633 1 18 . 1 1 37 37 PHE H H 37 8.530 8.530 8.179 0.351 18345 2634 1 18 . 1 1 38 38 ARG N N 38 118.500 118.500 121.080 -2.580 18345 2635 1 18 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.944 -0.149 18345 2636 1 18 . 1 1 38 38 ARG H H 38 8.023 8.023 8.727 -0.704 18345 2637 1 18 . 1 1 39 39 ARG N N 39 117.500 117.500 117.370 0.130 18345 2638 1 18 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.902 0.260 18345 2639 1 18 . 1 1 39 39 ARG H H 39 8.222 8.222 8.011 0.211 18345 2640 1 18 . 1 1 40 40 ARG N N 40 122.500 122.500 120.191 2.309 18345 2641 1 18 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.599 -0.007 18345 2642 1 18 . 1 1 40 40 ARG H H 40 8.292 8.292 7.880 0.412 18345 2643 1 18 . 1 1 41 41 CYS N N 41 120.100 120.100 121.727 -1.627 18345 2644 1 18 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.916 -0.199 18345 2645 1 18 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.363 8.837 18345 2646 1 18 . 1 1 41 41 CYS H H 41 9.320 9.320 8.656 0.664 18345 2647 1 18 . 1 1 42 42 PHE N N 42 130.000 130.000 125.097 4.903 18345 2648 1 18 . 1 1 42 42 PHE HA H 42 4.485 4.485 4.892 -0.407 18345 2649 1 18 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.498 -1.998 18345 2650 1 18 . 1 1 42 42 PHE H H 42 8.910 8.910 9.322 -0.412 18345 2651 1 18 . 1 1 43 43 CYS N N 43 120.900 120.900 120.521 0.379 18345 2652 1 18 . 1 1 43 43 CYS HA H 43 5.392 5.392 4.857 0.535 18345 2653 1 18 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.613 5.587 18345 2654 1 18 . 1 1 43 43 CYS H H 43 8.819 8.819 8.807 0.012 18345 2655 1 18 . 1 1 44 44 THR N N 44 115.200 115.200 115.705 -0.505 18345 2656 1 18 . 1 1 44 44 THR HA H 44 5.029 5.029 5.385 -0.356 18345 2657 1 18 . 1 1 44 44 THR H H 44 8.420 8.420 9.020 -0.600 18345 2658 1 18 . 1 1 45 45 THR N N 45 116.900 116.900 117.083 -0.183 18345 2659 1 18 . 1 1 45 45 THR HA H 45 4.849 4.849 4.972 -0.123 18345 2660 1 18 . 1 1 45 45 THR H H 45 8.538 8.538 9.124 -0.586 18345 2661 1 18 . 1 1 46 46 HIS N N 46 121.800 121.800 121.502 0.298 18345 2662 1 18 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.741 0.330 18345 2663 1 18 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.844 -2.144 18345 2664 1 18 . 1 1 46 46 HIS H H 46 8.548 8.548 8.677 -0.129 18345 2665 1 19 . 1 1 2 2 THR N N 2 118.700 118.700 118.689 0.011 18345 2666 1 19 . 1 1 2 2 THR HA H 2 4.847 4.847 5.075 -0.228 18345 2667 1 19 . 1 1 2 2 THR H H 2 8.842 8.842 8.104 0.738 18345 2668 1 19 . 1 1 3 3 CYS N N 3 125.400 125.400 125.035 0.365 18345 2669 1 19 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.870 0.095 18345 2670 1 19 . 1 1 3 3 CYS CB C 3 41.700 41.700 30.366 11.334 18345 2671 1 19 . 1 1 3 3 CYS H H 3 8.950 8.950 9.154 -0.204 18345 2672 1 19 . 1 1 4 4 GLU N N 4 120.200 120.200 121.600 -1.400 18345 2673 1 19 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.661 -0.091 18345 2674 1 19 . 1 1 4 4 GLU H H 4 8.550 8.550 8.562 -0.012 18345 2675 1 19 . 1 1 5 5 SER N N 5 116.000 116.000 114.560 1.440 18345 2676 1 19 . 1 1 5 5 SER HA H 5 4.660 4.660 4.747 -0.087 18345 2677 1 19 . 1 1 5 5 SER H H 5 8.748 8.748 8.772 -0.024 18345 2678 1 19 . 1 1 6 6 GLN N N 6 127.200 127.200 120.932 6.268 18345 2679 1 19 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.070 -0.712 18345 2680 1 19 . 1 1 6 6 GLN H H 6 8.993 8.993 8.360 0.633 18345 2681 1 19 . 1 1 7 7 SER N N 7 119.400 119.400 120.232 -0.832 18345 2682 1 19 . 1 1 7 7 SER HA H 7 4.291 4.291 4.625 -0.334 18345 2683 1 19 . 1 1 7 7 SER H H 7 8.165 8.165 8.509 -0.344 18345 2684 1 19 . 1 1 8 8 HIS N N 8 128.400 128.400 124.402 3.998 18345 2685 1 19 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.793 0.015 18345 2686 1 19 . 1 1 8 8 HIS CB C 8 29.100 29.100 29.660 -0.560 18345 2687 1 19 . 1 1 8 8 HIS H H 8 10.500 10.500 8.444 2.056 18345 2688 1 19 . 1 1 9 9 LYS N N 9 119.100 119.100 121.148 -2.048 18345 2689 1 19 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.078 0.206 18345 2690 1 19 . 1 1 9 9 LYS H H 9 8.401 8.401 7.321 1.080 18345 2691 1 19 . 1 1 10 10 PHE N N 10 121.700 121.700 121.362 0.338 18345 2692 1 19 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.342 -0.378 18345 2693 1 19 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.411 -0.411 18345 2694 1 19 . 1 1 10 10 PHE H H 10 8.324 8.324 7.858 0.466 18345 2695 1 19 . 1 1 11 11 LYS N N 11 129.000 129.000 128.950 0.050 18345 2696 1 19 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.201 0.431 18345 2697 1 19 . 1 1 11 11 LYS CB C 11 35.100 35.100 32.278 2.822 18345 2698 1 19 . 1 1 11 11 LYS H H 11 7.905 7.905 7.981 -0.076 18345 2699 1 19 . 1 1 12 12 GLY N N 12 110.000 110.000 114.220 -4.220 18345 2700 1 19 . 1 1 12 12 GLY H H 12 8.425 8.425 7.927 0.498 18345 2701 1 19 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.457 0.073 18345 2702 1 19 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.259 -0.359 18345 2703 1 19 . 1 1 14 14 CYS N N 14 125.200 125.200 119.499 5.701 18345 2704 1 19 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.596 0.132 18345 2705 1 19 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.035 8.065 18345 2706 1 19 . 1 1 14 14 CYS H H 14 8.626 8.626 8.361 0.265 18345 2707 1 19 . 1 1 15 15 ALA N N 15 130.100 130.100 127.799 2.301 18345 2708 1 19 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.055 0.531 18345 2709 1 19 . 1 1 15 15 ALA H H 15 8.735 8.735 8.317 0.418 18345 2710 1 19 . 1 1 16 16 SER N N 16 112.400 112.400 111.931 0.469 18345 2711 1 19 . 1 1 16 16 SER HA H 16 4.812 4.812 4.701 0.111 18345 2712 1 19 . 1 1 16 16 SER H H 16 7.673 7.673 7.920 -0.247 18345 2713 1 19 . 1 1 17 17 ASP N N 17 130.800 130.800 127.071 3.729 18345 2714 1 19 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.269 0.071 18345 2715 1 19 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.769 -0.569 18345 2716 1 19 . 1 1 17 17 ASP H H 17 9.211 9.211 9.002 0.209 18345 2717 1 19 . 1 1 18 18 HIS N N 18 117.100 117.100 118.911 -1.811 18345 2718 1 19 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.202 0.229 18345 2719 1 19 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.917 -1.817 18345 2720 1 19 . 1 1 18 18 HIS H H 18 8.714 8.714 8.483 0.231 18345 2721 1 19 . 1 1 19 19 ASN N N 19 119.300 119.300 117.424 1.876 18345 2722 1 19 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.579 0.011 18345 2723 1 19 . 1 1 19 19 ASN CB C 19 38.200 38.200 37.996 0.204 18345 2724 1 19 . 1 1 19 19 ASN H H 19 8.001 8.001 7.861 0.140 18345 2725 1 19 . 1 1 20 20 CYS N N 20 117.500 117.500 120.305 -2.805 18345 2726 1 19 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.505 1.006 18345 2727 1 19 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.067 10.334 18345 2728 1 19 . 1 1 20 20 CYS H H 20 7.646 7.646 8.075 -0.429 18345 2729 1 19 . 1 1 21 21 ALA N N 21 121.700 121.700 122.345 -0.645 18345 2730 1 19 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.831 -0.254 18345 2731 1 19 . 1 1 21 21 ALA H H 21 8.851 8.851 8.491 0.360 18345 2732 1 19 . 1 1 22 22 SER N N 22 112.200 112.200 114.677 -2.477 18345 2733 1 19 . 1 1 22 22 SER HA H 22 4.212 4.212 4.120 0.092 18345 2734 1 19 . 1 1 22 22 SER H H 22 8.040 8.040 8.055 -0.015 18345 2735 1 19 . 1 1 23 23 VAL N N 23 123.400 123.400 122.280 1.120 18345 2736 1 19 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.781 0.061 18345 2737 1 19 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.550 0.450 18345 2738 1 19 . 1 1 23 23 VAL H H 23 7.940 7.940 8.295 -0.355 18345 2739 1 19 . 1 1 24 24 CYS N N 24 121.400 121.400 120.470 0.930 18345 2740 1 19 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.014 0.700 18345 2741 1 19 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.285 13.115 18345 2742 1 19 . 1 1 24 24 CYS H H 24 9.188 9.188 8.295 0.893 18345 2743 1 19 . 1 1 25 25 GLN N N 25 120.500 120.500 119.775 0.725 18345 2744 1 19 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.872 2.228 18345 2745 1 19 . 1 1 25 25 GLN H H 25 8.414 8.414 8.267 0.147 18345 2746 1 19 . 1 1 26 26 THR N N 26 114.500 114.500 111.161 3.339 18345 2747 1 19 . 1 1 26 26 THR HA H 26 4.527 4.527 3.505 1.022 18345 2748 1 19 . 1 1 26 26 THR H H 26 8.084 8.084 7.862 0.222 18345 2749 1 19 . 1 1 27 27 GLU N N 27 122.100 122.100 120.783 1.317 18345 2750 1 19 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.161 0.280 18345 2751 1 19 . 1 1 27 27 GLU H H 27 7.705 7.705 7.878 -0.173 18345 2752 1 19 . 1 1 28 28 ARG N N 28 109.500 109.500 118.950 -9.450 18345 2753 1 19 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.564 -0.641 18345 2754 1 19 . 1 1 28 28 ARG H H 28 7.817 7.817 8.127 -0.310 18345 2755 1 19 . 1 1 29 29 PHE N N 29 117.700 117.700 125.423 -7.723 18345 2756 1 19 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.373 0.613 18345 2757 1 19 . 1 1 29 29 PHE H H 29 7.945 7.945 8.904 -0.959 18345 2758 1 19 . 1 1 30 30 SER N N 30 113.100 113.100 119.653 -6.553 18345 2759 1 19 . 1 1 30 30 SER HA H 30 4.590 4.590 4.756 -0.166 18345 2760 1 19 . 1 1 30 30 SER H H 30 8.660 8.660 8.396 0.264 18345 2761 1 19 . 1 1 31 31 GLY N N 31 107.500 107.500 110.041 -2.541 18345 2762 1 19 . 1 1 31 31 GLY H H 31 7.746 7.746 8.290 -0.544 18345 2763 1 19 . 1 1 32 32 GLY N N 32 107.300 107.300 107.988 -0.688 18345 2764 1 19 . 1 1 32 32 GLY H H 32 7.985 7.985 7.950 0.035 18345 2765 1 19 . 1 1 33 33 ARG N N 33 115.400 115.400 120.873 -5.473 18345 2766 1 19 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.616 -0.203 18345 2767 1 19 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.055 -1.255 18345 2768 1 19 . 1 1 33 33 ARG H H 33 8.935 8.935 8.997 -0.062 18345 2769 1 19 . 1 1 34 34 CYS N N 34 120.200 120.200 119.518 0.682 18345 2770 1 19 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.305 0.130 18345 2771 1 19 . 1 1 34 34 CYS CB C 34 36.700 36.700 27.188 9.512 18345 2772 1 19 . 1 1 34 34 CYS H H 34 8.831 8.831 8.690 0.141 18345 2773 1 19 . 1 1 35 35 ARG N N 35 121.700 121.700 126.825 -5.125 18345 2774 1 19 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.454 0.236 18345 2775 1 19 . 1 1 35 35 ARG H H 35 9.507 9.507 9.002 0.505 18345 2776 1 19 . 1 1 36 36 GLY N N 36 109.200 109.200 114.302 -5.102 18345 2777 1 19 . 1 1 36 36 GLY H H 36 8.466 8.466 7.930 0.536 18345 2778 1 19 . 1 1 37 37 PHE N N 37 121.700 121.700 120.981 0.719 18345 2779 1 19 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.442 -0.021 18345 2780 1 19 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.521 -0.921 18345 2781 1 19 . 1 1 37 37 PHE H H 37 8.530 8.530 8.690 -0.160 18345 2782 1 19 . 1 1 38 38 ARG N N 38 118.500 118.500 117.680 0.820 18345 2783 1 19 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.278 -0.483 18345 2784 1 19 . 1 1 38 38 ARG H H 38 8.023 8.023 8.251 -0.228 18345 2785 1 19 . 1 1 39 39 ARG N N 39 117.500 117.500 115.619 1.881 18345 2786 1 19 . 1 1 39 39 ARG HA H 39 4.162 4.162 3.838 0.324 18345 2787 1 19 . 1 1 39 39 ARG H H 39 8.222 8.222 7.636 0.586 18345 2788 1 19 . 1 1 40 40 ARG N N 40 122.500 122.500 119.135 3.365 18345 2789 1 19 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.354 0.238 18345 2790 1 19 . 1 1 40 40 ARG H H 40 8.292 8.292 7.999 0.293 18345 2791 1 19 . 1 1 41 41 CYS N N 41 120.100 120.100 124.238 -4.138 18345 2792 1 19 . 1 1 41 41 CYS HA H 41 4.717 4.717 4.860 -0.143 18345 2793 1 19 . 1 1 41 41 CYS CB C 41 35.200 35.200 26.529 8.671 18345 2794 1 19 . 1 1 41 41 CYS H H 41 9.320 9.320 8.922 0.398 18345 2795 1 19 . 1 1 42 42 PHE N N 42 130.000 130.000 124.537 5.463 18345 2796 1 19 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.253 -0.768 18345 2797 1 19 . 1 1 42 42 PHE CB C 42 41.500 41.500 42.735 -1.235 18345 2798 1 19 . 1 1 42 42 PHE H H 42 8.910 8.910 9.197 -0.287 18345 2799 1 19 . 1 1 43 43 CYS N N 43 120.900 120.900 120.909 -0.009 18345 2800 1 19 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.052 0.340 18345 2801 1 19 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.299 5.902 18345 2802 1 19 . 1 1 43 43 CYS H H 43 8.819 8.819 8.852 -0.033 18345 2803 1 19 . 1 1 44 44 THR N N 44 115.200 115.200 117.596 -2.396 18345 2804 1 19 . 1 1 44 44 THR HA H 44 5.029 5.029 5.332 -0.303 18345 2805 1 19 . 1 1 44 44 THR H H 44 8.420 8.420 9.022 -0.602 18345 2806 1 19 . 1 1 45 45 THR N N 45 116.900 116.900 117.853 -0.953 18345 2807 1 19 . 1 1 45 45 THR HA H 45 4.849 4.849 4.739 0.110 18345 2808 1 19 . 1 1 45 45 THR H H 45 8.538 8.538 8.972 -0.434 18345 2809 1 19 . 1 1 46 46 HIS N N 46 121.800 121.800 125.707 -3.907 18345 2810 1 19 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.635 0.436 18345 2811 1 19 . 1 1 46 46 HIS CB C 46 28.700 28.700 30.183 -1.483 18345 2812 1 19 . 1 1 46 46 HIS H H 46 8.548 8.548 8.668 -0.120 18345 2813 1 20 . 1 1 2 2 THR N N 2 118.700 118.700 120.369 -1.669 18345 2814 1 20 . 1 1 2 2 THR HA H 2 4.847 4.847 4.670 0.177 18345 2815 1 20 . 1 1 2 2 THR H H 2 8.842 8.842 8.249 0.593 18345 2816 1 20 . 1 1 3 3 CYS N N 3 125.400 125.400 128.100 -2.700 18345 2817 1 20 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.797 0.168 18345 2818 1 20 . 1 1 3 3 CYS CB C 3 41.700 41.700 28.614 13.086 18345 2819 1 20 . 1 1 3 3 CYS H H 3 8.950 8.950 8.730 0.220 18345 2820 1 20 . 1 1 4 4 GLU N N 4 120.200 120.200 125.812 -5.612 18345 2821 1 20 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.461 0.109 18345 2822 1 20 . 1 1 4 4 GLU H H 4 8.550 8.550 8.612 -0.062 18345 2823 1 20 . 1 1 5 5 SER N N 5 116.000 116.000 114.430 1.570 18345 2824 1 20 . 1 1 5 5 SER HA H 5 4.660 4.660 4.850 -0.190 18345 2825 1 20 . 1 1 5 5 SER H H 5 8.748 8.748 9.002 -0.254 18345 2826 1 20 . 1 1 6 6 GLN N N 6 127.200 127.200 120.030 7.170 18345 2827 1 20 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.438 -1.080 18345 2828 1 20 . 1 1 6 6 GLN H H 6 8.993 8.993 8.455 0.538 18345 2829 1 20 . 1 1 7 7 SER N N 7 119.400 119.400 120.443 -1.043 18345 2830 1 20 . 1 1 7 7 SER HA H 7 4.291 4.291 4.802 -0.511 18345 2831 1 20 . 1 1 7 7 SER H H 7 8.165 8.165 8.590 -0.425 18345 2832 1 20 . 1 1 8 8 HIS N N 8 128.400 128.400 125.854 2.546 18345 2833 1 20 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.655 0.153 18345 2834 1 20 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.781 -1.681 18345 2835 1 20 . 1 1 8 8 HIS H H 8 10.500 10.500 8.795 1.705 18345 2836 1 20 . 1 1 9 9 LYS N N 9 119.100 119.100 119.557 -0.457 18345 2837 1 20 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.050 0.234 18345 2838 1 20 . 1 1 9 9 LYS H H 9 8.401 8.401 8.146 0.255 18345 2839 1 20 . 1 1 10 10 PHE N N 10 121.700 121.700 119.897 1.803 18345 2840 1 20 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.321 -0.357 18345 2841 1 20 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.876 -0.876 18345 2842 1 20 . 1 1 10 10 PHE H H 10 8.324 8.324 7.845 0.479 18345 2843 1 20 . 1 1 11 11 LYS N N 11 129.000 129.000 127.672 1.328 18345 2844 1 20 . 1 1 11 11 LYS HA H 11 4.632 4.632 3.985 0.647 18345 2845 1 20 . 1 1 11 11 LYS CB C 11 35.100 35.100 29.492 5.608 18345 2846 1 20 . 1 1 11 11 LYS H H 11 7.905 7.905 7.860 0.045 18345 2847 1 20 . 1 1 12 12 GLY N N 12 110.000 110.000 112.559 -2.559 18345 2848 1 20 . 1 1 12 12 GLY H H 12 8.425 8.425 7.731 0.694 18345 2849 1 20 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.350 0.180 18345 2850 1 20 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.500 -0.600 18345 2851 1 20 . 1 1 14 14 CYS N N 14 125.200 125.200 120.940 4.260 18345 2852 1 20 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.231 0.497 18345 2853 1 20 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.691 7.409 18345 2854 1 20 . 1 1 14 14 CYS H H 14 8.626 8.626 8.458 0.168 18345 2855 1 20 . 1 1 15 15 ALA N N 15 130.100 130.100 130.838 -0.738 18345 2856 1 20 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.193 0.393 18345 2857 1 20 . 1 1 15 15 ALA H H 15 8.735 8.735 8.467 0.268 18345 2858 1 20 . 1 1 16 16 SER N N 16 112.400 112.400 109.815 2.585 18345 2859 1 20 . 1 1 16 16 SER HA H 16 4.812 4.812 4.679 0.133 18345 2860 1 20 . 1 1 16 16 SER H H 16 7.673 7.673 7.610 0.063 18345 2861 1 20 . 1 1 17 17 ASP N N 17 130.800 130.800 125.414 5.386 18345 2862 1 20 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.316 0.024 18345 2863 1 20 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.639 -0.439 18345 2864 1 20 . 1 1 17 17 ASP H H 17 9.211 9.211 8.845 0.366 18345 2865 1 20 . 1 1 18 18 HIS N N 18 117.100 117.100 119.005 -1.905 18345 2866 1 20 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.177 0.254 18345 2867 1 20 . 1 1 18 18 HIS CB C 18 28.100 28.100 29.997 -1.897 18345 2868 1 20 . 1 1 18 18 HIS H H 18 8.714 8.714 8.440 0.274 18345 2869 1 20 . 1 1 19 19 ASN N N 19 119.300 119.300 118.115 1.185 18345 2870 1 20 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.374 0.216 18345 2871 1 20 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.569 -0.369 18345 2872 1 20 . 1 1 19 19 ASN H H 19 8.001 8.001 7.513 0.488 18345 2873 1 20 . 1 1 20 20 CYS N N 20 117.500 117.500 119.512 -2.012 18345 2874 1 20 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.383 1.128 18345 2875 1 20 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.052 10.348 18345 2876 1 20 . 1 1 20 20 CYS H H 20 7.646 7.646 7.875 -0.229 18345 2877 1 20 . 1 1 21 21 ALA N N 21 121.700 121.700 122.969 -1.269 18345 2878 1 20 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.900 -0.323 18345 2879 1 20 . 1 1 21 21 ALA H H 21 8.851 8.851 8.616 0.235 18345 2880 1 20 . 1 1 22 22 SER N N 22 112.200 112.200 114.754 -2.554 18345 2881 1 20 . 1 1 22 22 SER HA H 22 4.212 4.212 4.195 0.017 18345 2882 1 20 . 1 1 22 22 SER H H 22 8.040 8.040 7.964 0.076 18345 2883 1 20 . 1 1 23 23 VAL N N 23 123.400 123.400 122.507 0.893 18345 2884 1 20 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.737 0.105 18345 2885 1 20 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.563 0.437 18345 2886 1 20 . 1 1 23 23 VAL H H 23 7.940 7.940 8.275 -0.335 18345 2887 1 20 . 1 1 24 24 CYS N N 24 121.400 121.400 118.756 2.644 18345 2888 1 20 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.041 0.673 18345 2889 1 20 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.821 12.579 18345 2890 1 20 . 1 1 24 24 CYS H H 24 9.188 9.188 8.336 0.852 18345 2891 1 20 . 1 1 25 25 GLN N N 25 120.500 120.500 117.513 2.987 18345 2892 1 20 . 1 1 25 25 GLN CB C 25 31.100 31.100 29.160 1.940 18345 2893 1 20 . 1 1 25 25 GLN H H 25 8.414 8.414 8.348 0.066 18345 2894 1 20 . 1 1 26 26 THR N N 26 114.500 114.500 111.052 3.448 18345 2895 1 20 . 1 1 26 26 THR HA H 26 4.527 4.527 4.131 0.396 18345 2896 1 20 . 1 1 26 26 THR H H 26 8.084 8.084 7.824 0.260 18345 2897 1 20 . 1 1 27 27 GLU N N 27 122.100 122.100 119.274 2.826 18345 2898 1 20 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.291 0.150 18345 2899 1 20 . 1 1 27 27 GLU H H 27 7.705 7.705 8.184 -0.479 18345 2900 1 20 . 1 1 28 28 ARG N N 28 109.500 109.500 117.804 -8.304 18345 2901 1 20 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.435 -0.512 18345 2902 1 20 . 1 1 28 28 ARG H H 28 7.817 7.817 7.833 -0.016 18345 2903 1 20 . 1 1 29 29 PHE N N 29 117.700 117.700 120.507 -2.807 18345 2904 1 20 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.704 0.282 18345 2905 1 20 . 1 1 29 29 PHE H H 29 7.945 7.945 8.707 -0.762 18345 2906 1 20 . 1 1 30 30 SER N N 30 113.100 113.100 117.259 -4.159 18345 2907 1 20 . 1 1 30 30 SER HA H 30 4.590 4.590 4.882 -0.292 18345 2908 1 20 . 1 1 30 30 SER H H 30 8.660 8.660 8.079 0.581 18345 2909 1 20 . 1 1 31 31 GLY N N 31 107.500 107.500 110.516 -3.016 18345 2910 1 20 . 1 1 31 31 GLY H H 31 7.746 7.746 8.669 -0.923 18345 2911 1 20 . 1 1 32 32 GLY N N 32 107.300 107.300 108.681 -1.381 18345 2912 1 20 . 1 1 32 32 GLY H H 32 7.985 7.985 8.256 -0.271 18345 2913 1 20 . 1 1 33 33 ARG N N 33 115.400 115.400 124.114 -8.714 18345 2914 1 20 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.826 -0.413 18345 2915 1 20 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.705 -1.905 18345 2916 1 20 . 1 1 33 33 ARG H H 33 8.935 8.935 9.124 -0.189 18345 2917 1 20 . 1 1 34 34 CYS N N 34 120.200 120.200 119.657 0.543 18345 2918 1 20 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.259 0.176 18345 2919 1 20 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.430 8.270 18345 2920 1 20 . 1 1 34 34 CYS H H 34 8.831 8.831 8.658 0.173 18345 2921 1 20 . 1 1 35 35 ARG N N 35 121.700 121.700 122.200 -0.500 18345 2922 1 20 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.662 0.028 18345 2923 1 20 . 1 1 35 35 ARG H H 35 9.507 9.507 8.949 0.558 18345 2924 1 20 . 1 1 36 36 GLY N N 36 109.200 109.200 108.581 0.619 18345 2925 1 20 . 1 1 36 36 GLY H H 36 8.466 8.466 8.796 -0.330 18345 2926 1 20 . 1 1 37 37 PHE N N 37 121.700 121.700 118.057 3.643 18345 2927 1 20 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.077 0.344 18345 2928 1 20 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.199 -0.599 18345 2929 1 20 . 1 1 37 37 PHE H H 37 8.530 8.530 8.351 0.179 18345 2930 1 20 . 1 1 38 38 ARG N N 38 118.500 118.500 118.502 -0.002 18345 2931 1 20 . 1 1 38 38 ARG HA H 38 3.795 3.795 3.747 0.048 18345 2932 1 20 . 1 1 38 38 ARG H H 38 8.023 8.023 8.648 -0.625 18345 2933 1 20 . 1 1 39 39 ARG N N 39 117.500 117.500 120.180 -2.680 18345 2934 1 20 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.240 -0.078 18345 2935 1 20 . 1 1 39 39 ARG H H 39 8.222 8.222 7.981 0.241 18345 2936 1 20 . 1 1 40 40 ARG N N 40 122.500 122.500 116.481 6.019 18345 2937 1 20 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.650 -0.058 18345 2938 1 20 . 1 1 40 40 ARG H H 40 8.292 8.292 8.297 -0.005 18345 2939 1 20 . 1 1 41 41 CYS N N 41 120.100 120.100 119.792 0.308 18345 2940 1 20 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.294 -0.577 18345 2941 1 20 . 1 1 41 41 CYS CB C 41 35.200 35.200 29.618 5.582 18345 2942 1 20 . 1 1 41 41 CYS H H 41 9.320 9.320 8.595 0.725 18345 2943 1 20 . 1 1 42 42 PHE N N 42 130.000 130.000 124.641 5.359 18345 2944 1 20 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.212 -0.727 18345 2945 1 20 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.916 -2.416 18345 2946 1 20 . 1 1 42 42 PHE H H 42 8.910 8.910 9.214 -0.304 18345 2947 1 20 . 1 1 43 43 CYS N N 43 120.900 120.900 121.876 -0.976 18345 2948 1 20 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.859 -0.467 18345 2949 1 20 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.400 5.800 18345 2950 1 20 . 1 1 43 43 CYS H H 43 8.819 8.819 8.960 -0.141 18345 2951 1 20 . 1 1 44 44 THR N N 44 115.200 115.200 117.640 -2.440 18345 2952 1 20 . 1 1 44 44 THR HA H 44 5.029 5.029 5.060 -0.031 18345 2953 1 20 . 1 1 44 44 THR H H 44 8.420 8.420 9.250 -0.830 18345 2954 1 20 . 1 1 45 45 THR N N 45 116.900 116.900 118.394 -1.494 18345 2955 1 20 . 1 1 45 45 THR HA H 45 4.849 4.849 4.695 0.154 18345 2956 1 20 . 1 1 45 45 THR H H 45 8.538 8.538 8.536 0.002 18345 2957 1 20 . 1 1 46 46 HIS N N 46 121.800 121.800 126.101 -4.301 18345 2958 1 20 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.418 0.653 18345 2959 1 20 . 1 1 46 46 HIS CB C 46 28.700 28.700 28.470 0.231 18345 2960 1 20 . 1 1 46 46 HIS H H 46 8.548 8.548 8.618 -0.070 18345 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 44 3.368 0.306 3.393 18345 2 1 1 "Average Difference" HA 48 0.412 -0.027 0.415 18345 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18345 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18345 5 1 1 "Average Difference" CB 20 5.812 -2.927 5.152 18345 6 1 1 "Average Difference" HN 44 0.480 -0.098 0.475 18345 7 1 2 "Average Difference" N 44 3.881 0.269 3.917 18345 8 1 2 "Average Difference" HA 48 0.476 -0.096 0.471 18345 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18345 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18345 11 1 2 "Average Difference" CB 20 6.123 -3.445 5.193 18345 12 1 2 "Average Difference" HN 44 0.537 -0.125 0.528 18345 13 1 3 "Average Difference" N 44 3.526 0.541 3.524 18345 14 1 3 "Average Difference" HA 48 0.399 -0.034 0.401 18345 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18345 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18345 17 1 3 "Average Difference" CB 20 6.000 -3.127 5.254 18345 18 1 3 "Average Difference" HN 44 0.545 -0.067 0.548 18345 19 1 4 "Average Difference" N 44 3.431 0.011 3.471 18345 20 1 4 "Average Difference" HA 48 0.367 -0.085 0.361 18345 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18345 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18345 23 1 4 "Average Difference" CB 20 6.321 -3.141 5.628 18345 24 1 4 "Average Difference" HN 44 0.459 -0.168 0.432 18345 25 1 5 "Average Difference" N 44 3.310 0.076 3.347 18345 26 1 5 "Average Difference" HA 48 0.404 0.014 0.408 18345 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18345 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18345 29 1 5 "Average Difference" CB 20 5.795 -3.020 5.074 18345 30 1 5 "Average Difference" HN 44 0.535 -0.138 0.523 18345 31 1 6 "Average Difference" N 44 3.307 0.618 3.286 18345 32 1 6 "Average Difference" HA 48 0.357 -0.006 0.361 18345 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18345 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18345 35 1 6 "Average Difference" CB 20 5.567 -2.843 4.910 18345 36 1 6 "Average Difference" HN 44 0.564 -0.087 0.564 18345 37 1 7 "Average Difference" N 44 3.195 -0.039 3.231 18345 38 1 7 "Average Difference" HA 48 0.367 -0.029 0.370 18345 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18345 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18345 41 1 7 "Average Difference" CB 20 5.652 -2.836 5.015 18345 42 1 7 "Average Difference" HN 44 0.557 -0.149 0.543 18345 43 1 8 "Average Difference" N 44 3.794 -0.296 3.826 18345 44 1 8 "Average Difference" HA 48 0.357 -0.035 0.359 18345 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18345 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18345 47 1 8 "Average Difference" CB 20 5.654 -2.945 4.952 18345 48 1 8 "Average Difference" HN 44 0.590 -0.172 0.571 18345 49 1 9 "Average Difference" N 44 3.724 0.681 3.704 18345 50 1 9 "Average Difference" HA 48 0.400 -0.041 0.402 18345 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18345 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18345 53 1 9 "Average Difference" CB 20 5.836 -3.074 5.089 18345 54 1 9 "Average Difference" HN 44 0.487 -0.106 0.481 18345 55 1 10 "Average Difference" N 44 3.655 0.512 3.661 18345 56 1 10 "Average Difference" HA 48 0.411 -0.067 0.410 18345 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18345 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18345 59 1 10 "Average Difference" CB 20 5.849 -3.148 5.057 18345 60 1 10 "Average Difference" HN 44 0.520 -0.112 0.514 18345 61 1 11 "Average Difference" N 44 3.507 0.583 3.498 18345 62 1 11 "Average Difference" HA 48 0.410 -0.050 0.412 18345 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18345 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18345 65 1 11 "Average Difference" CB 20 5.607 -2.745 5.017 18345 66 1 11 "Average Difference" HN 44 0.598 -0.134 0.590 18345 67 1 12 "Average Difference" N 44 3.629 0.753 3.591 18345 68 1 12 "Average Difference" HA 48 0.440 -0.025 0.444 18345 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18345 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18345 71 1 12 "Average Difference" CB 20 5.389 -2.806 4.720 18345 72 1 12 "Average Difference" HN 44 0.542 -0.107 0.538 18345 73 1 13 "Average Difference" N 44 3.479 0.462 3.489 18345 74 1 13 "Average Difference" HA 48 0.367 -0.094 0.359 18345 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18345 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18345 77 1 13 "Average Difference" CB 20 6.277 -3.307 5.474 18345 78 1 13 "Average Difference" HN 44 0.541 -0.172 0.519 18345 79 1 14 "Average Difference" N 44 3.208 0.513 3.203 18345 80 1 14 "Average Difference" HA 48 0.331 -0.034 0.333 18345 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18345 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18345 83 1 14 "Average Difference" CB 20 5.913 -3.063 5.189 18345 84 1 14 "Average Difference" HN 44 0.509 -0.093 0.506 18345 85 1 15 "Average Difference" N 44 3.075 0.392 3.086 18345 86 1 15 "Average Difference" HA 48 0.374 -0.043 0.375 18345 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18345 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18345 89 1 15 "Average Difference" CB 20 6.192 -3.347 5.345 18345 90 1 15 "Average Difference" HN 44 0.501 -0.133 0.488 18345 91 1 16 "Average Difference" N 44 3.209 0.515 3.204 18345 92 1 16 "Average Difference" HA 48 0.414 -0.064 0.413 18345 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18345 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18345 95 1 16 "Average Difference" CB 20 5.984 -3.250 5.154 18345 96 1 16 "Average Difference" HN 44 0.502 -0.127 0.491 18345 97 1 17 "Average Difference" N 44 3.246 0.300 3.269 18345 98 1 17 "Average Difference" HA 48 0.397 -0.048 0.398 18345 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18345 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18345 101 1 17 "Average Difference" CB 20 5.678 -2.972 4.964 18345 102 1 17 "Average Difference" HN 44 0.496 -0.076 0.496 18345 103 1 18 "Average Difference" N 44 3.069 0.108 3.102 18345 104 1 18 "Average Difference" HA 48 0.391 -0.093 0.383 18345 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18345 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18345 107 1 18 "Average Difference" CB 20 6.162 -3.277 5.354 18345 108 1 18 "Average Difference" HN 44 0.505 -0.105 0.500 18345 109 1 19 "Average Difference" N 44 3.495 0.532 3.494 18345 110 1 19 "Average Difference" HA 48 0.388 -0.067 0.386 18345 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18345 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18345 113 1 19 "Average Difference" CB 20 5.901 -3.201 5.085 18345 114 1 19 "Average Difference" HN 44 0.522 -0.125 0.513 18345 115 1 20 "Average Difference" N 44 3.431 0.140 3.468 18345 116 1 20 "Average Difference" HA 48 0.415 -0.075 0.413 18345 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18345 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18345 119 1 20 "Average Difference" CB 20 5.822 -3.025 5.103 18345 120 1 20 "Average Difference" HN 44 0.490 -0.088 0.488 18345 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 18345 _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 THR N N 2 118.700 118.700 119.288 -0.588 18345 2 1 . 1 1 2 2 THR HA H 2 4.847 4.847 4.785 0.062 18345 3 1 . 1 1 2 2 THR H H 2 8.842 8.842 8.240 0.602 18345 4 1 . 1 1 3 3 CYS N N 3 125.400 125.400 125.970 -0.570 18345 5 1 . 1 1 3 3 CYS HA H 3 4.965 4.965 4.798 0.167 18345 6 1 . 1 1 3 3 CYS CB C 3 41.700 41.700 29.303 12.397 18345 7 1 . 1 1 3 3 CYS H H 3 8.950 8.950 9.015 -0.065 18345 8 1 . 1 1 4 4 GLU N N 4 120.200 120.200 124.786 -4.586 18345 9 1 . 1 1 4 4 GLU HA H 4 5.570 5.570 5.517 0.054 18345 10 1 . 1 1 4 4 GLU H H 4 8.550 8.550 8.670 -0.120 18345 11 1 . 1 1 5 5 SER N N 5 116.000 116.000 117.364 -1.364 18345 12 1 . 1 1 5 5 SER HA H 5 4.660 4.660 4.830 -0.170 18345 13 1 . 1 1 5 5 SER H H 5 8.748 8.748 8.948 -0.200 18345 14 1 . 1 1 6 6 GLN N N 6 127.200 127.200 120.024 7.176 18345 15 1 . 1 1 6 6 GLN HA H 6 3.358 3.358 4.318 -0.960 18345 16 1 . 1 1 6 6 GLN H H 6 8.993 8.993 8.414 0.579 18345 17 1 . 1 1 7 7 SER N N 7 119.400 119.400 119.879 -0.479 18345 18 1 . 1 1 7 7 SER HA H 7 4.291 4.291 4.708 -0.416 18345 19 1 . 1 1 7 7 SER H H 7 8.165 8.165 8.506 -0.341 18345 20 1 . 1 1 8 8 HIS N N 8 128.400 128.400 124.074 4.326 18345 21 1 . 1 1 8 8 HIS HA H 8 4.808 4.808 4.725 0.083 18345 22 1 . 1 1 8 8 HIS CB C 8 29.100 29.100 30.111 -1.011 18345 23 1 . 1 1 8 8 HIS H H 8 10.500 10.500 8.570 1.930 18345 24 1 . 1 1 9 9 LYS N N 9 119.100 119.100 119.761 -0.661 18345 25 1 . 1 1 9 9 LYS HA H 9 4.284 4.284 4.126 0.158 18345 26 1 . 1 1 9 9 LYS H H 9 8.401 8.401 7.949 0.452 18345 27 1 . 1 1 10 10 PHE N N 10 121.700 121.700 120.884 0.816 18345 28 1 . 1 1 10 10 PHE HA H 10 3.964 3.964 4.395 -0.431 18345 29 1 . 1 1 10 10 PHE CB C 10 39.000 39.000 39.854 -0.854 18345 30 1 . 1 1 10 10 PHE H H 10 8.324 8.324 7.734 0.590 18345 31 1 . 1 1 11 11 LYS N N 11 129.000 129.000 127.127 1.873 18345 32 1 . 1 1 11 11 LYS HA H 11 4.632 4.632 4.186 0.446 18345 33 1 . 1 1 11 11 LYS CB C 11 35.100 35.100 31.640 3.460 18345 34 1 . 1 1 11 11 LYS H H 11 7.905 7.905 7.746 0.159 18345 35 1 . 1 1 12 12 GLY N N 12 110.000 110.000 113.141 -3.141 18345 36 1 . 1 1 12 12 GLY H H 12 8.425 8.425 7.971 0.454 18345 37 1 . 1 1 13 13 PRO HA H 13 4.530 4.530 4.612 -0.082 18345 38 1 . 1 1 13 13 PRO CB C 13 31.900 31.900 32.289 -0.389 18345 39 1 . 1 1 14 14 CYS N N 14 125.200 125.200 119.567 5.633 18345 40 1 . 1 1 14 14 CYS HA H 14 4.728 4.728 4.410 0.318 18345 41 1 . 1 1 14 14 CYS CB C 14 33.100 33.100 25.425 7.675 18345 42 1 . 1 1 14 14 CYS H H 14 8.626 8.626 8.391 0.235 18345 43 1 . 1 1 15 15 ALA N N 15 130.100 130.100 128.676 1.424 18345 44 1 . 1 1 15 15 ALA HA H 15 4.586 4.586 4.245 0.341 18345 45 1 . 1 1 15 15 ALA H H 15 8.735 8.735 8.512 0.223 18345 46 1 . 1 1 16 16 SER N N 16 112.400 112.400 112.576 -0.176 18345 47 1 . 1 1 16 16 SER HA H 16 4.812 4.812 4.672 0.140 18345 48 1 . 1 1 16 16 SER H H 16 7.673 7.673 7.870 -0.197 18345 49 1 . 1 1 17 17 ASP N N 17 130.800 130.800 127.939 2.861 18345 50 1 . 1 1 17 17 ASP HA H 17 4.340 4.340 4.243 0.097 18345 51 1 . 1 1 17 17 ASP CB C 17 40.200 40.200 40.653 -0.453 18345 52 1 . 1 1 17 17 ASP H H 17 9.211 9.211 8.911 0.300 18345 53 1 . 1 1 18 18 HIS N N 18 117.100 117.100 118.757 -1.657 18345 54 1 . 1 1 18 18 HIS HA H 18 4.431 4.431 4.223 0.208 18345 55 1 . 1 1 18 18 HIS CB C 18 28.100 28.100 30.036 -1.936 18345 56 1 . 1 1 18 18 HIS H H 18 8.714 8.714 8.284 0.430 18345 57 1 . 1 1 19 19 ASN N N 19 119.300 119.300 117.930 1.370 18345 58 1 . 1 1 19 19 ASN HA H 19 4.590 4.590 4.499 0.091 18345 59 1 . 1 1 19 19 ASN CB C 19 38.200 38.200 38.245 -0.045 18345 60 1 . 1 1 19 19 ASN H H 19 8.001 8.001 7.934 0.067 18345 61 1 . 1 1 20 20 CYS N N 20 117.500 117.500 119.683 -2.183 18345 62 1 . 1 1 20 20 CYS HA H 20 4.511 4.511 3.519 0.992 18345 63 1 . 1 1 20 20 CYS CB C 20 35.400 35.400 25.018 10.382 18345 64 1 . 1 1 20 20 CYS H H 20 7.646 7.646 8.032 -0.386 18345 65 1 . 1 1 21 21 ALA N N 21 121.700 121.700 122.955 -1.255 18345 66 1 . 1 1 21 21 ALA HA H 21 3.577 3.577 3.842 -0.265 18345 67 1 . 1 1 21 21 ALA H H 21 8.851 8.851 8.401 0.450 18345 68 1 . 1 1 22 22 SER N N 22 112.200 112.200 114.497 -2.297 18345 69 1 . 1 1 22 22 SER HA H 22 4.212 4.212 4.114 0.098 18345 70 1 . 1 1 22 22 SER H H 22 8.040 8.040 7.911 0.130 18345 71 1 . 1 1 23 23 VAL N N 23 123.400 123.400 122.543 0.857 18345 72 1 . 1 1 23 23 VAL HA H 23 3.842 3.842 3.719 0.124 18345 73 1 . 1 1 23 23 VAL CB C 23 32.000 32.000 31.320 0.680 18345 74 1 . 1 1 23 23 VAL H H 23 7.940 7.940 8.301 -0.361 18345 75 1 . 1 1 24 24 CYS N N 24 121.400 121.400 119.639 1.761 18345 76 1 . 1 1 24 24 CYS HA H 24 4.714 4.714 4.093 0.621 18345 77 1 . 1 1 24 24 CYS CB C 24 38.400 38.400 25.631 12.769 18345 78 1 . 1 1 24 24 CYS H H 24 9.188 9.188 8.220 0.968 18345 79 1 . 1 1 25 25 GLN N N 25 120.500 120.500 118.181 2.319 18345 80 1 . 1 1 25 25 GLN CB C 25 31.100 31.100 28.940 2.160 18345 81 1 . 1 1 25 25 GLN H H 25 8.414 8.414 8.349 0.065 18345 82 1 . 1 1 26 26 THR N N 26 114.500 114.500 110.786 3.714 18345 83 1 . 1 1 26 26 THR HA H 26 4.527 4.527 4.080 0.447 18345 84 1 . 1 1 26 26 THR H H 26 8.084 8.084 7.906 0.178 18345 85 1 . 1 1 27 27 GLU N N 27 122.100 122.100 121.276 0.824 18345 86 1 . 1 1 27 27 GLU HA H 27 4.441 4.441 4.187 0.254 18345 87 1 . 1 1 27 27 GLU H H 27 7.705 7.705 8.066 -0.361 18345 88 1 . 1 1 28 28 ARG N N 28 109.500 109.500 116.690 -7.190 18345 89 1 . 1 1 28 28 ARG HA H 28 3.923 3.923 4.394 -0.471 18345 90 1 . 1 1 28 28 ARG H H 28 7.817 7.817 7.869 -0.052 18345 91 1 . 1 1 29 29 PHE N N 29 117.700 117.700 121.776 -4.076 18345 92 1 . 1 1 29 29 PHE HA H 29 4.986 4.986 4.511 0.475 18345 93 1 . 1 1 29 29 PHE H H 29 7.945 7.945 8.643 -0.698 18345 94 1 . 1 1 30 30 SER N N 30 113.100 113.100 119.001 -5.901 18345 95 1 . 1 1 30 30 SER HA H 30 4.590 4.590 4.724 -0.134 18345 96 1 . 1 1 30 30 SER H H 30 8.660 8.660 7.971 0.689 18345 97 1 . 1 1 31 31 GLY N N 31 107.500 107.500 110.554 -3.054 18345 98 1 . 1 1 31 31 GLY H H 31 7.746 7.746 8.387 -0.641 18345 99 1 . 1 1 32 32 GLY N N 32 107.300 107.300 108.546 -1.246 18345 100 1 . 1 1 32 32 GLY H H 32 7.985 7.985 8.163 -0.178 18345 101 1 . 1 1 33 33 ARG N N 33 115.400 115.400 121.066 -5.666 18345 102 1 . 1 1 33 33 ARG HA H 33 4.413 4.413 4.768 -0.355 18345 103 1 . 1 1 33 33 ARG CB C 33 32.800 32.800 34.332 -1.532 18345 104 1 . 1 1 33 33 ARG H H 33 8.935 8.935 8.858 0.077 18345 105 1 . 1 1 34 34 CYS N N 34 120.200 120.200 120.689 -0.489 18345 106 1 . 1 1 34 34 CYS HA H 34 5.435 5.435 5.408 0.027 18345 107 1 . 1 1 34 34 CYS CB C 34 36.700 36.700 28.273 8.427 18345 108 1 . 1 1 34 34 CYS H H 34 8.831 8.831 8.725 0.106 18345 109 1 . 1 1 35 35 ARG N N 35 121.700 121.700 125.696 -3.996 18345 110 1 . 1 1 35 35 ARG HA H 35 4.690 4.690 4.505 0.184 18345 111 1 . 1 1 35 35 ARG H H 35 9.507 9.507 9.013 0.494 18345 112 1 . 1 1 36 36 GLY N N 36 109.200 109.200 112.058 -2.858 18345 113 1 . 1 1 36 36 GLY H H 36 8.466 8.466 8.260 0.206 18345 114 1 . 1 1 37 37 PHE N N 37 121.700 121.700 120.482 1.218 18345 115 1 . 1 1 37 37 PHE HA H 37 4.421 4.421 4.421 -0.000 18345 116 1 . 1 1 37 37 PHE CB C 37 38.600 38.600 39.214 -0.614 18345 117 1 . 1 1 37 37 PHE H H 37 8.530 8.530 8.296 0.234 18345 118 1 . 1 1 38 38 ARG N N 38 118.500 118.500 118.529 -0.029 18345 119 1 . 1 1 38 38 ARG HA H 38 3.795 3.795 4.235 -0.440 18345 120 1 . 1 1 38 38 ARG H H 38 8.023 8.023 8.296 -0.273 18345 121 1 . 1 1 39 39 ARG N N 39 117.500 117.500 117.764 -0.264 18345 122 1 . 1 1 39 39 ARG HA H 39 4.162 4.162 4.142 0.020 18345 123 1 . 1 1 39 39 ARG H H 39 8.222 8.222 7.926 0.296 18345 124 1 . 1 1 40 40 ARG N N 40 122.500 122.500 119.792 2.708 18345 125 1 . 1 1 40 40 ARG HA H 40 4.592 4.592 4.555 0.037 18345 126 1 . 1 1 40 40 ARG H H 40 8.292 8.292 8.085 0.207 18345 127 1 . 1 1 41 41 CYS N N 41 120.100 120.100 123.043 -2.943 18345 128 1 . 1 1 41 41 CYS HA H 41 4.717 4.717 5.011 -0.294 18345 129 1 . 1 1 41 41 CYS CB C 41 35.200 35.200 27.116 8.084 18345 130 1 . 1 1 41 41 CYS H H 41 9.320 9.320 8.839 0.481 18345 131 1 . 1 1 42 42 PHE N N 42 130.000 130.000 125.482 4.518 18345 132 1 . 1 1 42 42 PHE HA H 42 4.485 4.485 5.129 -0.644 18345 133 1 . 1 1 42 42 PHE CB C 42 41.500 41.500 43.382 -1.882 18345 134 1 . 1 1 42 42 PHE H H 42 8.910 8.910 9.197 -0.287 18345 135 1 . 1 1 43 43 CYS N N 43 120.900 120.900 120.589 0.311 18345 136 1 . 1 1 43 43 CYS HA H 43 5.392 5.392 5.499 -0.107 18345 137 1 . 1 1 43 43 CYS CB C 43 36.200 36.200 30.816 5.384 18345 138 1 . 1 1 43 43 CYS H H 43 8.819 8.819 8.952 -0.133 18345 139 1 . 1 1 44 44 THR N N 44 115.200 115.200 116.795 -1.595 18345 140 1 . 1 1 44 44 THR HA H 44 5.029 5.029 5.337 -0.308 18345 141 1 . 1 1 44 44 THR H H 44 8.420 8.420 9.011 -0.591 18345 142 1 . 1 1 45 45 THR N N 45 116.900 116.900 117.746 -0.846 18345 143 1 . 1 1 45 45 THR HA H 45 4.849 4.849 4.714 0.135 18345 144 1 . 1 1 45 45 THR H H 45 8.538 8.538 8.951 -0.413 18345 145 1 . 1 1 46 46 HIS N N 46 121.800 121.800 121.752 0.048 18345 146 1 . 1 1 46 46 HIS HA H 46 5.071 5.071 4.917 0.154 18345 147 1 . 1 1 46 46 HIS CB C 46 28.700 28.700 29.899 -1.199 18345 148 1 . 1 1 46 46 HIS H H 46 8.548 8.548 8.613 -0.065 18345 stop_ save_